Year 2016-17

Home , Animesh Chakravorty, Biman Bagchi, Biswarup Mukhopadhyaya, Debashis Mukherjee, Deb Shankar Ray, Pradyut Ghosh

110 108.97 96 90

70 60.91 DST 50 WB Govt. 30.23 30 20.93 24.39 Project

10 2.96 4.01 4.13

-10 Grant - 2014-15 Grant - 2015-16 Grant - 2016-17

Budget in 2016-17 : DST – 108.97 crores; WB Government – 4.13 crores

Web of Science Citation Report (On 19th July, 2017)

Result found 1983-2017

No. of Publications : 9939 H Index : 115 Sum of the times cited : 158271 Average citations per item : 15.92 Average citations per year : 4522.03

Performance during the year (2016-17) Publication : 444 Average Impact Factor : 4.4 Ph.D. Degree Awarded : 58 Patent Awarded : 04 Patent Filed : 14 I A C S

ANNUAL REPORT 2016 - 2017

INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE Contents

From the Director’s Desk...... 004

The Past Glory...... 006

The Laurels - Faculty Members...... 012

The Laurels - Research Fellows...... 013

Key Committees...... 014

Executive Summary...... 017

Biological Chemistry...... 022

Centre For Advance Materials...... 031

Director’s Research Unit...... 037

Energy Research Unit...... 041

Inorganic Chemistry...... 045

Materials Science...... 055

Organic Chemistry...... 073 Physical Chemistry...... 081

Polymer Science Unit...... 091

Raman Centre For AtomiC, Molecular And Optical Sciences...... 099

Solid State Physics...... 103

Spectroscopy...... 115

Theoretical Physics...... 121

Emeritus Professors & Senior Scientist...... 133

Technical Research Centre for Molecules and Materials ...... 140

Lectures/Seminars & Colloquia...... 142

Patents Filed/Awarded...... 149

Inter-Institutional Collaboration...... 150

Ph.D. (Science) Degree Awarded and Other Academic Activities...... 151

Annual Accounts Audit Report & Budget...... 185 004 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

From the I am happy to bring to you the Annual Report Director’s of IACS for the year 2016-17. It highlights the research and educational activities of faculty, staff, students, postdocs, and visitors Desk associated with IACS during the year. IACS is committed to translational and interdisciplinary research and capacity building of young researchers on developmental and professional science education. Our philosophy of research and teaching emphasizes reaching out to the society and translating fundamental research to technology and other applications for the need of society. The faculty and students received recognition and awards for its extension, research and teaching in several areas. The Institute also forays into international interactions, task forces and several collaborative exchange programs. In meeting these objectives, the Institute adopts research and teaching methods which are innovative and contemporary, unraveling new potentials of its traditional interdisciplinary systems. ANNUAL REPORT 2016-2017 005

IACS originally started its journey in 1876 primarily as a science status and utilization through an operational ERP, implementing teaching institute and then slowly emerged as a premier research cashless transactions by opening bank accounts for contingencies institute of the country. IACS has been successful in sustaining and other reimbursements, Digitization of old records, maintaining its performance both in terms of the quality of publications and in a digital repository at the IACS website, initiating the process of terms of the number of PhDs produced. The strong alumni base corpus generation for the institute, formulating Instrument usage only vindicates the fact that most of them are well placed in their charges and for other services, restructuring the department of later career and some becoming leaders in the field. IACS is now Central Scientific Services etc. concurrently running Integrated PhD in all the three major streams Towards infrastructural development, IACS has now revamped of basic science, viz. Physics (with Jadavpur University), Chemistry its electrical wiring and installed safety & alert mechanism in the (with Calcutta University) and Biology (with IIT-Kharagpur), over and main building first time since its construction about 70 years ago. above the regular PhD coursework. The Governing Council of IACS A significant part of the Campus premises has been brought has made teaching mandatory for the faculty as per the original under CCTV surveillance, all new construction works are being mandates of the Institute. IACS has already started expanding given to CPWD while regular maintenance after completion and the lab and hostel facilities for accommodating newcomers to the handover is being done by the internal engineers. Existing hostels extent possible. IACS is also in the process of additional expansion have been renovated, while Essential Staff Quarters were vacated by starting its 2nd campus at the newly acquired land at Baruipur and converted to a modernized student/faculty accommodation allotted by the Government of West Bengal. facility. Restoration of ambience and renovation of main building At present IACS has 13 research departments/units/centers having is in progress. The process of land acquisition for the Baruipur about 67 number of regular scientists/faculty: and 176 number of campus is on which is expected to be culminated with the formal regular staff and 491 number of students and young researchers. possession and lease transfer soon. Over the last few years IACS In the year IACS received a Regular Core Grant of Rs. 96.22 Crores has vastly improved its sophisticated instrumentation facility and a Capital grant of Rs. 12.75 Cr. from DST, a matching share through the addition of major equipments like EPR spectrometer, of Rs. 4.13 Crores from the West Bengal Government, along with Atomic Force Microscope, Helium Liquefier, Single Crystal XRD, Extramural Research Grant of Rs. 23.01 Crores and Rs. 7.22 Powder XRD, Pure water plant, low temperature freezers, HPC Crores under the Technical Research Centre grant. With this IACS facility, Resonance Raman Spectrometer, etc among others. continues to preserve its position among the DST-funded institutes I thank the Governing Council for lending its collective wisdom and by its output parameters in terms of 444 Papers in refereed journals, the Department of Science & Technology and the Government of Average Impact Factor per paper 4.44, 4 patents awarded and 14 West Bengal for their generous funding and constant support as patents filed and 58 no. of PhDs produced. and when required to make possible such performance becoming DST has funded setting up a Technical Research Centre (TRC) a reality. for Molecules and Materials at IACS, under the new initiative Scientists from IACS are involved in many collaborative research announced as a part of the Finance Minister’s Budget Speech works in line with the National S&T institutions and also with the 2014. The Centre has a translational goal of trying basic research faculty members of the state run Universities and colleges. IACS findings that may be suitable for industry by developing technology provides infrastructural support to many such organizations. IACS through PPP model. The Centre is expected to increase research organizes several workshops, popular lectures for the school and collaboration in interdisciplinary areas, bringing about an emphasis college students to make them aware of the various National S&T on experimental research having sound theoretical foundation, enterprises. and moving forward with the translational goal for environmental, therapeutic and societal applications. Under the TRC initiative, The activities described in these pages would not be possible several advanced facilities and instruments are being put together, without the dedication and passion of the faculty, staff and that would facilitate interdisciplinary research in molecules and students of IACS. Day in and day out, they strive to support IACS materials. The Project has completed its first year and a solution in the pursuit of the dreams of its forerunners. They do this in a for cyanide sequestration for effluent treatment has been delivered professional and unassuming manner. To them and to all of you by Prof. Pradyut Ghosh to Tata Steel Pvt. Ltd.. Equipment who support in your own way the activities of IACS, a most sincere procurement under the project is on track and an industry- thanks! Thanks also to the Publication Cell for bringing out this academia conclave at IACS was held for the first time at IACS. The volume. first progress monitoring meeting of the National review Committee The aspirations and actions set in motion this year will influence constituted by the DST observed that within the ambit of what was generations to come. We know this well and strive to achieve the required to be done in the first year, IACS has met its goal and they maximum impact with the resources entrusted to us. We invest in have recommended further continuation of support by the DST. evaluating our work so that we can continue to learn from what we There is a visible cultural change in taking high level science to do and to improve further. industrial users. Let us pay rich tribute to our founders and mentors and take an The academic reforms have been initiated to take place in the oath to give our very best to uphold values and strengthen portal of form of efforts to get a deemed university status, introduction of quality higher education and research. Together we can usher in a Integrated PhD Coursework, drawing comprehensive policy on the new era that is more just, resilient, and inclusive of all. I look forward students’ tenure and fellowship, formulating leave and conduct to your valuable assistance, support and participation. rules for students, holding colloquium and other lecture series, instituting IACS lecture, introducing performance linked research grant, offering top-up incentives to encourage faculty members to Santanu Bhattacharya apply for extramural funding, re-initiating faculty appointment, etc. Director, IACS To mention some of the administrative and financial reforms, one may mention maintaining modest yet steady fund flow by proper planning and utilization of the released funds, monitoring fund 006 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA The Past Glory

In the initial period Father Lafonte took major steps in teaching and building laboratories. J.C. Bose, IACS is the oldest research institute FRS (1858-1937, inventor of After Independence, M.N. Saha, in India. Dr. M.L. Sircar (1833- microwave communication) and FRS (1893-1956, discoverer of Saha 1904), a medical practitioner, Asutosh Mukherjee (1864-1924), Ionization Formula) played a big role founded IACS in 1876 to cultivate first Indian to publish a Paper in in making IACS as a full fledged science in all departments. In the 1881) were among first lecturers of research institute. With the help of first 50 years, IACS was run only by IACS. Dr. B.C. Ray, CM/WB and Pandit J.L. donations received from individuals Nehru, PM, Saha built the present like Vidyasagar, Maharaja of campus at Jadavpur. Saha was the Vijianagram, Kalikrishna Tagore and first Director of IACS (1953-1956). others.

S.N. Bose, FRS (1894-1974) (discover of the Bose Statics) joined IACS as a National Professor in Original research at IACS was started 1958. Professor Kedareswar Banerjee in 1907 by C.V. Raman. Raman (1900-1975) was a world renowned came to Calcutta as Assistant In 1933, Raman left IACS to join X-ray crystallographer and he Auditor General of Government of IISc, Bangalore as its first Indian served as Director of IACS from India and started working at IACS Director. Before leaving Calcutta, 1959 until his retirement in 1965. He outside office hours and holidays. he appointed K.S. Krishnan, was the founder of crystallography The Raman Effect was discovered in FRS (1898-1961), co-discoverer in India and proposed a new 1928 for which Raman received the of Raman Effect) as the first MLS approach to the crystallographic 1930 Nobel Prize in Physics. Raman Professor. phase problem, which heralded the was a Palit Professor of Physics of extremely powerful direct methods Calcutta University from 1917-33 of crystallography of the modern era. but he carried out all his research at IACS. Raman discovered the small angle X-ray. ANNUAL REPORT 2016-2017 007

Professor Amal Kumar Professor Santi Ranjan Palit Professor Suri Bhagavantam Raychaudhuri (1924-2005) was (1912-1981) joined IACS in 1947 (1909 – 1989), impressed by the an acclaimed theoretical physicist as a head of the Department of discoveries of Sir C. V. Raman, well known for his seminal work on Physical chemistry and got actively relocated to Calcutta and joined him relativity and cosmology. He worked engaged himself with all his vigour in 1928 at IACS. After the Nobel Prize- as a research scholar at IACS (during and enthusiasm in the development winning discovery, Raman chose 1940’s) and later took a research plan of the Association. He made Bhagavantam as his collaborator job at the institute. He is most significant contributions in many to further his research work. Till the well known for the Raychaudhuri areas of physical chemistry as well as early decades of this century the equation which describes the polymer chemistry. His contributions IACS was the only place in India gravitational attraction for pressure- in the field of polymer chemistry where high level research in Physical free matter, showing the repulsive are of lasting importance and he is Sciences could be carried out. Prof. nature of a positive cosmological justifiably regarded as the father of Bhagavantam was among the many constant, and underlying the basic polymer research in India. distinguished scientists of modern singularity theorem. India who carried out research at IACS to enrich the scientific research culture of India. In 1957, he became the Director of the Indian Institute of Science in Bangalore. He was then appointed as the scientific adviser to the Government of India under the Ministry of Defence and then joined as the Director of the Defence Research and Development Organisation (DRDO) in 1962 after the Indo-Chinese War. Professor Bhagawantam wrote the well known book titled The Theory of Groups Professor Phanindra Chandra Professor Priyada Ranjan Ray and its Physical Applications along took over Dutta (1912-1983) (1958) was a renowned inorganic with Venkata Rayudu. This book the charge as the Head of the chemist who served as the Director was published in three editions and Department of Organic Chemistry at of IACS. He is particularly well known was translated into Russian. It is IACS in 1953 and guided the destiny for his seminal work on rhombic often said that a whole generation of of the Department for more than twist mechanism (Ray Dutt Twist), spectroscopists are brought up on two decades. He introduced in our coordination chemistry stabilization this book. He also wrote the book country for the first time the stereo of metal ions in unusual oxidation titled Scattering of Light and Raman controlled synthesis of organic states and so on. Effect. molecules related to terpenoids and variety of other natural products. 008 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Distinguished Alumni and Associates

NOBEL LAUREATE FELLOW OF THE WORLD ACADEMY OF SCIENCES (FTWAS) • Sir C.V. Raman (1888 –1970, former faculty of IACS) • Prof. C. N. R. Rao (former Council member of IACS and IACS BHARAT RATNA (HIGHEST CIVIL HONOR IN INDIA) Fellow) • Sir C. V. Raman (1888 –1970, former faculty of IACS) • Prof. D. Mukherjee (former student, faculty and director of IACS) • Prof. C. N. R. Rao (former Chairman of the Review Committee • Prof. D. D. Sarma (former faculty of IACS) of IACS and IACS Fellow) • Prof. K. Bhattacharyya (former student, faculty and director of IACS) FELLOW OF THE ROYAL SOCIETY (FRS), LONDON: • Prof. Santanu Bhattacharya (Director, IACS) • Sir C. V. Raman (1888 –1970, former faculty of IACS) • Prof. Meghnad Saha (1893-1956, former faculty and Director of TWAS PRIZE IACS) • Prof. C. N. R. Rao (former Chairman of Review Committee of • Sir J. C. Bose (1858-1937, former faculty of IACS) IACS and IACS Fellow) • Prof. K.S. Krishnan (1898-1961, alumnus former faculty of • Prof. Animesh Chakravorty (former faculty of IACS) IACS) • Prof. D.D. Sarma (in 2006, former faculty of IACS) • Prof. S. N. Bose (1894-1974, former faculty of IACS) • Prof. K. Bhattacharyya ( in 2007, former student, faculty and • Prof. A. P. Mitra (1927-2007, Chairman of the IACS Council ) director of IACS) • Prof. C. N. R. Rao (former Chairman of the Review Committee • Prof. Santanu Bhattacharya (Director, IACS) of IACS and IACS Fellow) SHANTI SWARUP BHATNAGAR (SSB) PRIZE • Prof. M. M. Sharma (Chairman of the IACS Governing Council and IACS Fellow) • Prof. K. S. Krishnan (1898-1961, received in 1958, former faculty of IACS) • Prof. T V Ramakrishnan (IACS Fellow) • Prof. P. R. Ray (1888-1982, received in 1968, former Director of • Prof. Ajay Sood (IACS Fellow) IACS) PADMAVIBHUSHAN (CIVIL HONOR IN INDIA): • Prof. S. Basu (1922 –1992, received in 1965, former faculty of IACS) • Prof. C. N. R. Rao (former Chairman of the Review Committee of IACS and IACS Fellow) • Prof. U. R. Ghatak (1931-2005, received in 1974, former faculty of IACS) PADMA BHUSAN (CIVIL HONOR IN INDIA): • Prof. C. K. Majumdar (1938-2000, received in 1975, former • Prof. K. S. Krishnan (1898-1961, alumnus and former faculty of faculty of IACS) IACS) • Prof. C. N. R. Rao (former Chairman of Review Committee of IACS and IACS Fellow) PADMA SHRI (CIVIL HONOR IN INDIA): • Prof. Animesh Chakravorty (received in 1975, former faculty of • Prof. A. K. Barua ( former faculty and Director of IACS) IACS) ALEXANDER VON HUMBOLDT RESEARCH AWARD • Prof. M. Chowdhury (received in 1977, former faculty of IACS) • Prof. D. Mukherjee (former student, faculty and director of IACS) • Prof. D. Mukherjee (received in 1987, former student, faculty and director of IACS) • Prof. M. Ray (received in 1989, former faculty of IACS) ANNUAL REPORT 2016-2017 009

• Prof. D. D. Sarma (received in 1994, former faculty of IACS) • Prof. C. N. R. Rao (former Chairman of Review Committee of IACS and IACS Fellow) • Prof. K. Bhattacharyya (received in 1997, former student, faculty and director of IACS) • Prof. Animesh Chakravorty (former faculty of IACS) • Prof. Akhil R. Chakravarty (received in 1998, former student of • Prof. D. Mukherjee (former student, faculty and director of IACS) IACS) • Prof. K. Bhattacharyya (former student, faculty and director of • Prof. D. S. Ray (received in 1999, former student and faculty of IACS) IACS) • Prof. Santanu Bhattacharya (Director, IACS) • Prof. Sourav Pal (received in 2000, former student of IACS) • Prof. B. C. Ranu (former student and faculty of IACS) • Prof. Santanu Bhattacharya (received in 2003, Director, IACS) • Prof. A. Ghosh (present faculty of IACS) • Prof. Samaresh Bhattacharya (received in 2005, previous • Prof. D. S. Ray (former student and faculty of IACS) student of IACS) • Prof. D. D. Sarma (former faculty of IACS) • Prof. Pradyut Ghosh (received in 2015, present faculty member, IACS) • Prof. R. N. Mukherjee (former student of IACS) • Prof. Krishnendu Sengupta (received in 2015, present faculty • Prof. Akhil R. Chakravarty (former student of IACS) member, IACS) • Prof. Sourav Pal (former student of IACS) • Prof. P. S. Mukherjee (received in 2016, former student of IACS) • Prof. A. Samanta (former student of IACS) FELLOW OF THE INDIAN NATIONAL SCIENCE ACADEMY • Prof. K. Nag (former faculty of IACS) (FNA) • Prof. Subrata Ghosh (former faculty of IACS) • Sir C. V. Raman (1888 –1970, former faculty of IACS) • Prof. S. Goswami (present faculty of IACS) • Prof. K. S. Krishnan (1898-1961, former faculty of IACS) • Prof. A. J. Pal (present faculty of IACS) • Prof. K. Banerjee (1900 – 1975, former faculty of IACS) FELLOW OF THE INDIAN ACADEMY OF SCIENCES (FASc) • Prof. S.D. Chatterjee (1909-1995, former faculty of IACS) • Sir C. V. Raman (1888 –1970, former faculty of IACS) • Prof. S. R. Palit ( 1912-1981, former faculty of IACS) • Prof. K. Banerjee (1900 – 1975, former faculty of IACS) • Prof. D. Basu ( 1917-2005, former faculty and director of IACS) • Prof. S. Basu (1922 –1992, former faculty of IACS) • Prof. S. Basu (1922 –1992, former faculty of IACS) • Prof. P.C. Dutta (1912-1971, former faculty of IACS) • Prof. P. C. Dutta (1912-1971, former faculty of IACS) • Prof. U. R. Ghatak (1931-2005, former faculty and director of • Prof. U. R. Ghatak (1931-2005, former faculty and director of IACS) IACS) • Prof. K. S. Krishnan (1898-1961, former faculty of IACS) • Prof. Akshayananda Bose ( 1911- 1997, former faculty of IACS) • Prof. S. R. Palit (1912-1981, former faculty of IACS) • Prof. Amal K. Raychaudhuri (1923-2005, former faculty of IACS) • Prof. Amal K. Raychaudhuri (1923-2005, former faculty of IACS) • Prof. Susil K. Mukherjee (1914-2006, former president of IACS) • Prof. M. Chowdhury (former faculty of IACS) • Prof. Priyada Ranjan Ray (1888- 1982, former Prof. And Director of IACS) • Prof. C.N. R. Rao (former Chairman of Review Committee of IACS and IACS Fellow) • Prof. M. Chowdhury (1937-2017, former faculty of IACS) 010 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

• Prof. Animesh Chakravorty (former faculty of IACS) FELLOW OF THE NATIONAL ACADEMY OF SCIENCES (FNASc) • Prof. R. N. Mukherjee (1999, former student of IACS) • Prof. M. N. Saha (1893-1956, former faculty, Director of IACS) • Prof. Akhil R. Chakravarty (1995, former student of IACS) • Prof. K. S. Krishnan (1898-1961, former faculty of IACS) • Prof. Sourav Pal (1996, former student of IACS) • Prof. Amal K. Raychaudhuri (1923-2005, former faculty of IACS) • Prof. A. Samanta (2003, former student of IACS) • Prof. C. N. R. Rao (former Chairman of Review Committee of • Prof. Samaresh Bhattacharya (2006, former student of IACS) IACS and IACS Fellow) • Prof. M. Durga Prasad (2012, former student of IACS) • Prof. B. P. Chatterjee (former faculty of IACS) • Prof. D. D. Sarma (1993, former faculty of IACS) • Prof. Jayanta K Bhattacharjee (former faculty of IACS) • Prof. Surajit Sengupta (2006, former faculty of IACS) • Prof. D. D. Sarma (former faculty of IACS) • Prof. Jayanta K Bhattacharjee (1993, former faculty of IACS) • Prof. Sourav Pal (former student of IACS) • Prof. A. K. Barua (1987, former faculty and Director of IACS) • Prof. A. Samanta (former student of IACS) • Prof. G. K. Lahiri (2005, former student of IACS) • Prof. D. Mukherjee (former student, faculty and director of IACS) • Prof. S. P. Bhattacharya (1993, former student and faculty of • Prof. K. Bhattacharyya (former student, faculty and director of IACS) IACS) • Prof. D. Mukherjee (1987, former student, faculty and director of • Prof. D. S. Ray (former student and faculty of IACS) IACS) • Prof. S. Sengupta (present faculty of IACS) • Prof. Santanu Bhattacharya (2000, Director, IACS) • Prof. B. N. Dev (present faculty of IACS) • Prof. K. Bhattacharyya (1997, former student, faculty and director of IACS) • Prof. A. J. Pal (present faculty of IACS) • Prof. D. S. Ray (1995, former student and faculty of IACS) • Prof. A. Patra (present faculty of IACS) • Prof. B. C. Ranu (1995, former student and faculty of IACS) G.D. BIRLA AWARD FOR SCIENTIFIC RESEARCH • Prof. A. Ghosh (2009, former faculty of IACS) • Prof. D. D. Sarma (former faculty of IACS) • Prof. K. Nag (1992, former faculty of IACS) • Prof. Santanu Bhattacharya (Director, IACS) • Prof. Subrata Ghosh (1998, former faculty of IACS) J C BOSE FELLOWSHIP, DST • Prof. S. Goswami (2004, present faculty of IACS) • Prof. D. Mukherjee (former student, faculty and director of IACS) • Prof. A. J. Pal (2010, present faculty of IACS) • Prof. D. D. Sarma (former faculty of IACS) • Prof. A. K. Nandi (2009, present faculty of IACS) • Prof. K. Bhattacharyya (former student, faculty and director of • Prof. B. N. Dev (2006, present faculty of IACS) IACS) • Prof. S. Sengupta (present faculty of IACS) • Prof. R. N. Mukherjee (former student of IACS) • Prof. T. Chakraborty (2015, present faculty of IACS) • Prof. Santanu Bhattacharya (Director, IACS) • Prof. K. Sengupta (2012, present faculty of IACS) • Prof. Sourav Pal (former student of IACS) • Prof. A. Patra (2016, present faculty of IACS) • Prof. A. Samanta (former student of IACS) • Prof. A. Banerjee (2015, present faculty of IACS) • Prof. B. C. Ranu (former student and faculty of IACS) • Prof. Pradyut Ghosh (2016, present faculty of IACS) • Prof. S. Goswami (present faculty of IACS) • Prof. P. K. Das (2017, present faculty of IACS) • Prof. S. Ghosh (former student and faculty of IACS) ANNUAL REPORT 2016-2017 011

• Prof. A. Ghosh (former faculty of IACS) • Dr. J. Dash (present faculty of IACS) • Prof. A. J. Pal (present faculty of IACS) INSA MEDAL FOR YOUNG SCIENTIST • Prof. D. S. Ray (present faculty of IACS) • Prof. M. Ray (former faculty of IACS) B. M. BIRLA SCIENCE PRIZE • Prof. B. K. Chaudhuri (former faculty of IACS) • Prof. Santanu Bhattacharya (Director, IACS) • Prof. Sourav Pal (former student of IACS) • Prof. G. K. Lahiri (former student of IACS) • Prof. D. Datta (former student and faculty of IACS) • Prof. Arindam Banerjee (present faculty of IACS) • Prof. T. Jana (former student of IACS) • Prof. P. K. Das (present faculty of IACS) • Prof. T. K. Paine (present faculty of IACS) • Prof. Pradyut Ghosh(present faculty of IACS) • Dr. Saptarshi Mukherjee (former student of IACS) • Prof. Suhrit Ghosh(present faculty of IACS) • Dr. Pratik Sen (former student of IACS)

SWARNAJAYANTI FELLOWSHIP, DST ASSOCIATES OF THE INDIAN ACADEMY OF SCIENCES • Prof. Santanu Bhattacharya (Director, IACS) • Prof. T. Jana (former student of IACS) • Prof. Narayan Pradhan (present faculty of IACS) • Dr. S. Malik (former student of IACS) • Prof. Pradyut Ghosh (present faculty of IACS) • Prof. Suhrit Ghosh (present faculty of IACS) • Prof. S. P. Mukherjee (former student of IACS) • Dr. A. Dey (present faculty of IACS) • Prof. Suhrit Ghosh (present faculty of IACS) 012 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

The Laurels (2016-2017) Faculty Members

Abhijit K Das Arindam Banerjee Santanu Bhattacharya Benu Brata Das Fellow of the West Bengal Professor CNR Rao Gandhian Young ISA-Senior Visiting Senior Academy of Science and National Prize in Chemical Technological Innovation Fellow – 2016 award Technology, 2016. Sciences in 2017. (GYTI) Award, Society for Research and Initiatives for Sustainable Technologies and Institutions (SRISTI), New Delhi, India.

Prasanta K Das Gour P Das Amlan J Pal Jyotirmayee Dash Fellow of Indian Academy Distinguished Presentation J C Bose Fellowship. Awarded Swarna Jayanti of Sciences (FASc); MRSI Speaker, Air Force Fellowship, DST. Medal. Research Laboratory, USA//Honorary Adjunct Professor, Heritage Institute of Technology. ANNUAL REPORT 2016-2017 013

The Laurels (2016-2017) Research Fellows

Jhuma Bhadra Sayantika Bhowal Surajit Bose Laxminarayana Burgula Best Post award, 2nd in the 34th Young OSA-Student Poster Prize by National Post-doctoral CSIR-IICB. Physicists Colloquium Optical Society of America. Fellowship. (YPC-2016).

Sayanti Chatterjee Roopayan Ghosh Hiya Lahiri Kuheli Mandal Humboldt Fellowship for Post- Shyama Prasad Mukherjee JSPS-HOPE Fellow. CV Raman Best Poster Doctoral Research, Germany; Fellowship. Award, Conference at Asutosh Mukherje Best Thesis University of Madras. Award, IACS, Kolkata.

Nibedita Nandi Pulak Pal Arnab Shit Best Poster Award in Best Poster Award, ACS Best Poster Award, 20th CRSI Symposium, IIT-Patna. Macro-2017. Guwahati University. Key Committees ANNUAL REPORT 2016-2017 015

Organisational Chart

Societal Component Institute Component

General Body Governing Council

Finance Committee

Director

Deans & Associate Deans

Registrar Head of the Academic Dept.,/ Services Unit/Centre

Engineering CSS IJP Library Centre for Computer Workshop Research Education & Services

Establishment General Administration Accounts

In accordance with DST guideline (letter no. AI/001/97, dated 01.08.1997) the administrative and financial set up of the institute is as following :

Governing Council

Professor M M Sharma, FRS, (Chairman) Professor L.S. Shashidhara (Nominated by the Department of Science & Technology, IISER-Pune Government of India) (Nominated by INSA for three terms) Secretary to the Government of India or his nominee, DST Principal Secretary to the Government of West Bengal, Department of Higher Education Professor Santanu Bhattacharya, Director, IACS Financial Advisor to the Government of India, Dr. Ayan Datta DST (Elected from amongst Academic staff Association for one term) Professor Mahan MJ TIFR, Mumbai Shri Prabir Manna from amongst the Administrative & (Nominated by the Council of IACS for three terms) Technical Staff for one term Professor Amit Basak Smt Debdatta Halder IIT, Kharagpur (Elected from amongst the Research Fellows & Associates for (Nominated by the DST, Government of India for three terms) one term) Professor K.N. Pathak Registrar – Non Member Secretary Ex-VC, Chandigarh University Director, Bose Institute (permanent invitee member) (Nominated by the DST, Government of India for three terms) Director Professor Sudhir K. Jain, Director SNBNCBS (permanent invitee member) IIT-Gandhinagar (Nominated by the Council of IACS for three terms) 016 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Finance Committee

Chairman, Governing Council, IACS Professor Anandadeb Mukherjee, Trustee, nominated by the Council Director, IACS Principal Accountant General, Govt. of West Bengal One Representative of Ministry of Science of Technology, GOI Registrar, IACS, Non-member Secretary

Management Committee

Professor MM Sharma, FRS (President) Professor Indrani Bose Professor Santanu Bhattacharya, Director Professor Debasish Bhattacharya (Vice President, Ex-Officio) Professor Kamal Bhattacharyya Professor Alok K Mukherjee (Vice President) Professor Subir Ghosh Professor Amitava Dutta (Hony. Secretary) Dr. Bhupati Chakraborty Professor Sanjib Ghosh (Hony. Treasurer) Dr. Chinmoy Kumar Ghosh Professor Dhiranjan Roy Shri. Amit K. Majumdar, Executive Secretary

Trustee

Professor Milan Sanyal Professor Ananda Deb Mukherjee Professor R N Mukherjee Professor Sabyasachi Sarkar

Annual Report and Publication Cell

Professor K Sengupta - Chairman Dr. S. Ghosh De – Member Professor S. Majumdar – Member Dr. A. Paul - Member Professor P.S. Dastidar - Member Smt. S. Saha – Member Dr. R. Mukhopadhyay – Member Smt. D. Chakraborty – Member Dr. S. Ghosh – Member Dr. G. Paul – Member Dr. S. Ray – Member Shri A. Basak - Secretary Dr. T.K. Paine – Member Executive Summary 018 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA Executive Summary

To quote the Founder, the great visionary, Dr. Mahendra Lal • Functional analysis of Nonmuscle myosin IIs and their mutants Sircar “The objective of the Association is to enable the Natives found in human patients of India to cultivate Science in all its departments with a view to • Lipid Droplet (LD): role in the development of zebrafish embryos its advancement by original research and with a view to its varied • Role of Phospholipid In blood coagulation application to the arts and comforts of life.” Even today, IACS is dedicated to the realization of the undying dream of its founder • Signalling of microparticle formation from cell surface and role of and his compatriots. The institute pursues relentlessly theoretical coagulation factors mediated cell signaling and experimental research in fundamental and basic sciences with • Monocyte to Macrophage differentiation emphasis on translating its discoveries into technology wherever possible and train and prepare the younger generation to handle the challenges of the future, be it in the emerging areas of science Centre for Advanced Materials or technology. • Synthesis and functionalization of nanoparticle IACS has currently 8 departments (Materials Science, Solid State • Exploring properties of nanomaterials Physics, Spectroscopy, Theoretical Physics, Biological Chemistry, • Complex nanostructures and assemblies Inorganic Chemistry, Organic Chemistry, Physical Chemistry), • Applications of nanoparticles as biological probe 3 units (Energy Research, Mahendra Lal Sircar Professor and Polymer Science), and 2 Centres (Advanced Materials and Atomic, • Energy generation, energy saving using nanomaterials Molecular & Optical Sciences), apart from Service Units that provide research facilitation (Central Scientific Services, Computer Centre, Director’s Research Unit Library, Workshop etc.). These departments, units and centres have been carrying out research and development activities under Chemical Biology: 4 broad areas. The activities of some of the departments therefore overlap. • Stabilization of non-Watson-Crick nucleic acid structures, e.g., A-motif, C-motif, i-motif & G-quadruplex DNA & RNA. 1. Molecular Sciences (Organic, Inorganic, Physical Chemistry, • Bioactive/Gene Delivery & Knockdown: Plasmid DNA, si-RNA, Polymer Science, Spectroscopy, Solid State Physics, Advanced sh-RNA, aptamer delivery across eukaryotic cells; Targeting of Materials, Atomic, Molecular & Optical Sciences) Cancer cells and Cancer Stem cells and in vivo study. 2. Physics and Chemistry of Materials (Materials Science, Solid State Physics, Polymer Science, Spectroscopy, Energy Biological Membranes: Research, Advanced Materials) • Structure-Function Studies; Vesicles, Micelles, Signaling in Self- 3. Theoretical Sciences (Theoretical Physics, Physical Chemistry, organizing Aggregates; Lipid-DNA Complexation; Lipid-protein Spectroscopy, Materials Science, Advanced Materials, Atomic, Interactions. Molecular & Optical Sciences) • Bolaamphiphiles, Gemini Surfactants, Ion-paired Amphiphiles, 4. Biological Sciences (Biological Chemistry, Polymer Science, Metallo-surfactants, Multi-headed Surfactants etc. Theoretical Physics, Organic Chemistry, Inorganic Chemistry) • Association colloids, emulsion, normal and reverse aggregates, Highlights of major achievements in the different departments, Gels. units and centres are as follows: Supramolecular Chemistry: Biological Chemistry • Investigation of the soft materials using a variety of physical methods, e.g., rheology, probe-fluorescence, SANS, SAXS, • Self-assembling peptide based functional soft materials XRD, DSC, AFM / SEM / TEM / CFM / POM etc. • Peptide stabilized nanoclusters • Design and synthesis of new gelators & characterization and • Self-assembled soft-nanohybrids applications of the resulting gels. • Carbon nanomaterial included supramolecular systems in • Phase-selective gelation; Gels for sustained pheromone release biomedicine toward live insect control in fruit orchard. • Enzymology and Structure-Function Relationship in Bio-inspired • Sensors and probes for analytical, theranostics & bio-analytical Membrane Mimetic Systems chemistry. Detection of biologically relevant species and • Fluorescent Carbon Dots in Biosensing and Bioimaging environmentally hazardous ions or analytes and explosives at nanogram level. • Nanoscale Biosensors • Nanoscale Bioelectronics Nanoscience & Technology: • Single Molecule Force Spectroscopy (SMFS) of Drug-DNA Complexes • Nanocarbon-composites and Metal Nanoparticle-composites • To understand the role of nonmuscle myosin II in bleb dynamics • Nanobiotechnology and Nanomedicine in tumor cell lines • Application of Nanotechnology in Agriculture etc. ANNUAL REPORT 2016-2017 019

Energy Research Unit be catalytically active towards oxygen reduction reaction (ORR). Two-dimensional Graphene/h-BN hetero-structure and their 1D • Current research interest covers the areas of new materials and counterparts have been investigated both for phase separated device structures for application in the next generation solar and non phase separated structures. A number of possible cells and other optoelectronic devices. configurations of zigzag nanoribbons of B-C-N composite • Activities cover materials like nanocrystalline silicon and structure have been studied for their electronic and magnetic silicon quantum dots embedded in various dielectrics, silicon properties. oxide nanowires and a-Si:H/nc-Si:H as well as a-SiC/nc-SiC • Our discovery of superdense nonmagnetic (SDNM) cobalt in superlattice structures. cobalt thin films led us to investigate the dependence of its • By controlling the size of the silicon quantum dots the band formation on the film thickness, coating of the film with gold and gap of the material could be varied over a wide range. Solar cell the type of substrate. In all cases, SDNM cobalt has formed with the absorber layer consisting of silicon quantum dots in a when the cobalt film was grown on clean silicon (i.e. without the superlattice structure leads towards all silicon tandem solar cells native silicon dioxide). which have been predicted to cross Shockley-Queisser limit. • In the area of ion irradiation induced effects on materials, several • Nanostructured carbon e.g., carbon nanotube, diamond like investigations have been carried out. Nickel monosilicide (NiSi) is carbon (DLC) as antireflection coatings (ARC) on Si solar cells a desirable material for the miniaturization in the semiconductor and nanocrystalline diamond (NCD) thin films as protective industry. Nanoscale thin films of NiSi have been produced by ion coating on optoelectronic devices irradiation of thin Ni films, grown on Si, by overcoming the usual • Nanostructured ZnO, ZnO:F, ZnO:Ga, ZnO:Ga:Cu and TiO2 as difficulties encountered in standard thermal processing of NiSi. transparent conducting oxide and photocatalytic applications in In magnetic multilayers like cobalt/copper (Co/Cu) multilayers, thin film solar cells. displaying giant magnetoresistance (GMR) effect, ion irradiation has been found to cause a novel phenomenon of sign reversals • Theoretical modeling and simulation for analysis of plasmonic of magnetoresistance as a function of ion fluence. enhancement of absorption in thin absorber layers in solar cells. • Electrical, optical and magnetic properties of graphene based functionalized nanostructures are investigated. Antiferro- Inorganic Chemistry ferromagnetic transition in ultrathin Ni(OH)2 layer grown on • Participation of redox non-innocent ligand in small molecule graphene surface and observation of interlayer exchange activation coupling in Ni(OH)2/graphene/Ni(OH)2 nanostructures. Amorphous molybdenum sulfide quantum dots have been • Design of efficient new catalysts that can mimic the enzymatic used to achieve an efficient hydrogen evolution electrocatalyst pathway for catalytic dehydrogenation of alcohols. in neutral medium. Origin of high storage capacity in N-doped • Recognition and sensing of Al3+ and phosphates by excited graphene quantum dots has been explored. Highly luminescent state intra-molecular proton transfer (ESIPT) based highly N-doped carbon quantum dots from lemon juice with porphyrin- sensitive ratiometric fluorescence sensor and a bis-heteroleptic like structures surrounded by graphitic network have been Ru(II) complex having halogen bonding iodo-triazole unit. synthesized for sensing applications and High selectivity in • Development of supramolecular helical assembly and dynamic water soluble MoS2 quantum dots for sensing nitro explosives. interlocked molecular systems. • Dr Pradhan and his research group works on understanding the involved physical chemistry behind synthesis of high quality • Bioinspired oxidation by O derived metal-oxyegn oxidants. 2- inorganic nanocrystals. Mostly, growth followed by non-classical • Mechanism of multi-proton and multi-electron processes. approaches were focused in recent days. This involve multinary • Spectroscopic and reactivity studies of heme amyloid beta nanocrystals, light emitting doped perovskite nanocrystals, peptides associated with Alzheimer’s disease. structures showing 2D asymmetric growth, methods followed • Heterocyclic macrocycles, interlocked molecules, organic fast growth leading to monodisperse nanostructures etc. optoelectronics and molecular magnetism. Moreover, the group also focused on developing OER and HER electrocatalysts for water splitting using their newly developed • Carboxylate-bridged nonheme diiron(II) complexes as building materials. blocks for the synthesis of bridged heterometallic systems. • Realization of elusive J=0 ground state in strongly spin-orbit coupled Iridates, Ruthenates and Rhodates. Materials Science • Inducing disorder and fluctuation in solids by anion doping and • Electronic, magnetic, catalytic and transport properties of also by manipulating local coordinations. Carbon based 2D nanostructures have been investigated using • Search of half-metallic antiferromagnets. first-principles approach. In search of noble-metal free catalysts, • Artificial mineralization and direct removal of arsenic from two novel systems have been explored viz. (a) electron doped contaminated water. C2N monolayer ideal for CO oxidation (b) T6 carbon, a novel metallic allotrope of carbon, whose [100] surface turns out to • Formation of nanominerals as efficient adsorbent, for using as a general decontaminant. 020 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Organic Chemistry Solid State Physics • Asymmetric and stereocontrolled synthesis of complex natural • Charge carrier dynamics in ion conducting glasses, polymers products of biological significance and oxides is studied and correlated with characteristic lengths • Organometallic chemistry and population density of structural units. • Crystal engineering • Organic electronics, Solar cells based on hybrid perovskites and inorganic semiconductors, Scanning Tunneling Spectroscopy • Supramolecular chemistry of 2D transition metal dichalogenides and topological insulators, • Chemical biology and drug development Spintronics. • Asymmetric catalysis • Electronic structure of low dimensional quantum spin systems; • Development of novel synthetic methodologies and reagents Role of spin-orbit coupling in strongly correlated systems; including nanoparticles and nanomaterials. Multiferroics; Electronic structure of coupled quantum dots and doped nanowires. Physical Chemistry • Magnetic, electric transport, and dielectric properties of bulk and nanostructured materials. • Nonlinear dynamics, Statistical Mechanics • Optical and optoelectronic properties of II-VI semiconducting • Confocal Microscopy and Molecular Dynamics Simulations thin films and nanostructures. • Magnetic Field effect on radical pair system and Study of ultra- • Magneto-structural instability in transition metal based solids low frequency terrestrial electromagnetism including ferromagnetic shape memory alloys and multiferroic • Matrix isolation study and theoretical interpretation of infrared oxides. Ground state magnetic properties of transition metal spectral shifts in H-bonded complexes, LIF and dispersed oxides with novel low dimensional crystal structure and fluorescence spectra of complexes, Interpretation of low- geometrically frustrated systems. frequency vibrations, H-bond induced vibrational energy • Study of cell biology and statistical mechanics. Agent based relaxation, TOF mass spectrometric determination, IR modeling, Monte Carlo methods and molecular dynamics to spectroscopic and atmospheric modeling studies of photo- quantify various biological processes, such as, cell division, oxidation and photoisomerization reactions. intracellular transport and organization of cellular objects. Study • Development of Beyond Born-Oppenheimer Theories, of phase transition, domain coarsening in disordered materials Molecule-Surface Scattering, Theoretical State-to-State using statistical mechanics. Reaction Dynamics, Selective bond dissociation by optimized laser pulse field Raman Centre for Atomic, Molecular and • Molecular mechanism of DNA damage and repair in cancer Optical Sciences • Theoretical Biophysical Chemistry: Folding, unfolding, hydration and motor dynamics. • Theoretical study of ultracold atomic photoassociative processes. Polymer Science Unit • Theoretical study of atom-atom interaction in external fields. • Development and implementation of highly accurate spin-free • Polythiophene graft polyampholyte exhibits reversible robust non-perturbative coupled cluster electronic structure fluorescence on and off response in both acidic and basic methods for balanced treatment of dynamic and non-dynamic medium with the sequential addition of differently charged ionic electron correlation. surfactants, repeatedly. • Development of size extensive and size-consistent multi- • A hybrid hydrogel based on folic acid, polyaniline and AgNPs reference perturbative techniques. exhibit good supercapactor property (Sp. Capacitance 646 F/g • Theoretical formulation of analytic gradient based techniques for ) and highly enhanced photocurrent. molecular magnetic properties within non-relativistic and non- • Graphene oxide graft, poly(ε-caprolactone) - block - relativistic framework. poly(dimethyl aminoethyl methacrylate) exhibit pH and • Quantum chemical discovery of new strategies for hydrogen temperature dependent doping of graphene. storage. • A dye-sensitized solar cells fabricated with composite of • Understanding photoredox processes leading to generation polyaniline and cadmium sulfide nanoparticles and N719 dye of solvated electrons using may-body and density functional exhibit highest power conversion efficiency of 4.32 %. methods. • Computational exploration of strategies for N2 activation and conversion to NH3. • Unvelling molecular details for fast-oligo/polymerization processes. ANNUAL REPORT 2016-2017 021

Spectroscopy higher curvature gravity theories. Lightest Kaluza-Klein graviton mode in a back-reacted Randall-Sundrum scenario. Graviton • Development of methodology to study van der Waals complexes. KaluzaKlein modes in nonflat branes with stabilized modulus. • Reaction mechanism to detoxify model Nerve agents on Higher rank antisymmetric tensor fields in Klebanov-Strassler surface. geometry. Penrose process in a charged axion-dilaton coupled • Chemical hydrogen storage materials. black hole. Aspects of Radon transform in Quantum field theories. • Chemical vapor deposition (CVD) from single source precursor. • Particle Physics Phenomenology: Light higgsino or wino dark • Catalytic CO oxidation on oxide clusters. matter in a compressed scenario of MSSM. Exploring viable • Controlling agostic phenomena by substitution and orientation vacua of the Z3-symmetric NMSSM. Probing non-holomorphic • Structure and reactivity of metallofullerens (EMFs) MSSM via precision constraints, dark matter and LHC data. • Binding interaction of metal ions with artificial amino acids Status of the 98-125 GeV Higgs bosons scenario with updated LHC-8 data. Generation of radiative neutrino mass in the linear • Computation of TeraHertz spectra of molecular Solids. seesaw framework, charged lepton flavor violation and dark • Quantum Mechanical Tunneling in Chemical reactions. matter. R-parity violating supersymmetry at IceCube. Study of • Organo Gold Catalysis. the Littlest Higgs model with T-parity in the one lepton plus jets • Designing Materials for Singlet Fission. plus missing transverse energy channel at the LHC. • Modelling Two dimensional materials like Silicene and • Lattice Gauge Theory & Mathematical Physics: Lattice Phosphorene. QCD simulations at zero and finite temperatures, both with and without dynamical fermions. Computing glueball correlators • Computation on Graphite and Carbon nanomaterials. and implementing a new algorithm for two flavors of staggered • Unnatural DNA Bases – Quantum Chemistry and Classical quarks to run on GPUs. Molecular Dynamics. • Condensed Matter and Statistical Physics: Several aspects • Surface spectroscopy of soft interfaces of physics of strong correlations and dynamics in ultracold atom • Protein folding using the IR spectroscopy technique and condensed matter systems. Aspects of quantum many • Lipophilic interaction body theories, e.g., non-equilibrium dynamics of quantum many-body systems under external drive, signature of quantum • Role of fluorine in biology phase transition in highly excited state, open quantum systems and more. Frustrated magnets and spin liquids. Unconventional Theoretical Physics phase transitions. Entanglement properties of many-body systems. Numerical many-body physics. • Fields, Strings, Gravity, Cosmology and Mathematical • Biological Physics/Computational Biology: Decrypting Physics: Diphoton signal at the LHC via Chern-Simons Encoded epigenetic marks of human tRN-A-RS genes in interaction in a warped geometry scenario. Kinematics of radion normal, stem and cancer cell lines, tRN-A-RS act as biomarker field: a possible source of dark matter. Spherically symmetric in cancer and other diseases brane in a bulk of f(R) and Gauss-Bonnet Gravity. Solving Biological Chemistry Department of Biological Chemistry

Rupa Mukhopadhyay Head of the Department Department Profile People Faculty 06 Post-doctoral Research Associate 05 Ph.D. Students 34 Non-Academic Staff 04 Extra Mural Funding Projects (ongoing) 08 Research Achievements Research papers in Journals (2016-17) 23 Book-Chapters/Books 00 Ph.D. degree awarded 03 Academic Activities Seminars organized 04 Conference/Symposia/ School organized 01 Talks delivered by members of department in conferences/ 15 symposia (National) Talks delivered by members of department in conferences/ 03 symposia (International) 024 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Self-assembling peptide based functional soft materials: Self-assembling synthetic short peptides under congenial condition(s) form soft materials like gels. Some of these gels show fascinating functions including anticancer drugs carrier, removal of toxic organic dyes and heavy metals from waste water. Interestingly, gel stiffness, proteolytic stability, drug release capacity have been successfully modulated by the incorporation of D-amino acid residue(s) into the parent gelator. Two-component fluorescent, semiconducting gels have also been developed from naphthalene diimide-appended peptide with long-chain amines.

Peptide stabilized nanoclusters : Blue, green and red emitting gold nanoculsters have been synthesized and synthetic peptides have been used to stabilized these clusters in aqueous medium. These gold

clusters show remarkable semiconducting and photoswitching properties (Ion/Ioff), which are shown to be nicely tuned by varying the size of these clusters. Intersystem crossing (S1 → T1) is envisaged in red-emitting Au 23 clusters. Fluorescent, a few atoms the blue emitting gold quantum clusters have been synthesized form gold nanorods by a core-etching method using a bioactive peptide. This fluorescence has been successfully applied for selective and sensitive detection of Fe3+ ions in presence of other interfering cations ( like Pb(II), Zn(II), Ca(II), Hg(II), Cr(III), Co(II), As(III), Ni(II), Mn(II), Mg(II) and Al(III) ) in water. Interestingly, the ratio of Fe(II)/ Fe(III) ions has also been determined in water and it indicates the probable use of this method in real Arindam Banerjee, FASc iron- rich systems using this blue-emitting nanoclusters. Senior Professor Self-assembling peptide and amino acid based functional nanobiomaterials Associates : (1) A Baral, RA, (Institute, resigned in February 2017); (2) K Basu, SRF (CSIR); (3) N Nandi, SRF (CSIR); (4) S Paul, SRF (CSIR); (5) K Gayen JRF (CSIR); (6) B Hasda, JRF (UGC); (7) S Hazra, JRF (UGC); (8) B Mandal, JRF (CSIR); (9) D Bairagi, JRF (CSIR).

Publications in Journals 1. Two-Component fluorescent-semiconducting hydrogel from naphthalene diimide- appended peptide with long-chain amines : Variation in thermal and mechanical strengths of gels - N Nandi, S Basak, S Kirkham, I W Hamley and A Banerjee Langmuir, 32, 13226 (2016).[IF:3.993] 2. A dipeptide-based superhydrogel : Removal of toxic dyes and heavy metal ions from waste-water - N Nandi, A Baral, K Basu, S Roy and A Banerjee, Peptide Science, 108:e22915 (1-9) (2017) (DOI: 10.1002/bip.22915).[IF:1.546] 3. Blue emitting gold cluster formation from gold nanorods : Selective and sensitive detection of iron(III) ions in aqueous medium - A Baral, K Basu, S Roy and A Banerjee, ACS Sustainable Chemistry & Engineering, 5, 1628 (2017).[IF:5.267] 4. Amino acid-based amphiphilic hydrogels: metal ion induced tuning of mechanical and thermal stability – S Basak, I Singh, A Banerjee and H–B Kraatz, RSC Adv., 7, 14461 (2017).[IF:3.289] 5. TiO2 Nanoparticles incorporated peptide appended perylene bisimide based nanohybrid system : Enhancement of photo-switching behavior - S Roy, K Basu, K Gayen, S Panigrahi, S Mondal, D Basak and A Banerjee, J. Phys. Chem. C, 121, 5428 (2017).[IF:4.509] 6. Size specific emission in peptide capped gold quantum clusters with tunable photoswitching behavior - A Baral, K Basu, S Ghosh, K Bhattacharyya, S Roy, A Datta and A Banerjee, Nanoscale, 9, 4419 (2017).[IF:7.76] ANNUAL REPORT 2016-2017 025

Award/Recognition Lectures Delivered : Prof. CNR Rao National Prize in Chemical Sciences in 2017. Invited talk at (1) TEQIP workshop at IIT Kanpur; (2) Indo-French Conference at Strasbourg, France; (3) Royal Society Theo Murphy Sponsored Project International Scientific Meeting at Buchinghamshre, UK; (4) CRSI To study the gelation mechanism of self-assembling peptide based National Symposium at Guwahati University; (5) International new hydrogelators for the application of sustain release of drugs Conference at IIT, BHU, Varanasi. (Indo-UK bilateral project DST-UKIERI)

Ph.D. Degree Awarded : (1) Abhishek Baral (JU)

Self-assembled soft-nanohybrids : Synthesis and hybridization of various functional amphiphilic molecules with different nanomaterials. Subsequently they are utilized for the development of mechanically stronger soft nanocomposites and scaffolds. They have been used to improve biocatalytic activity of immobilized enzyme/protein. A large number of amino acid based hydro-, organo- and ambidextrous gelators were designed which formed self assembled fibrilar network in aqueous and (or) organic solvents and their mechanical strength has been tuned by incorporating different nanomaterials. These nanomaterial included gels were utilized as antibacterial agents. These carbon nanomaterial included gels showed improved mechanical stiffness which made them suitable for tissue engineering scaffolds. Besides trimesic acid based triple tailed amphiphiles have been synthesized. These triskelion amphiphiles can self-assemble into a vesicular morphology which was used to deliver doxorubicin inside the mammalian cells. Solvent dependent vesicle to gel transformation mechanism of cholesterol based glucose appended amphiphiles was also investigated.

Carbon nanomaterial included supramolecular systems in biomedicine : Rational designing of task specific functional amphiphiles for efficient dispersion of nano-dimensional allotropes of carbon (carbon nanotube (CNT)). A variety of biocompatible amino acid and estradiol based amphiphiles were designed to disperse CNTs for the loading and delivery of proteins, drugs and oligoneucleotide Prasanta Kumar Das, FASc into eukaryotic cells. More importantly different target specific unit such as biotin, pH Senior Professor responsive unit, estradiol were tagged with the amphiphile for target specific cargo delivery in cancer cell lines. The ability of these nanostructures to cross the cellular Biomedicinal chemistry of self-assembled membrane and deliver drugs and other biomolecules comes with huge promise to functional soft nanocomposites formulate alternative new age drug delivery systems. Associates : (1) M Ghosh, SRF (CSIR); (2) K Das, SRF Enzymology and Structure-Function Relationship in Bio-inspired (CSIR); (3) D Mandal, SRF (CSIR); (4) S Membrane Mimetic Systems : Sarkar, SRF (Inspire); (5) S Dinda, SRF Enzyme catalyzed reactions in the domain water-in-oil (w/o) microemulsion or reverse (CSIR); (6) P Choudhury, SRF (CSIR); (7) D micelles can be treated as excellent biomimetic model for intracellular bio-chemical Chakraborty, JRF (UGC); (8) D Sarkar, JRF processes carried out by enzymes. Enzymes immobilized at the interfacial domain (CSIR). of the reverse micelle showed improved catalytic activity compared to free enzyme in water. In the field of micellar enzymology, the concept of “space” in vicinity of enzyme (entrapped within membrane mimicking systems) played an important role for superior catalytic activity. In this context we have developed hydrophobically tailored carbon dots (CD) and successfully included these CDs within the reverse micelle. Hydrophobic CDs localized at the interface of the reverse micelle and augmented the interfacial area. Consequently surface active enzyme lipase showed better catalytic activity in this CD included reverse micelle.

Fluorescent Carbon Dots in Biosensing and Bioimaging : Intrinsically fluorescent carbon dots (CD) were prepared and a new class of nanohybrid consisting of anionic carbon dots protected gold nanoparticle was developed. Carbon dots directly cap GNP to form stable aqueous dispersion of GNP. This nanohybrid acts as fluorescence “turn on” sensor for selective detection of GSH over the other biothiols. GSH triggered fluorescence “on” technique of the nanohybrid has been successfully employed in selective labeling of cancer cells on the contrary to normal cells which could be beneficial for cancer diagnosis in future. 026 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

4. Hydrophobically tailored carbon dots toward modulating microstructure of reverse micelle and amplification of lipase catalytic response - S Sarkar, K Das and P K Das, Langmuir, 32, 3890 (2016).[IF:3.993] 5. Hydrophobic end-modulated amino-acid-based neutral hydrogelators : Structure-specific inclusion of carbon nanomaterials - P Choudhury, D Mandal, S Brahmachari and P K Das, Chem. Eur. J., 22, 5160 (2016).[IF:5.771]

Award/Recognition : Representative Figure. Self-assembled soft matter and carbon (1) Fellow of Indian Academy of Sciences (FASc); (2) MRSI Medal nanomaterials in biosensing. (ACS Applied Materials & Interfaces, 2016, 8, 25691) Ph.D. Degree Awarded : (1) Moumita Ghosh (JU); (2) Deep Mandal (JU). Publications in Journals 1. Fluorescent indicator displacement assay : Ultrasensitive Lectures Delivered : detection of glutathione and selective cancer cell imaging - K Invited talk at (1) Centre for Research in Nanoscience and Das, S Sarkar and P K Das, ACS Applied Materials & Interfaces, Nanotechnology, CU; (2) Department of Chemical Sciences, IISER- 8, 25691 (2016).[IF:7.145] Kolkata; (3) Supramolecular and Polymer Assembly, IACS, Kolkata; 2. Solvent induced morphological evolution of cholesterol based (4) MRSI Medal Lecture; (5) Science Academies Lecture 1 and 2. glucose tailored amphiphiles : Transformation from vesicles to Sponsored Project nanoribbons - D Mandal, S Dinda, P Choudhury and P K Das, Langmuir, 32, 9780 (2016).[IF:3.993] Advance Drug Delivery System (CSIR, Chemical Cluster - IICT) 3. Spontaneous formation of a vesicular assembly by a trimesic acid based triple tailed amphiphiles - S S Dinda, M Ghosh and P K Das, Langmuir, 32, 6701 (2016).[IF: 3.993]

Nanoscale Biosensors : Applicability of on-surface locked nucleic acid (LNA)-based assays as potentially better alternatives over DNA-based approaches, due to enhanced sensitivity and target specificity, has been shown to be valid under varied conditions by our group. Importantly, we have found that LNA-based detection of target DNA sequences, even at the level of single nucleobase mismatch, can be precisely monitored at single molecule level resolution. The LNA-based assay has been tested in detection of gene stretches as relevant to drug-resistant tuberculosis, which is a pressing problem in India.

Nanoscale Bioelectronics : Utility of ferritin in molecular bioelectronics, especially in single molecule electronics based devices, has recently been proposed, since the iron core of holoferritin is semiconducting in nature. However, the practical aspects, e.g., how its electronic properties can be varied/tuned on commercially viable substrates like silicon need to be better addressed. In this direction, we explored electron transport properties of ferritins, and its metal-reconstituted analogues, on silicon substrate using current- sensing atomic force spectroscopy (CSAFS).

Single Molecule Force Spectroscopy (SMFS) of Drug-DNA Complexes : DNA threading intercalators are a unique class of intercalating agents, albeit little Rupa Mukhopadhyay biophysical information is available on their intercalative actions. We have investigated Professor and Head the intercalative effects of nogalamycin, which is a naturally-occurring DNA threading intercalator, by high-resolution atomic force microscopy (AFM) and single molecule Functionalized Bio-interfaces at Nanoscale force spectroscopy (SMFS). The results have been compared with those of the Associates : well-known chemotherapeutic drug daunomycin, which is a non-threading classical (1) J Kolay, SRF (CSIR); (2) H Lahiri, SRF intercalator bearing structural similarity to nogalamycin. The elastic response (Inspire); (3) S Bera, SRF (Inspire); (4) T of single DNA molecules to an externally applied force revealed characteristic Mana, JRF (Institute); (5) P Nath, JRF mechanical fingerprints in the overstretching behaviour, which clearly distinguished (UGC). the nogalamycin/daunomycin-treated dsDNA from untreated dsDNA - the former appearing less elastic than the latter, and the nogalamycin-treated DNA distinguished from the daunomycin-treated DNA - the classically intercalated dsDNA appearing the least elastic. A single molecule AFS-based discrimination of threading intercalation from the classical type has been reported for the first time. ANNUAL REPORT 2016-2017 027

Banerjee, S Sett, S Ghosh, T Rakshit and R Mukhopadhyay, PLoS ONE, 11(5), e0154666 (2016).[IF:3.234] 3. Discriminating unalike single nucleobase mismatches using a molecularly resolved, label-free, interfacial LNA-based assay - H Lahiri, S Mishra, T Mana and R Mukhopadhyay, Analyst, 141, 4035 (2016). (front cover page) [IF:4.107] 4. Molecularly Resolved Label-free Sensing of Single Nucleobase Mismatches by Interfacial LNA Probes - S Mishra, H Lahiri, S Banerjee and R Mukhopadhyay, Nucleic Acids Research, 44(8), 3739 (2016).[IF:9.202]

Sponsored Project • Looking at Histone-Histone Acetyltransferase Complex Figure caption: Molecularly Resolved Label-free Sensing of Single Formation by AFM-based Single Molecule Force Spectroscopy Nucleobase Mismatches by Interfacial LNA Probes, [S. Mishra, (CSIR) H. Lahiri, S. Banerjee and R. Mukhopadhyay*, Nucleic Acids • To Probe Functional Bio-Interfaces by Scanning Probe Research, 44(8), 3739-3749 (2016)] Microscopy at Nanoscale/Single Molecule Level (DST) Publications in Journals Lectures Delivered : 1. Nanoscale on-silico electron transport via ferritins - S Bera, J Invited talk at (1) 13th International Workshop – NMC 2016 at Delft Kolay, S Banerjee and R Mukhopadhyay, Langmuir, 33, 1951 University of Technology, The Netherlands; (2) Bengal Science (2017).[IF:3.993] Lecture 2016 at Ramakrishna Mission Vivekananda University, 2. Discriminating intercalative effects of threading intercalator Narendrapur; (3) Annual Symposium of Indian Biophysical Society, nogalamycin, from classical intercalator daunomycin, using IISER-Mohali. single molecule atomic force spectroscopy - T Banerjee, S

• To understand the role of nonmuscle myosin II in bleb dynamics in tumor cell lines (Funded by DST). • Functional analysis of Nonmuscle myosin IIs and their mutants found in human patients (Funded by DBT) • Dr. Jana’s group has established that A) neurite growth displays biphasic speed (retrograde phase with a negative CNL (change of neurite length per minute) value and protrusion phase with a positive value during neuritogenesis. Neurite’s length is dependent on the relative duration of the two phases. Their study indicate that nonmuscle myosin II- C2 (NM II-C2, neuronal specific spliced isoform of NM II-C) can interact and colocalize with b1- integrin in neurites, and involve in stabilizing neurites by maintaining their structure at adhesion sites. N-terminus region of C2 exon contributes towards neurite stability and neurite growth, because of its polar rich amino acids which provide unique chemical properties of NM II-C2 such as constitutively active form, and unfolded conformation in the neuronal cells. B) NM IIs can act as molecular cue for different types of membrane protrusions in human breast tumor cell, MCF-7. NM-IIA preferably induces blebbing where as NM-IIC1 lamellipodia in MCF-7 cells. In contrast, NMII-B acts as a barrier for bleb formation. Mode of migration of a cell can be fine tuned by the amount of each NMII isoforms.

Siddhartha S Jana Associate Professor Molecular Cell Biology Associates : (1) P Das, RA; (2) M Rani Das, RA; (3) S Das, RA; (4) D Haldar, SRF; (5) R Kr Singh (Int-PhD) 028 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Publications in Journals 5. pH-Triggered sustained drug delivery from a polymer micelle 1. Differential role of nonmuscle myosin II isoforms during blebbing having the b-thiopropionate linkage - P Pramanik, D Halder, of MCF-7 Cells – S K Dey, R K Singh, S Chattoraj, S Saha, A S S Jana and S Ghosh, Macromol Rapid Commun., 18, 1499 Das, K Bhattacharyya, K Sengupta, S Sen and S S Jana, Mol (2016).[IF:4.6] Biol Cell, 28,1034 (2017).[IF:4.8] Lectures Delivered : 2. Structural oscillations of non–muscle myosin II–C2 : Time Invited talk at (1) Jadavpur Unviersity; (2) 5th Int. Conference on resolved confocal microscopy – S Chattoraj, S Saha, D Halder, Molecular Signaling, Madras; (3) Emerging trends in Biology, S S Jana and K Bhattacharyya, Chemistry Select, 2, 953 (2017) Calcutta University; (4) University of Delhi South Campus. 3. Mathematical characterization of protein sequences using Sponsored Project patterns as chemical group combinations of amino acids- J K Das, P Das, K K Ray, P P Choudhury and S S Jana, PLoS One, • Functional Study of nonmuscle myosin II …… dynamics in 11, e0167651 (2016).[IF:3.2] tumor cell line (CSIR) • Functional importance of Nonmuscle myosin II-s …. Human 4. N-terminal polar amino acids of the C2 insert regulate functional patients (DST) properties of Nonmuscle Myosin II-C2 - S Saha, D Halder, S Goswami and S S Jana, FEBS Lett. 590, 4223 (2016).[IF:3.5]

Lipid Droplet (LD): role in the development of zebrafish embryos : In zebrafish, the maternally supplied zygotic lipids play a crucial role in powering the early embryogenesis. Since lipid droplets (LDs) are the organelles for lipid metabolism, LD mediated lipolysis must be vital for early development of zebrafish embryos. Using microscopy and lipidomics, we explore the role of LD mediated lipolysis in early embryogenesis. Until 3 hpf in zebrafish embryos, the LDs undergo extensive lipolysis that generates free fatty acids (FFAs) and alters their size and lipid composition. We demonstrate that these FFAs are involved in the production of embryonic ATPs rather than the maternally supplied FFAs in the yolk. Since maternally supplied pool of ATP is insufficient, an additional short pulse of high embryonic ATP generated by FFAs is needed to drive the protein degradation associated with oocyte-to-embryo transition. Thus LD mediated lipolysis is essential for maintaining the physiological concentration of intra-embryonic ATP.

Deepak Kr. Sinha Assistant Professor Biological physics, Lipid droplets in development. Associates : Left panel shows schematic diagram for routes of ATP generation in the embryo with (1) Ms. A Dutta, SRF (Institute); (2) the source of FFAs (route 1; green tick) that is utilized for the synthesis of ATP. Red M Agarwal (CSIR); (3) P Biswas; (4) crosses indicate the other possible routes (route 2, 3,4) and sources of FFAs that are M Bhattacherya, JRF (CSIR); (5) S not utilized for the synthesis of embryonic ATP until 5 hpf. The right panel depicts the Bhattacharya Postdoc (DST, NPDF). short embryonic ATP pulse (shaded area in green, open symbol, left axis) indicated by the arrow to accomplish the ATP dependent protein degradation (purple solid symbol, right axis) during early embryogenesis.

Sponsored Project • Study of actin filament conformational dynamics (DST) • Study of cell-cell interaction mediated via substrate viscoelasticity (DBT) ANNUAL REPORT 2016-2017 029

Role of Phospholipid In blood coagulation : Coagulation process is highly guided by the phopholipid composition on cell surface. Till date it has been documented that phosphatidyl-serine enhances the coagulation several folds by enhancing TF-FVIIa complex activity but structural and molecular basis of these alteration is not known yet. Role of other lipids are also not studied extensively. So we are trying to address this by computational as well as biochemical way. We have made various composition of lipid bilayer in silico that mimic cell surface environment. We have also modeled our target proteins tissue factor and FVIIa in this process. We have built up the complex system of our protein with different lipid bilayer environment for MD simulation study. We have done MD simulation and tried to understand the structural alteration of TF-FVIIa complex under different lipid environment. To understand the molecular basis of phospholipids function we synthesized phospholipids with modified head groups. With these lipids we have synthesized different vesicles and embed full length TF within these vesicles. We have checked the TF activity by activity assay from where we got a clear picture of role of functional groups of phospholipids in coagulation. Apart From Tissue factor EPCR, primarily known as Protein C receptor also serve as Prosenjit Sen an receptor that can bind FVIIa. Through molecular dynamic study we are trying to find out the binding sites and the binding affinity and role of lipids in binding. Assistant Professor Coagulation Biology and cellular signaling Computer based Model of TF-FVIIa Associates : Complex on lipid Bilayer (1) A Roy (Institute); (2) K Das (CSIR); (3) R Signalling of microparticle formation from cell surface and role of Prasad (Inspire); (4) S Mullik (SPM Fellow); coagulation factors mediated cell signaling : (5) A Bhattacharya (SPM Fellow, joint Microcparticles are the cell shredded circular vesicles carrying important proteins and student with Dr. Deepak Kumar Sinha); (6) cell material. It has been well established that these micro particles plays important M Roy (Inspire); (7) A Singh (Inspire); (8) S physiological roles itself or fusing with other cells. The cellular signaling events Banerjee (CSIR). responsible for this microvesicle formation are not known yet. We could able to find out the signaling cascade of this microvesicle formation against few physiological stimuli and found out the role of these vesicles in cancer propagation. 030 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Apart from coagulation coagulation-factors involve in many this differentiation and migratory property of macrophages. In signaling events like metastasis, angiogenesis by cleaving PAR the course of this work we got a novel finding that monocyte to family receptors. Full signaling cascades have not been elucidated macrophage differentiation is occurring without any added external yet. We have mapped novel signaling cascade initiated by the stimulus only by biophysically manipulate the environment. coagulation proteases and the role of members involved in this We have characterized this differentiation in different substrate signaling cascade. environment. Now have investigated the triggering cause for this auto-differentiation & characterized the underlying signaling events Monocyte to Macrophage differentiation : behind this process. The mononuclear phagocytic system consists of monocytes, We are also trying to evaluate the role of lipid droplet and autophagy which circulates in the blood and the tissue resident macrophage. in this differentiation procedure. During hematopoiesis in the bone marrow, granulocyte-monocyte progenitor cells differentiate into promonocytes, which leave the Publications in Journals bone marrow and enter the blood, where they further differentiate 1. The role of putative phosphatidylserine-interactive residues of into mature monocytes. Monocytes circulate in the bloodstream tissue factor on its coagulant activity at the cell surface – S A for some time, during which they enlarge; then they migrate into Ansari, U R Pendurthi, P Sen and LV Rao PLoS One 11,(6), Doi. the tissues and differentiate into specific tissue macrophages. org/10.1371/journal.pone.0158377 (2016).[IF:3.234] Pro-inflammatory, metabolic and immune stimuli elicit increased recruitment of monocytes to peripheral sites, where differentiation 2. Human prostate cancer hallmarks map - D Datta, M Aftabuddin, into macrophages occurs, contributing to host defense, and tissue D K Gupta, S Raha and P Sen Sci Rep, 6, Doi: 10.1038/ remodeling and repair. There are some macrophages always srep3069 (2016).[IF:5.228] present in the tissue without any infection and that differentiation 3. Structural Modulation of Factor VIIa by Full-length Tissue Factor cause is not known yet. (TF1-263): Implication of Novel Interactions between EGF2 Through this project we deals with monocyte to macrophage domain and TF - R Prasad and P Sen, J Biomol Struct Dyn. 17. differentiation process to characterize the major biophysical Doi: 10.1080/07391102.2017.1289125 (2017).[IF:2.3] changes occurring during this process. Our aim also includes the elucidation of the cellular signaling events responsible for ANNUAL REPORT 2016-2017 031

Centre For Advance Materials Centre for Advanced Materials

Nikhil Ranjan Jana Head of the Department Department Profile People Faculty 02 Post-doctoral Research Associate 01 Ph.D. Students 22 Non-Academic Staff 03 Extra Mural Funding Projects (ongoing) 04 Research Achievements Research papers in Journals (2016-17) 12 Book-Chapters/Books 03 Ph.D. degree awarded 02 Academic Activities Seminars organized 05 Conference/Symposia/School organized 00 Talks delivered by members of department in conferences/ 05 symposia (National) Talks delivered by members of department in conferences/ 00 symposia (International) ANNUAL REPORT 2016-2017 033

Biomedical application of functional nanoparticle: i) TAT peptide and folate functiolzed nanoparticle have been synthesized with controlled multivalency from 10 to 100 and multivalency dependent endocytosis/subcellular trafficking of nanoprobe has been established. Advanced nanobiocojugates with < 20 multivalency have been synthesized for better subcellular targeting and imaging. ii) Nanoparticle form of sugar and green tea polyphenol have been synthesized with 10-1,00,000 times better performance in inhibiting amyloid aggregation and lowering of amyloidogenic cytotoxicity. iii) Zwitterionic poly(trehalose) nanoparticle has been synthesized that works in cell/ mouse model and prevent protein aggregation linked to various neurodegenerative disease.

Nikhil Ranjan Jana Professor and Head Biomedical application of functional nanoparticle Associates : (1) A Chakraborty, SRF (CSIR); (2) N Pradhan, SRF (Institute); (3) C Dalal, SRF (CSIR); (4) H Ali, SRF (CSIR); (5) K Debnath, SRF (Institute); (6) K Mandal, SRF (CSIR); (7) S Ghosh, JRF (CSIR); (8) S Mandal, JRF (CSIR); (9) A Biswas, JRF (CSIR); (10) S Pal, JRF (CSIR); (11) P Panja JRF (CSIR).

Representative Figure: Green tea polyphenol-based self-assembled polymer nanoparticle that performs 10-100 times better than molecular form to combat neurodegenerative disease.

Publications in Journals 1) Efficient inhibition of protein aggregation, disintegration of aggregates and lowering of cytotoxicity by green tea polyphenol - Based self-assembled polymer nanoparticle - K Debnath, S Shekhar, V Kumar, Nihar R Jana and N R Jana, ACS Appl. Mater. Interfaces, 8, 20309(2016).[IF:7.14] 2) Sugar terminated nanoparticles chaperones are 102 to 105 times better than molecular sugars in inhibiting protein aggregation and lowering of amyloidogenic cytotoxicity - N Pradhan, S Shekhar, Nihar R Jana and N R Jana, ACS Appl. Mater. Interfaces, 9, 10554 (2017).[IF:7.14] 3) Multivalency effect of TAT peptide functionalized nanoparticle in cellular endocytosis and sub cellular trafficking - C Dalal and N R Jana, J. Phys. Chem. B, 121, 2942 (2017).[IF:3.19] 4) Inhibition and degradation of amyloid beta (Ab40) fibrillation by designed small pep-tide : A combined spectroscopy, microscopy and cell toxicity study - A Ghosh, N Pradhan, S Bera, A Datta, J Krishnamoorthy, N R Jana and A Bhunia, ACS Chemical Neuroscience, 8, 718 (2017).[IF:4.35] 5) Cysteine-based amphiphilic peptide-polymer conjugates via thiol-mediated radical polymerization : Synthesis, self-assembly, RNA polyplexation and N-terminus fluorescent labeling for cell imaging - M Dule, M Biswas, Y Biswas, K Mandal, N R Jana and T K Mandal, Polymer, 112, 125 (2017).[IF:3.59] 034 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Publications in Books/Book Chapter/Monographs : Ph.D. Degree Awarded : 1. Carbon Nanomaterials for Biological and Medical Applications, (1) Atanu Chakraborty (CU) Sekhar C. Ray and Nikhil R. Jana, Book (ISBN:9780323479073), Elsevier (2017). Lectures Delivered : Invited talk at (1) Haldia Institute of Technology; (2) CSIR-AMPRI, 2. Plasmonic-Fluorescent and Magnetic-Fluorescent Composite Bhopal; (3) ICAN, Guwahat. Nanoparticle as Multifunctional Cellular Probe.” A Saha, SK Basiruddin, NR Jana, Book Chapter, ‘Surface Plasmon Sponsored Project Enhanced, Coupled and Controlled Fluorescence’, John Wiley • Development ….. per Nanoparticle (CSIR) & Sons, 2017. • Nanotechnology ….. Contaminated Water (WTI,DST) Award/Recognition • Development ….. Detction (DST-SERB) • Fellow of West Bengal Academy of Science & Technology (FAScT)

Nanomaterials, Coupled quantum dot, Molecular Assembly, tunneling, transport and Devices : The prime motivation of Acharya’s group is to explore the structure-properties relationship of a variety of nanomaterials. The group has got the expertise to synthesis a variety of nanomaterials, to characterize structures, properties and depending on that, to fabricate a suitable devise. Superfine nanocrystals with a target to reach atomic scale dimension are prepared. Complex heterojunctions and planar materials are the major subject of interest of Acharya’s group. Creating multi-dimensional assemblies of nanocrystals and molecules are of interests. The research of Acharya’s group is directed towards energy generation and savings using nanomaterials and functional molecules.

Publications in Journals 1. Self-powered sensors and flexible triboelectric nanogenerator for powering portable electronics - P K Sarkar, S Maji and S Acharya, Journal of Nanoscience and Nanotechnology, 17, 1 (2017).[IF:1.55] 2. Induced aggregation of AIE-active mono-cyclometalated Ir(III) complex into supramolecular branched wires for light emitting diodes - S Maji, P Alam Gundam, S Kumar, S Biswas, P K Sarkar, B Das, I Rehman, B B Das, N R Jana, I R Laskar and S Acharya, Small, 11, 1603780 (2017).[IF:8.315] Somobrata Acharya 3. Two-Dimensional (2D) nanomaterials towards electrochemical nanoarchitectonics Associate Professor in energy-related applications - A H Khan, S Ghosh, B Pradhan, A Dalui, L Kr Shrestha, S Acharya and K Ariga, Bulletin of the Chemical Society of Japan, 90, Planar materials, heterostructures, 627 (2017) [IF:2.21] assemblies and energy related applications. 4. Solution-Processed freestanding ultrathin two-dimensional PbS nanocrystals Associates : with efficient and highly stable dielectric properties - A H Khan, S Pal, A Dalui, J (1) S Maji (Institute); (2) B Pradhan Pradhan, D D Sarma and S Acharya, Chem. Mater., 29, 1175 (2017).[IF:9.4] (Institute); (3) S Gundam, SRF (Inspire); (4) P Sarkar, SRF (Inspire); (5) S Biswas, SRF 5. Two-Dimensional hybrid organohalide perovskites from ultrathin PbS nanocrystals (CSIR); (6) J Pradhan, SRF (Inspire); (7) T as template - J Pradhan, S Mukherjee, A Ho Khan, A Dalui, B Satpati , Carlo U Kamilya, JRF (UGC-NET); (8) D Roy, JRF Segre, D D Sarma and S Acharya, J. Phys. Chem. C, 121, 6401 (2017).[IF:4.5] (UGC-NET); (9) P Mondal, JRF (Inspire); (10) Publications in Books/Book Chapter/Monographs : A Das, JRF (UGC-NET); (11) S Paul, JRF (UGC-NET); (12) Dr. B Das, RA (Institute) 1. Aspects of One-dimensional Nanostructures: Synthesis, Characterization and Applications Amit Dalui, Ali Hossain Khan, Bapi Pradhan, Srabanti Ghosh and Somobrata Acharya, Materials Nanoarchitectonics Book Chapter Publisher: Wiley- VCH Verlag GmbH & Co. KGaA, Weinheim (Book Chapter)

Patent Filed : • Flexible Rubber device for energy conversion”. Inventors: Jorge Lacayo Pineda, Amit Das, Gert Heinrich, Somobrata Acharya, Piyush Kanti Sarkar, European Patent Applied ANNUAL REPORT 2016-2017 035

Ph.D. Degree Awarded : Other Department Publications in Journals (1) Subrata Maji (CU). 1. Enhanced catalytic activity and magnetization of encapsulated nickel Schiff-base complexes in zeolite-Y : A correlation with the Sponsored Project adopted non-planar geometry - A Choudhary, B Das and S Ray, • Multi-Color …… Active Elements (DST-SERB) Dalton Transactions, 45, 18967 (2016).[IF:4.177] Lectures Delivered : 2. Encapsulated Schiff base nickel complex in zeolite Y : Correlation Invited talk at (1) Discussion Meeting at Dooars, North Bengal; (2) between catalytic activities and extent of distortion supported iCAN 2017, Assam Don Bosco University, Guwahati; (3) NCLA, by experimental and DFT studies - A Choudhary, B Das and S IICT, Hydrabad; (4) IUMRS-2016, IISc Bangalore. Ray, Inorganica Chimica Acta, 462, 256 (2017).[IF:2.046] 3. DST WOS-A: the scenario from recipient’s perspective - R Non-Faculty Members : Gangopadhyay and B Das, Current Science, 11 , 1307 (2016). Dr. Bidisa Das, RA : Theoretical modeling of nanostructures [IF:0.833] (A COMMENTARY) relevant for water remediation, Electronic structure and electronic transport studies of molecules, culsters and other nanostructures. 036 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA ANNUAL REPORT 2016-2017 037

Director’s Research Unit Director’s Research Unit

Santanu Bhattacharya Director and Head of the Department Department Profile People Faculty 01 Post-doctoral Research Associate 04 Ph.D. Students 05 Non-Academic Staff 04 Extra Mural Funding Projects (ongoing) 01 Research Achievements Research papers in Journals (2016-17) 16 Book-Chapters/Books 00 Ph.D. degree awarded 02 Patent Awarded 02 Patent Filed 01 Academic Activities Talks delivered by members of department in conferences/ Several symposia (National) Talks delivered by members of department in conferences/ Several symposia (International) ANNUAL REPORT 2016-2017 039

The research in DRU during the year 2016-17 was focused on interdisciplinary approaches involving biology, soft matter and supramolecular chemistry. In the field of chemical biology, an easily synthesizable probe has been generated for dual mode sensing of glucosamine. Oligo(p-phenylenevinylene) based bis-pyridinium derivatives were also generated for the ratiometric detection of heparin in water. Then the silicon dioxide based MEMS devices were covalently functionalized for robust and efficient optical sensing of female sex pheromones of the pests like Helicoverpa armigera. Quantum dots with a negatively charged nanosurface showed excellent selectivity for paraquat (PQ) at pH 7.4 over other commonly encountered pesticides/herbicides, including diquat (DQ). On the other hand, a long-tailed Me viologen (DMV) formed a co-assembly (1:1) with pyranine to result in pronounced hydrogelation. We have reviewed the syntheses, properties and applications of various gel-nanocomposites assembled from different metal-based nanoparticles or nanocarbons (fullerene, carbon nanotubes (CNTs) and graphenes) with tailor-made supramolecular (small molecular) or polymeric physical organogels and hydrogels. Metal based salen complexes were demonstrated as an important scaffold toward the targeting of DNA structures and liposomal gene carriers were derived from a gemini cationic lipid of the 1,2-bis(hexadecyl di-Me imidazolium) oligo-oxyethylene series as highly efficient cytofectins for pDNA. Santanu Bhattacharya, FNA, FASc, FTWAS Senior Professor, Head and Director Chemical Biology, Biological Membranes, Supramolecular Chemistry, Soft Materials, Molecular Probes, Chemistry of Materials & Biomaterials, Nanoscience and Nanotechnology. Associates : (1) Dr. P Koley (DST Postdoc); (2) Dr. A Pradhan (Inspire Faculty); (3) Dr. P Moitra (Scientist D, TRC); (4) Dr. B Maiti, RA-I (Institute); (5) S Bhunia, SRF (CSIR); (6) B Patra, SRF (CSIR); (7) P Saha, JRF (CSIR); (8) U Yadav, JRF (CSIR); (9) S Sarkar, JRF Figure: (a) Various gel-nanocomposites assembled from different metal-based (Inspire). nanoparticles or nanocarbons (fullerene, carbon nanotubes (CNTs) and graphenes); (b) Metal based salen complexes as an important scaffold toward targeting of DNA structures; (c) Liposomal gene carriers derived from a gemini cationic lipid as highly efficient cytofectins for pDNA; (d) QDs with a negatively charged nanosurface showing excellent selectivity for paraquat (PQ) and (e) oligo(p-phenylenevinylene) based bis- pyridinium derivatives showing ‘ratiometric’ detection of heparin in water.

Publications in Journals 1. Mimicking multivalent protein-carbohydrate interactions for monitoring the glucosamine level in biological fluids and pharmaceutical tablets – N Dey and S Bhattacharya, Chem. Commun., , DOI: 10.1039/C7CC00042A, (2017).[IF: 6.567] 2. Electrochemical probing of hydrogelation induced by the self-assembly of a donor-acceptor complex comprising pyranine and viologen – S Datta, N Dey and S Bhattacharya, Chem. Commun., 53, 2371 (2017).[IF:6.567] 3. Enhanced G-Quadruplex DNA stabilization and telomerase inhibition by novel fluorescein derived salen and salphen based Ni(II) and Pd(II) complexes – A Ali, M Kamra, S Roy, K Muniyappa and S Bhattacharya, Bioconjugate Chem., 28, 341 (2017).[IF:4.513] 4. Heparin triggered dose dependent multi-color emission switching in water: a convenient protocol for heparinase I estimation in real-life biological fluids – N Dey, S K Samanta and S Bhattacharya, Chem. Commun., 53, 1486 (2017).[IF: 6.567] 040 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

5. A novel bio-engineering approach to generate an eminent 15. Carbon-Nanotube-Mediated electrochemical transition surface-functionalized template for selective detection of in a redox-active supramolecular hydrogel derived from female sex pheromone of helicoverpa armigera – P Moitra, D viologen and an L-Alanine-Based amphiphile – S Datta and S Bhagat, R Pratap and S Bhattacharya, Sci. Rep., 6, 37355 Bhattacharya, Chem. Eur. J., 22, 7524 (2016).[IF:5.771] (2016).[IF:5.228] 16. Discovery and structural characterization of G-Quadruplex 6. Utilization of red-light-emitting CdTe nanoparticles for the DNA in human acetyl-CoA carboxylase gene promoters : Its trace-level detection of harmful herbicides in adulterated food role in transcriptional regulation and as a therapeutic target and agricultural crops – N Dey, D Bhagat, D Cherukaraveedu for human disease – M Kaulage, B Maji, J Bhat, Y Iwasaki, S and S Bhattacharya, Chem. Asian J., 12, 76 (2017).[IF:4.592] Chatterjee, S Bhattacharya and K Muniyappa, J. Med. Chem., 59, 5035 (2016).[IF: 5.447] 7. Concentration dependent self-assembly of TrK-NGF receptor derived tripeptide : New insights from experiment and Award/Recognition : computer simulations – P Moitra, Y Subramanian and S • Gandhian Young Technological Innovation (GYTI) Award, Society Bhattacharya, J. Phys. Chem. B, 121, 815 (2017).[IF:3.187] for Research and Initiatives for Sustainable Technologies and 8. Gelation of novel pyrene-cored chiral dendrimers : Dendritic Institutions (SRISTI), New Delhi, India. effect in gelation and shear thinning behavior – S Bhattacharjee, Ph.D. Degree Awarded : B Maiti, D Biswakarma and S Bhattacharya, Macromol. Symp., 369, 14 (2016).[Invited] (1) Parikshit Moitra (IISc.); (2) Bappa Maiti (IISc.) 9. Novel oligopyrrole carboxamide based Nickel(II) and Patent Awarded : Palladium(II) salens, their targeting of human G-quadruplex • Optical nanosensor for early stage detection of bactocera DNA, and selective cancer cell toxicity – A Ali, M Kamra, S oleae infestation. Santanu Bhattacharya, Rudra Pratap, Roy, K Muniyappa and S Bhattacharya, Chem. Asian J., 11, Parikshit Moitra, Deepa Bhagat, Indian Pat. Appl. (2017), IN 2542 (2016). [IF:4.592] 2015CH03696 A 20170120. 10. Soft-Nanocomposites of nanoparticles and nanocarbons with • Surface functionalization for sensing of volatile organic carbonyl supramolecular and polymer gels and their applications – S compounds. Santanu Bhattacharya, Parikshit Moitra, Deepa Bhattacharya and S K Samanta, Chem. Rev., 116, 11967 Bhagat, Indian Pat. Appl. (2016), IN 2014CH05166 A 20160701. (2016).[IF:37.369] • A pheromone detector. Santanu Bhattacharya, Rudra Pratap, 11. Efficient cellular knockdown mediated by siRNA nanovectors Parikshit Moitra, Deepa Bhagat, Indian Pat. Appl. (2016), IN of gemini cationic lipids having delocalizable headgroups and 2014CH05201 A 20160701. oligo-oxyethylene spacers – M Martinez-Negro, K Kumar, • A pheromone detector. Prof. Santanu Bhattacharya, Prof. A L Barran-Berdon, S Datta, P Kondaiah, E Junquera, S Rudra Pratap, Parikshit Moitra, Dr. Deepa Bhagat. PCT Int. Bhattacharya and E Aicart, ACS Appl. Mater. Inter., 8, 22113 Appl. (2016), WO 2016059641 A1 20160421. (2016).[IF:7.145] Patent Filed : 12. A glimpse of our journey into the design of optical probes • Nanogels, methods and devices thereof, for managing Holtrichia in self-assembled surfactant aggregates – N Dey and S Consanguinea. Santanu Bhattacharya, Subham Bhattacharjee Bhattacharya, Chem. Rec., 16, 1934 (2016).[IF: 3.459] and Deepa Bhagat, Indian patent applied (application number 13. New Fe(III) and Co(II) salen complexes with pendant distamycins 2016 41024309). : Selective targeting of cancer cells by DNA damage and • Forecasting of pest incidence : A unique surface functionalized mitochondrial pathways – A Ali, M Kamra, A Bhan, S S Mandal template for the selective detection of pheromone of the Olive and S Bhattacharya, Dalton Trans., 45, 9345 (2016).[IF: 4.177] Fruit Fly, Bactocera oleae, Santanu Bhattacharya, Rudra Pratap, Parikshit Moitra and Deepa Bhagat, European patent applied 14. First report of charge-transfer induced heat-set hydrogel. (application number PCT/IN2017/050025). Structural insights and remarkable properties – S Bhattacharjee, B Maiti and S Bhattacharya, Nanoscale, 8, 11224 (2016). Sponsored Project : [IF:7.760] • J C Bose Fellowship (DST) ANNUAL REPORT 2016-2017 041

Energy Research Unit Energy Research Unit

Debajyoti Das Head of the Department Department Profile People Faculty 01 Post-doctoral Research Associate 02 Ph.D. Students 11 Non-Academic Staff 03 Research Achievements Research papers in Journals (2016-17) 12 Book-Chapters/Books 00 Ph.D. degree awarded 01 ANNUAL REPORT 2016-2017 043

Fabrication of double barrier structures in single layer c-Si–QDs/a-SiOx films for realization of energy selective contacts for hot carrier solar cells : Thin films of c-Si–QDs embedded in a-SiOx dielectric matrix forming arrays of double barrier structures have been fabricated by reactive rf-magnetron sputtering at ~400 °C, without post-deposition annealing. Formation of larger size c-Si–QDs of reduced number density in homogeneous distribution within less oxygenated a-SiOx matrix at higher plasma pressure introduces systematic widening of the average periodic distance between adjacent ‘c-Si–QDs in a-SiOx’, as obtained by X-ray reflectivity and TEM studies. Wave-like pattern in the J-E characteristics identify the formation of periodic double-barrier structures along the path of movement of charge carriers across the QDs and those are originated by the a-SiOx dielectric matrix around the c-Si–QDs. A finite distribution of the size of c-Si–QDs introduces a broadening of the current density peak and simultaneously originates the negative differential resistance (NDR)-like characteristics which have suitable applications in the energy selective contacts that act as energy filters for hot carrier solar cells. A simple yet effective process technology has been demonstrated. Further initiative on tuning the energy selectivity by reducing the size and narrowing the size-distribution of Si–QDs can emerge superior energy selective contacts for hot carrier solar cells, paving ground for accomplishing all-Si solar cells.

Debajyoti Das Senior Professor & Head Nano-crystalline Silicon from SiH4 plasma by RF-Glow Discharge in Capacitively- coupled and Inductively-coupled PECVD; Silicon Quantum-Dots, quantum-wires & superlattice structures, wide band gap and photo-luminescent nanostructured materials e.g., nc-SiCx:H, nc-SiNx:H & nc- SiOx:H for applications in quantum-effect devices; Development and characterization of nano-structured carbon materials e.g., DLC, nano-diamond, CNT and Graphene, by MW-CVD and Magnetron Sputtering; Nanostructured wide band gap conducting Silicon Nanostructures and Quantum Dots for Quantum Effect Devices : oxide films, e.g., ZnO, ITO, SnO & TiO ; 2 2 By precise seeding of the nuclei on various substrates, by proper control of the grain Fabrication & characterization of multi- size and grain boundary states, by further miniaturization of the micro crystals, the junction silicon Solar Cells with amorphous nano-silicon structures are being developed. RF glow discharge CVD of silane in and nanocrystalline combination. optimized parametric condition is being used and silicon quantum dots (Si-QDs) are being prepared in nano-crystalline Si structures with controlled size and distribution. Associates : In addition to the use of hydrogen, which is the conventional diluent to silane in (1) A Kole, RA; (2) A Banerjee, RA; (3) PECVD, argon and helium are also being tried to enhance nano-crystallization and D Kar, SRF; (4) P Mondal, SRF; (5) S to overcome the barriers of associated low growth rate of the material, in view of its Samanta, SRF; (6) A Roy, SRF; (7) L application in the development of quantum-effect devices. Karmakar, SRF; (8) P Makal; JRF; (9) P Nandi; JRF; (10) K Sarkar; JRF; (11) A Dey; Nano-Crystalline Silicon in silicon-oxide, silicon-carbide and silicon- JRF; (12) C Patra; JRF; (13) S Saha; JRF nitride matrix for multifunctional applications : The nc-Si:H films with fairly high ultra-nanocrystallinity and preferred columnar growth along <220> crystallographic orientation associated to low-pressure ICP-CVD growth process deserve enormous promise for applications as the absorber layer in nc-Si solar cells. In view of suitable applications in the window layer of nc-Si p-i-n solar cells in superstrate configuration, the growth of nc-Si Quantum Dots embedded in a-SiOx/a-SiCx/a-SiNx dielectric matrix was studied, considering the trade-off relation between the individual characteristics of its dielectric component to provide a wide optical-gap while the nc-Si–QD component to afford good electrical conductivity, simultaneously retaining enough crystalline linkage in the network. In addition, one step low temperature plasma processed nc-Si–QDs in dielectric matrices demonstrated intense tunable photoluminescence, emerging as a promising alternative for solid- state light emitting devices.

Fabrication of superlattice (SL) thin films and SiOx nanowires with intrinsic nc-Si quantum dots : In order to facilitate widening in optical band-gap utilizing quantum size-effects in silicon nanocrystals (Si-ncs) of few nanometers in dimension, self-assembled Si-ncs embedded in a-Si matrix were grown within a-Si:H/nc-Si:H superlattice (SL) thin films produced by alternating sub-layers of a-Si:H and nc-Si:H from (SiH4+H2)-plasma in 044 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

PE-CVD at 180°C, without post-deposition annealing. A very simple Nanocrystalline Silicon Solar Cells : method was established for the fabrication of amorphous silicon Fabrication of nanocrystalline silicon solar cells with silicon quantum rich oxide nanowires (a-SiOx NWs) with intrinsic nanocrystalline dots and super-lattice structures, are being explored in view of silicon quantum dots (nc-Si QDs) with a high density and controlled their reduced light induced degradation, improved efficiency and size, by thermally annealing thin films of nc-Si quantum dots stable performance. Silicon solar cells with multiple combinations embedded in the a-SiOx matrix, overcoated by an ultra-thin Au of superlattice structures with different dielectric barrier layers catalyst layer. The size and density of the Si-QDs in the basic matrix are expected to evolve as a better outlet for multi-junction solar are controllable by changing the plasma parameters during the cells wherein use of multiple absorber layers of varied optical growth of the nc-Si/a-SiOx thin films. The diameter of the grown gaps enable optimum utilization of solar spectrum and, thereby, SiOx nanowires is controlled by merely varying the thickness of the enhances conversion efficiency. Utilizing enhanced electron density Au-coating. and superior ion flux densities of the high frequency (~27.12 MHz) SiH4 plasma, improved nc-Si films have been produced involving Carbon Nano-tube, Diamond-Like-Carbon and Nano- dominant <220> crystallographic preferred orientation and used Crystalline Diamond thin films for opto-electronic as i–nc-Si absorber layer in nc-Si p–i–n solar cells. applications : A comprehensive program has been undertaken to study the Publications in Journals synthesis and characterize of various nanostructured carbon 1. Further improvements in conducting and transparent thin films e.g., carbon nanotube, diamond-like-carbon (DLC) properties of ZnO:Ga films with perpetual c-axis orientation : and nanocrystalline diamond, etc. Aiming towards a specific Materials optimization and application in silicon solar cells - P application as antireflection coatings (ARC) in Si solar cells, Mondal and D Das; Appl. Surf. Sci., 411, 315 (2017).[IF:3.150] the growth of hydrogenated diamond like carbon (HDLC) films has been optimized on unheated substrates, by RF Magnetron 2. Nanocrystalline silicon thin films from SiH4 plasma diluted by Sputtering, through systematic variations of RF power, gas flow H2 and He in RF-PECVD - S Samanta and D Das; J. Phys. rate, gas pressure and finally controlled introduction of hydrogen Chem. Solids, 105, 90 (2017).[IF:2.048] to the DLC network at its most favorable plasma parameters. 3. Fabrication of double barrier structures in single layer c-Si– Various physical properties of the films e.g., (ID/IG) ratio in the QDs/a-SiOx films for realization of energy selective contacts Raman spectra, percentage of sp3 hybridization in XPS spectra, for hot carrier solar cells - D Kar and D Das; J. Appl. Phys., H-content in the network, etc, have been correlated with different 121, 044305 (2017).[IF:2.101] ARC application properties e.g., transmittance, reflectance, optical band gap, refractive index, surface roughness, etc. By pursuing 4. Effect of hydrogen in controlling the structural orientation of the growth under secondary plasma of (CH4+H2) generated ZnO:Ga:H as transparent conducting oxide films suitable for within stainless steel grid-like multiple mask assembly, while applications in stacked layer devices - P Mondal and D Das; simultaneously protecting the surface from vigorous high energy Phys. Chem. Chem. Phys., 18, 20450 (2016).[IF:4.449] ionic bombardments in Microwave-PECVD, the nanocrystalline 5. Opto-electronic properties of P-doped nc-Si–QD/a-SiC:H thin diamond (NCD) thin films with grains of diameter in the range 7–13 films as foundation layer for all-Si solar cells in superstrate nm and prominent <111> and <200> crystalline diamond planes, configuration - D Kar and D Das; J. Appl. Phys., 120, 025102 along with the ~84.8% sp3 content in the overall carbon network (2016).[IF:2.101] were obtained on unheated substrates at elevated MW power and optimum H2-dilution. Multiwall carbon nanotubes are grown from 6. Highly Conducting and Preferred <220> Oriented Boron (CH4+H2)-plasma in MW-CVD, using Fe as the catalyst through a Doped nc–Si films for Window layers in nc–Si Solar Cells - P tip-growth process. Mondal and D Das; AIP Conf. Proc. 1731, 50037-1–3 (2016). [IF:] Nano-structured Transparent Conducting Oxide Thin Films for Photovoltaic Applications : 7. Optimization of Si:H Films at the Onset of Nanocrystallinity for Applications in silicon solar cells - S Samanta and D Das; AIP Technologically appropriate device friendly ZnO:Ga films have been Conf. Proc. 1728, 020611-1–4 (2016). [IF: ] prepared at a low growth temperature (100 °C) by changing the RF power (P) applied to the magnetron plasma. Structurally preferred 8. Self assembled nc-SiQD/a-SiC thin films from planar ICP-CVD, c-axis orientation of the ZnO:Ga network has been attained with plasma without H2 dilution : a combination of wide optical I<002>/I<103> > 5. The c-axis oriented grains of wurtzite ZnO:Ga gap, high conductivity and preferred <220> crystallographia grows geometrically and settles in tangentially, providing favorable orientation, uniquely appropriate for nc-Si solar cells – D Das conduction path for stacked layer devices. Nano-sheet like and D Kar, RSC Adv., 6, 3860 (2016).[IF:3.289] structures produced at the surface are interconnected and provide conducting path across the surface; however, those accommodate 9. Low temperature grown ZnO:Ga films with predominant a lot of pores in between that help better light trapping and reduce c-axis orientation in wurtzite structure demonstrating high the reflection loss. The optimized ZnO:Ga thin film prepared at RF conductance, transmittance and photoluminescence - D Das power of 200 W has <002> oriented grains of average size ~10 nm and P Mondal; RSC Adv., 6, 6144 (2016).[IF: 3.289] and exhibits a very high conductivity ~200 S cm–1 and elevated 10. Highly conducting and wide band gap phosphorous doped transmission (~93% at 500 nm) in the visible range. The optimized nc-Si–QD/a-SiC films as n-type window layers for solar cells - ZnO:Ga film has been used as the transparent conducting oxide D Kar and D Das; AIP Conf. Proc., 1731, 80027-1–2 (2016). (TCO) window layer of RF-PECVD grown silicon thin film solar [IF:] cells in glass/TCO/p-i-n-Si/Al configuration. The characteristics of identically prepared p-i-n-Si solar cells are compared by replacing Ph.D. Degree Awarded : presently developed ZnO:Ga TCO with commercially available (1) Debjit Kar (CU) U-type SnO2 coated Asahi glass substrates. The ZnO:Ga coated glass substrate offers a higher open circuit voltage (VOC) and Others Departmental Publications in Journals : the higher fill factor (FF). The ZnO:Ga film being more stable in 1. Electrical transport in transverse direction through silicon carbon hydrogen plasma than its SnO2 counterpart, maintains a high alloy multilayers containing regular size silicon quantum dots - A transparency to the solar radiation and improves the VOC, while Mandal, A Kole, A Dasgupta, P Chaudhuri, Appl. Surf. Sci., 387, reduced diffusion of Zn across the p-layer creates less defects 1002 (2016).[IF:3.150] at the p-i interface in Si:H cells and thereby, increases the FF. A nearly identical conversion efficiency is preserved for both TCO 2. Study of VHF plasma etching of Micro/Nano patterned PMMA substrates. coated on ultra thin flexable glass substrates – A Mandal, A Kole, S M Garner, P Chaudhuri; Plasma processes and Polymers, 13, 990 (2016).[IF:2.713] ANNUAL REPORT 2016-2017 045

Inorganic Chemistry Department of Inorganic Chemistry

Tapan Kanti Paine Head of the Department Department Profile People Faculty 09 Post-doctoral Research Associate 01 Ph.D. Students 75 Non-Academic Staff 11 Extra Mural Funding Projects (ongoing) 20 Research Achievements Research Papers in Journals (2016-17) 34 Book-Chapters/Books 04 Ph.D. Degree awarded 09 Academic Activities Seminars Organized 09 Conference/Symposia/School Organized 02 Talks delivered by members of department in conferences/ 30 symposia (National) Talks delivered by members of department in conferences/ 06 symposia (International) ANNUAL REPORT 2016-2017 047

Photophysics and aromaticity were the focus of research. Emission from a 3LLCT

state has been observed for a RuN6. This is rare. On the other hand, it has been shown that an inorganic chelate ring can be aromatic like some organic compounds. It has been discovered that a chelate ring can be Möbius in nature.

Dipankar Datta Publications in Journals : Senior Professor 1. Tuning of the lowest excited states in mixed ruthenium(II) polypyridyl complexes

having RuN6 cores by the conformation of the ancillary ligand. Emission from a Concepts in Chemistry, Coordination 3ligand-to-ligand-charge-transfer state – N K Shee, M G Drew and D Datta, New Chemistry J. Chem., 40, 5002 (2016).[IF:3.277] Associates : 2. Aromaticity of metal acetylacetonates and a Möbius chelate of a cadmium(II) (1) N K Shee, SRF (Institute); (2) S G Patra, complex of an N4 helical ligand – N K Shee and D Datta, Inorg. Chim. Acta., 453, SRF (CSIR). 339 (2016).[IF:2.046]

Beyond Metal Redox : The present results on combined experimental and theoretical studies highlight the use of azo−hydrazo (2e− + 2H+) couple in pure ligand-mediated catalytic dehydrogenation of alcohols. Metal ion of the catalyst behaves innocently and acts as a template. This protocol is a classic shift from the conventional ones in many respects and has generated scopes of designing efficient catalysts with earth-abundant 3d metal ions for their possible application in DAFCs. Mechanistic studies have clearly established that the dehydrogenation process proceeds via hydrogen atom transfer, which is more similar to what happens in enzymatic GO pathway. Our work on similar dehydrogenation reaction using a closely related zinc complex shows very high prospect, which is in progress.

Oligomerization and Cyclization of Aniline : Aerial ortho-C-N bond fusion reactions of aniline using two different mediators III + - viz. [Ru (terpy)Cl3], and [(n-pr)4N] [RuO4] have been followed. It is found that in the case of oxidizable Ru(III) mediator complex, C-N bond fusion is limited only to dimerisation reaction whereas the high-valent Ru(VII) salt mediates multiple C-N bond fusion reactions leading to the formation of a novel tetra-dentate N4- tetraamidophenylmacrocyclic ligand. Valence ambiguity in the complexes of the resultant redox active ligands is scrutinized. Sreebrata Goswami, FASc, FNA Senior Professor and Dean (Administration and Finance) Transition metal complexes of redox active ligands: Studies on their chemical and physical properties Associates : (1) D Sengupta, RA (Institute); (2) M Mitra (SERB Young Scientist); (3) S P Rath, SRF (CSIR); (4) R Pramanick, SRF (CSIR); (5) M Chakraborty, SRF (Inspire); (6) T Saha, JRF (CSIR). 048 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Publications in Journals Ph.D. Degree Awarded : 1. Exclusively ligand-mediated catalytic dehydrogenation of (1) Ipsita Chatterjee (JU); (2) DebabrataSengupta (JU) alcohols - D Sengupta, R Bhattacharjee, R Pramanick, S P Rath, N S Chowdhury, A Datta and S Goswami, Inorg.Chem., Lectures Delivered : 55, 9602 (2016).[IF:4.82] Invited talk at (1) IISER-Bhopal; (2) IIT-Kanpur.

Sponsored Project • JC Bose Fellowship (DST-SERB) • Synergistic …. Catalysis (DST-SERB)

Molecular Recognition Chemical Sensing and Interlocked Molecules : An excited state intra-molecular proton transfer (ESIPT) based highly sensitive ratiometric fluorescence sensor has been developed for selective detection of aluminium (Al3+) in acetonitrile as well as in 90% aqueous system. Moreover, selective

phosphate sensing of a bis-heteroleptic Ru(II) complex, 1[PF6]2 having halogen bonding

iodo-triazole unit over its hydrogen bonding analogue, 2[PF6]2 is demonstrated.

Complex 1[PF6]2, exploiting halogen bonding interaction shows enhanced phosphate recognition in MeCN as well as in aqueous MeCN compared to its hydrogen bonding analogue via considerable amplification of the Ru(II) centre based MLCT emission response and luminescence lifetime (Figure 1). Importantly, single crystal X-ray structure confirms the first ever report on metal assisted second sphere recognition 2- of H2PO4- and H2P2O7 with 1 via solitary C-I…anion halogen bonding interaction. 2+ 2- Further, formation of ion-pair i.e. Fe and [Cl2(H2O)2] coordination driven one dimensional (1D) smart supramolecular helical assembly of a new heteroditopic ligand is achieved which shows thermo and chemo responsive transformation/disassembly/ reassembly of the helical superstructure. On the other hand, a new tris-amino ether macrocyclic wheel based [2] rotaxane is fuctionalized with three tertiary amide groups and it exhibits dynamic behaviour via rotamers formation along with its locking and unlocking properties in presence of Na+ and 18-crown-6 inputs, respectively.

Pradyut Ghosh, FASc Senior Professor & Associate Dean Molecular Recognition, Chemical Sensing and Interlocked Molecules Associates : (1) B Jana (SERB Young Scientist); (2) A Dey (NPDF); (3) P Sarkar (NPDF); (4) S Santra, SRF (Institute); (5) B Chowdhury, SRF (Institute); (6) T Ghosh, SRF (CSIR); (7) S Maji, SRF (CSIR); (8) S Sinha, SRF (CSIR); (9) S Naskar, SRF (CSIR); (10) S Bej, SRF (CSIR); (11) M Nandi, SRF (Inspire); (12) S Sarkar, JRF (CSIR); (13) R Ghosh, JRF (CSIR); (14) S Mondal, JRF (CSIR).

Figure 1. Selective Sensing of Phosphates by a New Bis-Heteroleptic Ru(II) Complex via Halogen Bonding: A Superior Sensor Over Its Hydrogen Bonding Analogue. [Chem. Eur. J., 22, 18051 (2016)].

Publications in Journals 1. Ion-pair coordination driven stimuli-responsive one-dimensional supramolecular helicate - S Naskar, C Dalal and P Ghosh, Chem. Commun., 53, 2487 (2017).[IF: 6.567] 2. Rotamers induced dynamic property of a tri-acetylated oxy-ether tris-amino wheel based [2] rotaxane and stimuli responsive control dynamics - S Santra and P Ghosh, Eur. J. Org. Chem., 1583 (2017).[IF:3.068] ANNUAL REPORT 2016-2017 049

3. Structural diversities in Ag(I) complexes of xylyl platform • Development ….. Metal Salts (DST-SERB) based isomeric bis-NHC ligands : Effects of pyridine wingtip • Development ….. Wastewater (Tata Steel) substituent - B Jana and P Ghosh, New J. Chem., 41, 2131 (2017).[IF:3.227] Lectures Delivered : Invited talk at (1) RAFNM-2017, Dept. of Chem., NIT Patna; (2) 4. A highly sensitive ESIPT-based ratiometric fluorescence sensor 5th SABIC-2017; (3) Discussion meeting on Supramolecular and for selective detection of Al3+- S Sinha, B Chowdhury and P Polymer Assembly, IACS, Kolkata; (4) DST-INSPIRE Program, Ghosh, Inorg. Chem., 55, 9212 (2016).[IF:4.82] JBNSTS, Kolkata; (5) FOMC-2016, IIT Indore; (6) IISER-Bhopal; (7) 5. Selective sensing of phosphates by a new bis-heteroleptic Department of Chemical Sciences, Tezpur University, Tezpur; (8) Ru(II) complex via halogen bonding : A superior sensor over its NIT Durgapur; (9) DST-INSPIRE Program, INDIC, Bhubandswar; hydrogen bonding analogue - B Chowdhury, S Sinha and P (10) DST-INSPIRE Program, Vishva-Bharati, Santinketan; (11) IIT- Ghosh, Chem. Eur. J., 22, 18051(2016).[IF:5.771] Indore; (12) TIFR-Mumbai.

Sponsored Project • Halogen Bonding ….. Recognition and Sensing (DST-SERB)

Bioinspired C-H Bond Halogenation with O2 : An iron–oxygen intermediate species, generated in situ in the reductive activation of dioxygen by an iron(II)–benzilate complex of a monoanionic facial N3 ligand, promoted the halogenation of aliphatic C-H bonds in the presence of a protic acid and a halide anion. An electrophilic iron(IV)–oxo oxidant with a coordinated halide is proposed as the active oxidant. The halogenation reaction with dioxygen and the iron complex mimics the activity of non-heme iron halogenases.

Tapan Kanti Paine Professor and Head Hydroxylation vs Halogenation of Aliphatic C-H Bonds by a Dioxygen-Derived Iron- Oxygen Oxidant: Functional Mimicking of Iron Halogenases [Angew. Chem. Int. Ed., Biomimetic Inorganic Chemistry 55, 7717 (2016)]. Associates : (1) R Singh, PI (DST-Fast Track); (2) G Publications in Journals Gupta (NPDF); (3) R Rahaman, SRF 1. Aliphatic C-C bond cleavage of a-hydroxy ketones by a dioxygen-derived (Institute); (4) S Bhattacharya, SRF (Inspire); nucleophilic iron-oxygen oxidant - S Bhattacharya, R Rahaman, S Chatterjee and (5) S Banerjee, SRF (CSIR); (6) R D Jana, T K Paine, Chem. Eur. J., 23, 3815 (2017).[IF:5.771] SRF (CSIR); (7) I Ghosh, SRF (Institute); 2. Reductive activation of O by nonheme iron(II)-benzilate complexes of N ligands : (8) S Munshi, JRF (CSIR); (9) A Bera, JRF 2 4 effect of ligand topology on the reactivity of O -derived oxidants - B Chakraborty, (UGC); (10) S Mandal, JRF (CSIR). 2 R D Jana, R Singh, S Paria and T K Paine, Inorg. Chem., 56, 359 (2017).[IF:4.820] 3. Mimicking the aromatic ring cleavage activity of gentisate-1,2-dioxygenase by a nonheme iron complex - R Rahaman, B Chakraborty and T K Paine, Angew. Chem. Int. Ed. 55, 13838 (2016).[IF:11.71] 4. Anti-inflammatory activity and enhanced COX-2 selectivity of NO-donating Zn(II)- NSAID complexes - T R Lakshman, J Deb and T K Paine, Dalton Trans., 45, 14053 (2016).[IF:4.177]

5. Catalytic alcohol oxidation and oxygen atom transfer reactions with O2 by a nonheme Iron(II)-a-Keto acid complex - D Sheet and T K Paine, Chem. Sci., 7, 5322 (2016).[IF:9.144]

6. Substrate-dependent aromatic ring fission of catechol and 2-aminophenol with 2O

catalyzed by a nonheme iron complex of a tripodal N4 ligand - T R Lakshman, S Chatterjee, B Chakraborty and T K Paine, Dalton Trans., 45, 8835 (2016).[IF:4.177] 050 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

7. Hydroxylation vs halogenation of aliphatic C-H bond by a Lectures Delivered : dioxygen-derived iron-oxygen oxidant : Functional mimicking of Invited talk at (1) IIT-Indore; (2) University of Bochum, Germany; iron halogenases - S Chatterjee and T K Paine, Angew. Chem. (3) Lund University, Sweden; (4) Humboldt University, Berlin, Int. Ed., 55, 7717 (2016).[IF:11.71] Germany; (5) University of Wurzburg, Germany; (6) University of Gottingen, Germany; (7) New Barrackpore College, Kolkata; (8) Ph.D. Degree Awarded : Raghunathpur College, Purulia; (9) 8th Asian Biological Inorganic (1) Debobrata Sheet (JU). Chemistry Conference (AsBIC8), Auckland, New Zealand; (10) Saldiha College, Bankura; (11) NCL, Pune; (12) Dibrugarh Sponsored Project University, Assam; (13) Basanti Devi College, Kolkata; (14) NIT • Unraveling …. Complexes (CSIR) Rourkella; (15) Calcutta University, Kolkata; (16) KIIT, Bhubandswar; • Cooperative Effect …. Catalysis (DST-SERB) (17) Symposium on Adv. Biol. Inorg. Chem., (SaBIC-2017). • Development of bio-inspired …. in wastewater (Swedish Research Council)

Mechanism of multi-proton and multi-electron processes : The Impact of axial ligand and 2nd sphere hydrogen bonding interactions in O2 reduction by iron porphyrin complexes have been discovered in particular, the factors that determine the selectivity and rate of 4e-/4H+ reduction have been discovered. These factors have been now incorporated in catalyst design to result in better turnover numbers and selectivity.

Publications in Journals 1. Activating Fe (I) porphyrins for the hydrogen evolution reaction using second- sphere proton transfer residues - A Rana, B Mondal, P Sen, S Dey and A Dey, Inorg. Chem., 56, 1783 (2017).[IF:4.82] 2. Mechanism of reduction of ferric porphyrins by sulfide : Identification of a low spin FeIII–SH intermediate - K Mittra, A Singha and A Dey, Inorg. Chem., 56, 3916 (2017).[IF:4.82] 3. Dioxygen bound cobal Ccorroles - B Mondal, K Mittra, A Mahammed, Z Gross and A Dey, Chem. Comm., 53, 877 (2017).[IF:6.57] 4. The way forward in molecular electrocatalysis - A Dey, Inorg. Chem., 55, 10831 (2016).[IF:4.82]

5. In situ Mechanistic investigation of O2 reduction by iron porphyrin electrocatalysts Abhishek Dey using surface-enhanced resonance Raman Spectroscopy coupled to rotating disk Associate Professor electrode (SERRS-RDE) Setup - K Sengupta, S Chatterjee and A Dey, ACS Catal., 6, 6838 (2016).[IF:9.31] Tailor made synthesis of metallo-porphyrin complex and probe, using a combination 6. Theoretical exploration of the mechanism of formylmethanofuran dehydrogenase

of spectroscopic techniques and reactivity, : the first reductive step in CO2 fixation by methanogens - A Rana and A Dey, J. fundamental aspects of the heme active Biol. Inorg. Chem., 21, 703 (2016).[IF:2.54] sites. 7. Valence tautomerism in synthetic models of cytochrome P450 - P K Das, S Associates : Samanta, A B McQuarters, N Lehnert and A Dey, Proc. Natl. Acad. Sci., USA, (1) A Rana, SRF (Integrated Ph.D); (2) S 113, 6613 (2016).[IF:9.42] Chattopadhyay, SRF (Integrated Ph.D); (3) S Dey, SRF (Institute); (4) S Bhunia, JRF Publications in Books/Book Chapter/Monographs : (Integrated Ph.D) (5) M Mukherjee, JRF 1. Handbook porpyrin science - A Dey, World Scientific, p. 89, 2016. (Integrated Ph.D); (6) D Saha, JRF (UGC) 2. Metalloenzymes in Denitrification : Applications and Environmental Impacts - A (7) B Mondal SRF (Institute) (8) A Sarkar, Dey, Royal Society, p. 185, 2017. SRF (Inspire); (9) A Singha, SRF (CSIR); (10) Sk. Amanullah, SRF (CSIR); (11) Md. Sponsored Project E Ahmed, SRF (CSIR); (12) S Bhakta, JRF (CSIR/SPM); (13) P Sen, JRF (CSIR); (14) • Bio-Inspired ….. Surfaces (DST-SERB)

A Ghatak, JRF (UGC); (15) S Bhowmik • H2 Evolution ….. Noble Task (IFCPAR) (DST Fast Track); (16) S Mukherjee, JRF • Bio Inspired …… ½ H2 (MNRE) (CSIR); (17) A Mondal, JRF (CSIR); (18) • Modelling the Active …..A New Begining A Bhattacharya, JRF (UGC); (19) P Das, JRF (CSIR); (20) B Roy (NPDF/DST-SERB) Ph.D. Degree Awarded : (21) D Ganguly (NPDF/DST-SERB); (22) S (1) Kushal Sengupta (CU); (2) Kustuv Mittra (CU); (3) Sudipta Chatterjee (CU). Pramanik (NPDF/DST-SERB). Lectures Delivered : Invited talk at (1) 42nd Int. Conf. on Coordination Chemistry, Brest, France. ANNUAL REPORT 2016-2017 051

Spectroscopic and reactivity studies of heme amyloid beta peptides associated with Alzheimer’s disease : Iron (Fe) is the most abundant transition metal ion in the human body and its role, in the form of heme, has been invoked in Alzheimer’s disease (AD) and Type 2 diabetes melitus (T2Dm). Heme binds both amyloid beta (Ab) and human Islet Amyloid Polypeptide (hIAPP) to form heme-Ab and heme-hIAPP complexes, respectively and - form reactive oxygen species (ROS) like H2O2, O2 etc which are known to cause oxidative damages. However the intermediates involved during ROS formation have not yet been isolated. In this study the oxygen bound intermediates of both heme-Ab(1-16) and heme-hIAPP(1-19) have been isolated and characterized using absorption, EPR and resonance Raman (rR) spectroscopy. Fe-O stretches have been found at 575 cm-1 and 577 cm-1 for heme-Ab(1-16) and heme-hIAPP(1-19) respectively. The oxy intermediates are stable at low temperature. The isolation of the intermediates reveals a mechanistic pathway of ROS generation by the two heme complexes. Heme-Ab can catalytically oxidize ferrocytochrome c (Cyt c(II)) in the presence of

hydrogen peroxide (H2O2). The rate of catalytic oxidation of Cyt(II) c has been found

to be dependent on several factors like concentration of heme(III)-Ab, Cyt(II) c, H2O2, pH, ionic strength of the solution and peptide chain length of Ab. The above features resemble the naturally occurring enzyme cytochrome c peroxidase (CCP) which is known to catalytically oxidize Cyt(II) c in the presence of H O . In the absence Somdatta Ghosh Dey 2 2 of heme(III)-Ab, the oxidation of Cyt(II) c is not catalytic. Thus heme-Ab complex Associate Professor behaves as CCP Bioinorganic Chemistry associated with Alzheimer’s disease and Type 2 Diabetes: Spectroscopy and Kinetics Associates : (1) M Seal, SRF; (2) S Mukherjee, SRF (Institute); (3) C Ghosh, SRF (Institute); (4) I Pal, JRF (UGC); (5) A K Nath, JRF (UGC)

Heme-Ab exhibiting Cytochrome c peroxidase activity

Publications in Journals 1. Spectroscopic definition of the CuZo intermediate in turnover of nitrous oxide reductase and molecular insight into the catalytic mechanism – E M Johnston, C Carreira, S Dell’Acqua, S Ghosh Dey, S R Pauleta, I Moura and E I Solomon, J. Am. Chem. Soc., 139, 4462, (2017).[IF:13.038] 2. Fe-oxy adducts of heme-Ab and heme-hIAPP complexes : Intermediates in ROS generation - M Seal, S Mukherjee and S Ghosh Dey, Metallomics, 8, 1266, (2016). [IF:3.540] 3. Cytochrome c peroxidase activity of heme bound amyloid b peptides - M Seal, C Ghosh, O Basu and S Ghosh Dey, J. Biol. Inorg. Chem., 21, 683, (2016).[IF:2.54]

Publications in Books/Book Chapter/Monographs : 1. Metalloenzymes in Denitrification : Applications and Environmental Impact – S Ghosh Dey, Royal Society of Chemistry, p. 185-224, 2016.

Sponsored Project • Characterization ….. Disease (CSIR). Lectures Delivered : Invited talk at (1) Symposium on Advanced Biological Inorganic Chemistry (SaBIC-2017); (2) St. Xavier’s College, Kolkata; (3) JBNSTC, Kolkata. 052 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Our research goals are centred around the synthesis and characterization of Metal- Organic Frameworks (MOF) and coordination polymers, coupled with identification of structure-property relationships in these systems. As a part of our ongoing research several novel 1D, 2D and 3D coordination polymers have been synthesized using a divergent sterically hindered polydentate ligand, methylenebis(3,5-dimethylpyrazole) (H2MDP). One of the most successful approaches for generating metal-organic frameworks (MOFs) would be reticular synthesis using a secondary building unit (SBU). The strategy is to identify a robust and reproducible building block (SBU) as a vertex and subsequently design a network by linking them with organic ligands of well- defined geometry. This, in effect, can pave the way for the strategic control of vertex geometry in the resulting MOFs, which should enable us to predict the topology of the resulting structure. We have identified a robust and reproducible metal-carboxylate non-cluster type SBU, designed with the proper utilization of the complementary hydrogen bonding of the H2MDP molecule and carboxylate group. Subsequently, we have successfully synthesized a series of coordination polymers based on this tailor-made SBU using benzene polycarboxylic acids as auxiliary ligands. It has been observed that the conformational freedom of the linker molecules plays a crucial role in determining both the dimensionality and topology of the final structure. The Pyrazole molecules possess two different nitrogen atoms, which may be involved Raju Mondal in both metal coordination and/or hydrogen-bonding interactions. The H2MDP Associate Professor molecule has two H-bond acceptor sites as well as two protonated nitrogen atoms, which can be used for hydrogen bond donating purpose. It has been observed earlier Crystal Engineering, Metallogelation, that the hydrogen bonds formed between coordinated H2MDP and carboxylate Magnetic materials, Synthesis and groups play some pivotal role in the metal-organic coordination framework formation. characterization and reactivity studies This prompts us to evaluate the potential of this molecule as a co-crystallization agent of Metal-Organic Frameworks. Role of to produce interesting supramolecular architecture. Accordingly, we have synthesized hydrogen bonds and weak interactions in various interesting supramolecular architectures, including a polyrotaxane type coordination polymers. network, constructed with heterosynthons in cocrystals of H2MDP and acids. We Associates : have been able to identify three major supramolecular synthons that would be helpful (1) S Sengupta, SRF (Institute); (2) A in the prediction of structural motifs for these kinds of studies. Goswami, SRF (Institute); (3) S Bala, SRF Publications in Journals : (Institute); (4) S Bhattacharya, SRF (CSIR); (5) M Roy, SRF (Institute); (6) S Akhtar, SRF 1. Systematic study of mutually inclusive influences of temperature and substitution (CSIR); (7) K Sundar Das, SRF (Inspire); on the coordination geometry of Co(II) in a series of coordination polymers and (8) A De, JRF (Inspire); (9) S Bhowal, JRF their properties - M Roy, S Sengupta, S Bala, S Bhattacharya and R Mondal, Cryst. (UGC); (10) A Adhikari (N-PDF); Crowth & Des., 16, 3170 (2016).[IF:4.425] (11) S Saha, JRF (UGC). 2. Bis-Pyrazole amide based chiral Co(II)-MOFs and their utility in the sphere of CO2 adsorption and photocatalytic waste water treatment - S Bhattacharya, S Bala and R Mondal, RSC Advances, 6, 25149 (2016).[IF:3.289] 3. A novel low molecular weight supergelator showing an excellent gas adsorption, dye adsorption, self-sustaining and chemosensing properties in the gel state - S Sengupta and R Mondal, RSC Advances, 6, 14009 (2016).[IF:3.289] 4. A novel gel-based technique for controlled synthesis of silver nanoparticles showing efficient catalysis, mercury(II) sensing and sequestration-cum-reduction of hexavalent chromium - S Bala and R Mondal, Chem. Select, 2, 389 (2017).[IF:]

Ph.D. Degree Awarded : (1) Satirtha Sengupta (CU); (2) Arijit Goswami (CU); (3) Sukhen Bala (CU).

Sponsored Project • Studies ….. Ligands (DST-SERB) • Studies …. Framework (DST-SERB) ANNUAL REPORT 2016-2017 053

Acid catalyzed condensation reaction and oxidative coupling reactions have been exploited effectively in synthesizing novel, hitherto unknown heterocyclic macrocycles. Two hitherto unknown core modified hexaphyrin analogues have been synthesized and characterized where the conformational dynamics of these macrocycles in the free base form is achieved by the rotation of thienothiophene units. Further unique property of these macrocycles is the Hückel-Möbius topological switching. The thermodynamic equilibrium and kinetics of the interconversion leading to Hückel- Möbius switches has been triggered by external stimuli such as protonation and/ or temperature. Retrosynthetic design, synthesis and characterization of the smallest ever metal free Möbius aromatic Core modified [20] Macrocycles have been achieved by strategically bringing b, b-carbons of N-methyl pyrrole into the core of the macrocycles. The first ever heteroannulenes cross conjugated at two points and four points within the macrocycles via two interesting variations in the hexapyrrolicmacrocycle skeleton have been achieved via inclusion of two N-Methyl pyrrole units into the macrocycle core with a, b or b, b connections. The very first report of [30] heteroannulenes with NIR absorption and protonation induced enhanced NIR emission have been achieved.

Publications in Journals 1. Protonation dependent topological dichotomy of core modified hexaphyrins : synthesis, characterization and excited state dynamics - A Mallick, J Oh M A Harapriya Rath Majewski, M Stepien, D Kim and H Rath, J. Org. Chem., 82, 556 (2017).[IF: 4.785] Assistant Professor 2. Aromatic fused [30] heteroannulenes with NIR absorption and NIR emission : Heterocyclic Macrocycles, Interlocked Synthesis, characterization and excited state dynamics - A Mallick, J Oh, D Kim Molecules, Organic Optoelectronics and H Rath, Chem. Eur. J., 22, 8026 (2016).[IF:5.771] Molecular Magnetism, Tunable Sensors. 3. Induced correspondence of local p-Aromatic sextet in heteroannulenes : Synthesis Associates : and characterization - A Mallick, J Oh, D Kim, M Ishida, H Furuta and H Rath, (1) A Mallick, SRF (CSIR); N Halder, JRF Chem. Eur. J., 22, 5504 (2016).[IF:5.771] (Institute) Sponsored Project • Multifaceted Symmetrical …. Aza-Crown Macrocycles 054 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

We have been engaged in various areas of bio-inspired inorganic chemistry involving 3d, 4d and 5d transition metals and some of the specific topics in which we have been able to build up exciting results in last one year are provided below. • Synthesis, characterization, redox properties and reactivity study for a series of dicobalt(II) complexes housed within a symmetric dinucleating ligand.

• Conversion of NO to N2O by mono and dinitrosyl diiron(II) complexes. • Comparative molecular structures and redox properties for a series of mononuclear bis(dithiolene) Mo(IV) and W(IV) complexes with P, P; S, S; O, S and O, O Donor ligands. • Cleavage of carbon-nitrogen bond in 1,3,5-tri-tert-butyl-1,3,5-triazacyclohexane by copper(I) bromide.

Amit Majumdar Assistant Professor Bio-inspired Inorganic Chemistry Associates : (1) S Khatua, JRF (CSIR); (2) N Pal, JRF (CSIR); (3) M Jana, JRF (CSIR); (4) T Naskar, JRF (CSIR); (5) T Ganguly, JRF Figure: Schematic representation of the research work with Cu(I) mediated C-N bond (CSIR); (6) A Das, JRF (UGC). cleavage. Also shown is the cover page of the book published in 2016 by RSC which contains the book chapter “Model Compounds for Mo-Nitrate Reductases”.

Publications in Journals 1. Cleavage of carbon-nitrogen bond in 1,3,5-tri-tert-butyl-1,3,5-triazacyclohexane by Copper(I) bromide - S Khatua and A Majumdar, J. Mol. Str., 267, 1120 (2016). [IF: 1.753]

Publications in Books/Book Chapter/Monographs : 1. Model Compounds for Mo-Nitrate Reductases (Book Chapter (Chapter 8)0 Metalloenzymes in Denitrification Applications and Environmental Impacts – A Majumdar and S Sarkar, Royal Society of Chemistry, p. 170-184, 2016.

Lectures Delivered : Invited talk at (1) Symposium on Advanced Biological Inorganic Chemistry (SaBIC-2017).

Sponsored Project • Activation …. Complexes (CSIR) • Structural .... Dehydrogenases (DST-SERB) ANNUAL REPORT 2016-2017 055

Materials Science Department of Materials Science

Amitava Patra Head of the Department Department Profile People Faculty 10 Post-doctoral Research Associate 11 Ph.D. Students 64 Non-Academic Staff 03 Extra Mural Funding Projects (ongoing) 09 Research Achievements Research papers in Journals (2016-17) 95 Book-Chapters/Books 02 Ph.D. degree awarded 09 Academic Activities Seminars organized 06 Conference/Symposia/School organized 02 Talks delivered by members of department in conferences/ 41 symposia (National) Talks delivered by members of department in conferences/ 19 symposia (International) ANNUAL REPORT 2016-2017 057

[A] Electron doped C2N monolayer as efficient noble metal-free catalysts for CO oxidation

C2N monolayer, a holey 2D (h2D) network nanostructure with a direct band gap of ~2.5eV is a potential candidate for noble metal-free catalyst, and has been successfully synthesized in the laboratory. We have used state-of-the-art density functional theory

(DFT) approach to investigated the catalytic activity of electron doped C2N monolayer

(O → N) for CO oxidation. Pristine C2N monolayer is chemically inert, and hinders

the adsorption of O2 and CO molecule on it. Oxygen doping in C2N brings additional electrons to the system and introduces donor state below EF. Thus the reactivity of

O-doped C2N (2OC2N) monolayer gets significantly enhanced, thereby opening up

the possibility of its usage as a catalyst. This reactive 2OC2N surface adsorbs an

incoming O2 molecule along with the elongation of O-O bond, making it chemically

active. Presence of this pre-adsorbed active O2 greatly impedes the adsorption of another incoming CO, favoring Eiley-Rideal (ER) mechanism for CO oxidation.This work has been done in collaboration with Dr. RanjitThapa of SRM University.

Gour Prasad Das Senior Professor Electronic, magnetic, catalytic and transport properties of Carbon based 2D nanostructures have been investigated using first-principles approach. In search of noble-metal free catalysts, two novel systems have been explored viz. (a) electron doped C2N monolayer ideal for CO oxidation (b) T6 carbon, a novel metallic allotrope of carbon, whose [100] surface turns out to be catalytically active towards oxygen reduction reaction (ORR). Ref: Soubhik Chakrabarty, Tisita Das, Paramita Banerjee, RanjitThapa, G.P. Das, Appl. Surf. Sci. 418, 92 (2017). Two-dimensional Graphene/h-BN heterostructure and their 1D counterparts have been investigated both for phase separated [B] Exploring the catalytic activity of pristine T6[100] surface for oxygen and non phase separated structures. A reduction reaction : number of possible configurations of zigzag T6 is a new and interesting allotrope of carbon thatcontains both sp3 (C1) and sp2 nanoribbons of B-C-N composite structure (C2) hybridized C atoms. This metallic form of Carbon was predicted to be stable have been studied for their electronic and under ambient condition. We have proposed a new metal-free catalyst i.e T6[100] magnetic properties. surface, where the sp2-C maintains the high metallicity needed to reduce ohmic Associates : loss and the sp3–C helps in capturing the upcoming molecules, thereby making it a (1) AHM Abdul Wasey, SRF (IBIQuS potential candidate for ORR. The top layered C1atom of the surface is found to be Project); (2) S Chakrabarty, SRF; (3) P more active towards the oxygen reduction reaction (ORR), as compared to that of C2 Banerjee, SRF; (4) T Das, SRF (Inspire); atom. As estimated from free energy profile, the over-potential is much lower when (5) M Mukherjee (Women Scientist WoS-A. C1 is considered as the active site and the final step i.e desorption of final OH−ion is found to be the potential determining step. Collaborators : (1) Dr. R Thapa (SRM Univ); (2) Prof. K K Chattopadhyay (Jadavpur Univ); (3) Prof. B N Dev (Mat Science)

[Paramita Banerjee, SoubhikChakrabarty, Ranjit Thapa and G.P. Das, Appl. Surf. Sci. 418, 56 (2017).] 058 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

[C] Graphene wrapped Copper Phthalocyanine (CuPc) 2. Exploring the catalytic activity of pristine T6[100] surface for nanotube: Enhanced photocatalytic activity for industrial oxygen reduction reaction : A first-principles study - P Banerjee, waste water treatment : S Chakrabarty, R Thapa and G P Das, Appl. Surf. Sci., 418, 56 To improve the photocatalytic performance of metal (2017). [IF:3.15] phthalocyanine based catalyst, Copper Phthalocyanine (CuPc) 3. Photodegradation characteristics of RGO - CuPc composite functionalized reduced graphene oxide (RGO) nanocomposite - M Mukherjee, U Kr Ghorai, M Samanta, G P Das and K K has been synthesized through modified Hammers method. The Chattopadhyay, Appl. Surf. Sci., 418, 156 (2017).[IF:3.15] obtained product was characterized by XRD, FTIR spectroscopy, 4. 3d-Transition metal induced enhancement of molecular UV–vis and HRTEM. The photocatalytic activity of the RGO/ hydrogen adsorption on Mg(0001) surface : An ab-initio study - Cu Pcnanocomposite was performed by the degradation of P Banerjee and G P Das, AIP Conf. Proc., 1731, 080028 (2016). Rhodamine B (RhB) under visible light irradiation. The photocatalytic studies revealed that the RGO/CuPc nanocomposite exhibits Award/Recognition much stronger catalytic behavior than the pristine CuPc nanotube. • Distinguished Presentation Speaker, Air Force Research A plausible mechanism for the photodegradation of RhodamineB Laboratory, USA (RhB) was suggested. The RGO wrapped CuPc nanotube • Honorary Adjunct Professor, Heritage Institute of Technology. composite materials offer great potential as active photocatalysts for degradation of organic pollutions in industrial waste water. Sponsored Project The experimental work has been carried out in collaboration with • IBIQus (BARC) Prof. K.K. Chattopadhyay and his group in Jadavpur University. Lectures Delivered : [Moumita Mukherjee, Uttam Kumar Ghorai, MadhupriyaSamanta, Invited talk at (1) Air Force Research Laboratory, Dayton, USA; Angshuman Santra, Gour P. Das, Kalyan K. Chattopadhyay, Appl. (2) Vanderbilt University, Nashville, USA; (3) Indian Science Surf. Sci 418, 156(2017).] Congress-2017; (4) Prof. S. Sengupta Memorial Lecture, Jadavpur University; (5) Bhaktivedanta Institute & Bharatiya Vidya Mandir; (5) Publications in Journals Heritage Institute of Technology, Kolata; (6) ACCMS-VO11, Tohoku 1. Electron doped C2N monolayer as efficient noble metal-free University, Sendai; (7) IMDC Workshop, UNSW Sydney; (8) UNSW catalysts for CO oxidation – S Chakrabarty, T Das, P Banerjee, School of Photovoltaic & Renewable Energy Engineering; (9) R Thapa and G P Das, Appl. Surf. Sci., 418, 92 (2017).[IF:3.15] ACCMS Theme Meeting, SRM University; (10) IMURS-ICEM 2016, Singapore (11) Uniersity of Kentaucky, Louisville, USA.

High density nonmagnetic phase of cobalt in cobalt thin films : In polycrystalline cobalt thin films, grown on Si(111), we have discovered the existence of ultrathin superdense nonmagnetic cobalt layers. The densities of these layers are about 1.3-1.4 times the normal density of Co. These high density nonmagnetic (HDNM) cobalt layers have been observed in cobalt films which were exposed to air and a thin cobalt oxide layer has formed at the top. The HDNM cobalt layers have also been observed in cobalt films which were capped by thin gold layers in order to prevent surface oxidation upon air exposure. Instead of growing the cobalt film on

Si when the film is grown on SiO2, the HDNM cobalt layers are not formed. These have been revealed by X-ray reflectometry (XRR) and polarized neutron reflectometry (PNR) experiments. The magnetic depth profile, obtained by PNR, shows that the superdense Co layers, near the top of the film and at the film-substrate interface, are nonmagnetic. The major part of the Co film has the usual density and magnetic moment. Additional techniques like transmission electron microscopy (TEM), secondary ion mass spectrometry (SIMS) and Rutherford backscattering spectrometry (RBS) have been used for the investigation.

Bhupendra N Dev, FASc, FNASc Senior Professor Self-organized epitaxial nanostructures; Magnetism and other phenomena in thin films; Surfaces and interfaces; Ion irradiation effects in thin films and multilayers. Associates : (1) K Das, RA-I; (2) C Maji (DST Woman Scientist); (3) N Banu, SRF (CSIR/Institute).

Collaborators : (1) A Roy (University of Texas at Austin, USA); (2) Prof. G P Das (Materials Science, IACS); (3) S Singh (BARC); (4) S. Basu Figure: Polarized neutron reflectivity (PNR) and spin asymmetry (SA) plots for a CoO/ (BARC); (5) V Lauter (Oak Ridge National Co/Si(substrate) system. Formation of high density nonmagnetic layers (about 30 Å Laboratory, USA); (6) B Satpati (SINP); each) near the CoO/Co and Co/Si interfaces are seen in the inset of the top panel (7) I Das (SINP); (8) P Chakraborty (SINP). [Sci. Rep. 7 (2017) 41856]. ANNUAL REPORT 2016-2017 059

Exchange bias in presence of high density nonmagnetic Publications in Journals cobalt layer : 1. Real time investigation of the effect of thermal expansion The negative magnetic exchange bias in the antiferromagnetic(AFM)/ coefficient mismatch on film-substrate strain partitioning in ferromagnetic(FM) CoO/Co system is well known. However, in Ag/Si systems - D Das, N Banu, B Bisi, J Mahato, V Srihari, the presence of HDNM Co layers in the Co film, in addition to the R Haldar and B N Dev, J. Appl. Phys., 120, 135301 (2016). standard negative exchange bias, a temperature independent [IF:2.101] positive exchange bias is also observed. This positive exchange 2. Evidence of formation of superdense nonmagnetic cobalt - N bias is observed even at room temperature. This phenomenon is Banu, S Singh, B. Satpati, A Roy, S Basu, P Chakraborty, H C attributed to the spin-glass-like behavior of the spins at the grain P Movva, V Lauter and B N Dev, Sci. Rep., 7, 41856 (2017). boundaries of the HDNM Co grains in the polycrystalline Co film. [IF:5.228] Growth of nickel monosilicide by ion irradiation : 3. Nanoscale h-NiSi formation via ion irradiation of Si/Ni/Si - N Banu, B Satpati, A Bhukta and B N Dev, J. Appl. Phys. 121, TiSi , CoSi NiSi etc. are used to make contact with source, drain and 2 2 045302 (2017).[IF:2.101] gate in metal oxide semiconductor field effect transistor (MOSFET) in semiconductor technology. As the size of the transistor reduces 4. Ion irradiation effects on a magnetic Si/Ni/Si trilayer and lateral with every generation, NiSi has become the most desirable contact magnetic-nonmagnetic multistrip patterning by focused ion material beyond the 45 nm node technology. NiSi has the lowest beam - B N Dev, N Banu, J Fassbender, J Grenzer, N Schell, resistivity among all transition metal silicides. However, in growing L Bischoff, R Groetzschel and J McCord, Indian J. Phys., NiSi by standard thermal processing one encounters problems DOI:10.1007/412648-017-1025-z.[IF:1.166] of agglomeration and contamination by other phases like NiSi2. 5. Fluence dependent oscillatory amorphization and recrystallization We have shown that by ion irradiation both these problems can in ion irradiation -N Banu, B Satpati, A Bhukta and B N Dev, be avoided and a nanoscale uniform thin film of pure NiSi can be Nucl. Instr. Meth. Phys. Res., https://doi.org/10.1016/j. formed. We have investigated ion irradiation effect in a Si(5 nm)/ nimb.2017.02.043.[IF:1.389] + Ni(15 nm)/Si system by irradiating them with 1 MeV Si ions. At 6. Sign reversals of magnetoresistance in ion-irradiated Co/Cu 17 2 an ion fluence of 3x10 ions/cm nanoscale h-NiSi structures are multilayers at high fluencies - N Banu, I Das, B N Dev, AIP formed. Conference Proceedings, DOI : 10.1063/1.4980493.

Sign reversals of magnetoresistance in Co/Cu multilayers Ph.D. Degree Awarded : by ion irradiation : (1) Debolina Das (JU) Giant magnetoresistance (GMR) in antiferromagnetic Co/Cu multilayers was first observed in 1991. Irradiating such multilayers Sponsored Project with energetic ion beams can modify their properties. Ion irradiation • Quantum Structure - IBIQuS (BARC) is a well-known technique to modify structure and properties of materials. Ion irradiation can modify magnetic multilayers in Lectures Delivered : many different ways. We have observed a novel phenomenon Invited talk at (1) Amsterdam, The Netherlands; (2) International of sign reversals of magnetoresistance (MR) in ion-irradiated Frontier Forum on Quantum Information 2016, Chengdu, China; antiferromagnetically coupled Co(1.1nm)/[Co(1.1 nm)/Cu(0.9 nm)] (3) CEMAT-2016, Bengaluru; (4) Intl. Conf., Lanzhou, China; x50 multilayer, grown on a Si substrate. The multilayer samples (5) Tsinghua University, Beijing, China; (6) Conference-cum- have been irradiated with 1 MeV Si+ ions in the fluence range Workshop, Patna; (7) National Conference, Shillong; (8) Silver 1x1014 – 1x1017 ions/cm2 under high vacuum at room temperature. jubilee Conference of UGCDAE-CSR, Indore; (9) International At 2K MR is negative for the pristine sample (-42%) and remains Conference at Mumbai; (10) International conference at Bangkok, negative for the sample irradiated at the lowest fluence (-31%). MR Thailand; (11) International Conference at Chennai; (12) Discussion switches from negative to positive at a fluence of 5x1014 ions/cm2 meeting at Dooars; (13) Seminar on Twist and Turn in Physics and remains positive up to the irradiation fluence of 5x1016 ions/ Research, Kolkata; (14) 2nd International Conference at Durgapur. cm2. Further sign reversal of MR from positive to negative occurs at the fluence of 1x1017 ions/cm2. These effects are attributed to ion-irradiation-induced interface disorder and defects and change in their concentration as a function of ion fluence. 060 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Rare earth manganates :

Undoped and Na-doped(10 mol%) GdMnO3 compounds are prepared by the sol–gel method. Sintering of these compounds at 1000º C for 12 h results in the formation of well grown, defect-free tiny single crystals of size ~200 nm. Detailed microstructural analyses of the compounds are done by Rietveld analysis of the XRD patterns. Refined structural and microstructural parameters obtained from the Rietveld analysis

suggest that Na doping in GdMnO3 reduces the octahedral and Jahn–Teller distortion and increases the structural stability of the compound.

Atomic level representation of (a) GdMnO3 (b) Gd0.9Na0.1MnO3. Tanusree Kar EDX analysis confirms the expected composition of the prepared compounds. Microstructure modification due to Na doping is correlated with modification in Senior Professor magnetic ordering. Temperature and magnetic field dependent magnetization Rare earth manganets, Nonlinear optical measurements reveal the alteration of the low temperature magnetic behavior of

materials, crystal and molecular structure GdMnO3 on 10 mol% Na doping. The Mn spin ordering temperature of GdMnO3

determination. increases from 44 K to 51 K after doping. A high coercive field of 749 Oe of GdMnO3 and 589 Oe of Gd0.9Na0.1MnO at 5 K is recorded from M–H measurements. Associates : 3 Monovalent Na doping in GdMnO decreases structural distortion and increases the (1) R Chakraborty, RA-1 (till December 3 magnetic transition temperature. 2016). Nonlinear optical material : Collaborators : (1) S K Pradhan (University of Burdwan); (2) An amino acid salt di-valine maleic (VM) has been synthesized for the first time and S Kr Seth (Jadavpur University). single crystals were grown by the controlled evaporation of the aqueous solution at constant temperature and molecular structure of VM was determined by single crystal X-ray diffraction analysis. X-ray crystallography reveals that VM possesses different two-dimensional supramolecular networks through hydrogen bonding interactions. Investigation of intermolecular interactions and crystal packing via Hirshfeld surface analysis clearly quantify the interactions within the crystal structure. The physicochemical properties of the grown crystal were characterized by thermal and optical analysis and measurement of hardness. The second harmonic generation efficiency of VM was investigated by powder method and found to be 0.3 times to KDP. The dipole moment, polarizability, first order hyperpolarizability and the HOMO– LUMO energy gap of VM were calculated using B3LYP functional and 6-31G(d,p) basis set to confirm the suitability of the crystal for nonlinear optical applications. First hyperpolarizability was found to be 5 times of urea.

Publications in Journals 1. Synthesis, crystal growth and characterization of di-valine maleic – a new nonlinear optical material - S Adhikari, T Kar and S K Seth, RSC Adv., 6, 99139 (2016). [IF:3.3] 2. Structural, optical characterization and growth mechanism of kadamba flower like ZnO nanocrystals synthesized by a simple chemical route - S Kundu, S Sain, T Kar and S K Pradhan, Chemistry Select, 1, 3705 (2016).[Launched in 2016, will receive its first partial impact factor in 2018] 3. Effect of sodium doping on the microstructure, lattice distortion and magnetic properties of GdMnO3 tiny single crystals - A Nandy, A Roychowdhury, T Kar, D Das and S K Pradhan, RSC Adv., 6, 20609 (2016).[IF:3.3] ANNUAL REPORT 2016-2017 061

Semiconductor Nanocrystals : Anisotropic shaped Sn4+ doped CdO nanocrystals of average size 2-3 nm reveal plasmon absorption band in visible to infrared region by tuning morphology, like octahedron, truncated octahedron, cuboctahedron, highly anisotropic “X”/“T,” and “Y” shaped nanocrystals, tadpole shaped, self-assembled cube, triangular/tripod. High visible transparency (~80%) and large electrical conductivity ( ~103 S.cm-1) result in high figure of merit ideal for transparent electrodes. A potent photocatalyst and fast response photodetector is found in magnetically separable

Ag@Ni/Zn1-xMgxO system. Magnetic Material : Field-cooled (FC) magnetization reveals a broad peak around 75 K and then becomes zero at about 20-24 K, due to anti-parallel coupling 3+ 3+ 1-x between Cr and Yb moments in YbCr RuxO3 system. Simulation of temperature dependent Subodh Kumar De magnetization data, below Neel temperature Senior Professor based on sub-lattice model predicts stronger intra-sublattice exchange interaction than that Low Temperature Physics, Semiconducting of inter-sublattice. The symmetric exchange Nanostructures, Magnetic Materials constant and antisymmetric DM constant Associates : decrease with increase of Ru concentration, (1) S Ghosh, SRF (CSIR); (2) B Sarkar, SRF due to different occupation number and orbital (CSIR); (3) B Dalal SRF; (4) S Paul, SRF symmetry of 4d shell compared to 3d orbital of Cr ion. Easily tunable magnetic state, (Inspire); (5) S K Pradhan, JRF (Inspire); (6) ZFC exchange anisotropy, normal and inverse magnetocaloric effect are the most

A Sarkar, JRF (Inspire); (7) Dulal Barman, remarkable findings in Ru doped YbCrO3. JRF (CSIR) Publications in Journals : 1. Shape controlled plasmonic Sn doped CdO colloidal nanocrystals : A synthetic route to maximize the figure of merit of transparent conducting oxide - S Ghosh, M Saha, S Paul, and S K De, Small, 13, 1602469 (2017).[IF:8.643]

2. Evolution of magnetic properties and exchange interactions in Ru doped YbCrO3 - B Dalal, B Sarkar, V Dev Ashok and S K De, J. Phys.: Condens. Matter, 28, 426001 (2016).[IF:2.649] 3. Highly efficient photocatalytic activity of CuO quantum dot decorated rGO nanocomposites - S Dutta, K Das, K Chakrabarti, D Jana, S K De and S De, J. Phys. D: Appl. Phys., 49, 315107 (2016).[IF:2.588]

4. Large exchange bias effect in LaCr0.9Ru0.1O3 - B Sarkar, B Dalal and S K De, Journal of Magnetism and Magnetic Materials, 417, 160 (2016).[IF:2.630] 5. Enhanced photophysical properties of plasmonic magnetic metal- alloyed semiconductor heterostructure nanocrystals: a case study for the

Ag@Ni/Zn1-xMgxO system - S Paul, S Ghosh, M Saha and S K De, Phys. Chem .Chem. Phys., 18, 13092 (2016).[IF: 4.123]

Sponsored Project • Magnetic …. Semi Conductor (UGC-DAE) Lectures Delivered : Invited talk at (1) EMCA-2017, Durgapur; (2) AMP-2017, National Institute of Technology, Durgapur; (3) Variable Energy Cyclotron Centre, Kolkata; (4) CSIR- Advanced Research Institute, Bhopal; (5) Indian Institute of Technology, Patna; (6) UGC-DAE Consortium, Indore; (7) Assam Kaziranga University, Jorhat. 062 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Porous nanomaterials for energy, environment and biomedical applications : A wide range of organically functionalized and inorganic mesoporous materials as well as a series of porous organic polymers (POPs) and covalent organic frameworks (COFs) have been synthesized through hydrothermal/solvothermal or condensation/ polymerization of molecular building blocks in the presence or absence of the templates. These materials are thoroughly characterized by using powder XRD, N2 sorption, SEM/TEM-EDX, FTIR, UV-Vis., photoluminescence spectroscopy, ion- chromatography, TG-DTA, solid state MAS NMR, etc. Eco-friendly liquid and gas phase organic transformations are carried out using these porous nanomaterials as heterogeneous catalyst under mild conditions. CO2 storage potential of these functionalized porous materials as adsorbent as well as heterogeneous catalysts for the CO2 fixation reactions for the synthesis of value added fine chemicals are explored. Some of these porous nanomaterials are also employed as drug-delivery vehicle for targeted delivery of anti-cancer drugs.

Publications in Journals 1. A new hybrid iron phosphonate material as an efficient catalyst for the synthesis of adipic acid in air and water - P Bhanja, K Ghosh, S S Islam, S M Islam and A Bhaumik, ACS Sustainable Chemistry & Engineering, 4, 7147 (2016).[IF:5.95] Asim Bhaumik 2. Novel nitrogen and sulfur rich hypercrosslinked microporous poly-triazine- thiophene copolymer for superior CO2 capture - S K Kundu and A Bhaumik, Senior Professor ACS Sustainable Chemistry & Engineering, 4, 3697 (2016).[IF:5.95] Functionalized porous nanomaterials 3. Organic-Inorganic hybrid metal phosphonates as recyclable heterogeneous for gas storage, metal ion sensing, ion- atalyst - P Bhanja and A Bhaumik, ChemCatChem, 8, 1607 (2016).[IF:4.80] exchange, catalysis, energy storage and drug-delivery applications. 4. Porous nanomaterials as green catalyst for the conversion of biomass to bioenergy - P Bhanja and A Bhaumik, Fuel, 185, 432 (2016).[IF:4.61] Associates : (1) S K Kundu, SRF (CSIR); (2) V Kumari, 5. A new benzimidazole based covalent organic polymer having high energy storage SRF (CSIR); (3) R Gomes, SRF (CSIR); (4) capacity - B C Patra, S Khilari, P Satanarayana, S Pradhan and A Bhaumik, S Bhunia, SRF (CSIR); (5) S Mondal, SRF Chemical Communications, 52, 7592 (2016).[IF:6.32] (CSIR); (6) P Bhanja, SRF (CSIR); (7) B C 6. A new triazine-based porous organic polymer having good CO2 gas adsorption Patra JRF (DST-INSPIRE); (8) S Chatterjee property and an efficient organocatalyst for the one-pot multi-component JRF (Inspire); (9) S K Das, JRF (UGC). condensation reaction - P Bhanja, S Chatterjee and A Bhaumik, ChemCatChem, Collaborators : 8, 3089 (2016).[IF:4.80] (1) S M Islam; (2) C Mukhopadhyay. 7. Functionalized graphene oxide as an efficient adsorbent for CO2 capture and support for heterogeneous catalysis - P Bhanja, S K Das, A K. Patra and A. Bhaumik, RSC Advances 6, 72055 (2016).[IF:3.11] 8. Chiral Co(III)-salen complex supported over highly ordered functionalized mesoporous silica for enantioselective aminolysis of racemic epoxides - M M Islam, P Bhanja, M Halder, S K Kundu, A Bhaumik and S M Islam RSC Advances, 6, 109315 (2016).[I F:3.11] 9. Surface-exposed Pd nanoparticles supported over nanoporous carbon hollow tubes as an efficient heterogeneous catalyst for the C-C bond formation and hydrogenation reactions. A Modak and A Bhaumik, Journal of Molecular Catalysis A: Chemical, 425, 147 (2016). [IF:4.22] 10. An efficient mesoporous carbon nitrides (g-C3N4) functionalized Pd catalyst for carbon-carbon bond formation reactions - S Elavarasan, B Baskar, C Senthil, P Bhanja, A Bhaumik, P Selvam and M Sasidharan, RSC Advances, 6, 49376 (2016).[IF:3.11] 11. Magnetic memory effect in self-assembled nickel ferrite nanoparticles having mesoscopic void spaces - V Kumari, K Dey, S Giri and A Bhaumik, RSC Advances, 2016, 6, 45701 (2016).[IF:3.11] 12. High-throughput Acid-Base Tandem Organocatalysis over Hollow Tube-Shaped Porous Polymers and Carbons - A Modak and A Bhaumik, ChemistrySelect, 6, 1192 (2016). 13. Strongly coupled Mn3O4-Porous organic polymer hybrid : A robust, durable and potential nanocatalyst for alcohol oxidation reactions - K Dhanalaxmi, R Singuru, S K Kundu, B M Reddy, A Bhaumik and J Mondal, RSC Advances, 6, 36728 (2016).[IF:3.11] ANNUAL REPORT 2016-2017 063

14. Mesoporous polyacrylic acid supported silver nanoparticles 25. Functionalized porous nanomaterials as efficient heterogeneous as an efficient catalyst for reductive coupling of nitrobenzenes catalyst for eco-friendly organic transformations - P Bhanja and alcohols using glycerol as hydrogen source - U Mandi, A and A Bhaumik, Journal of Nanoscience and Nanotechnology, S Roy, S K Kundu, S Roy, A Bhaumik and S M Islam, Journal 16, 9050 (2016).[IF:1.48] of Colloid and Interface Science, 372, 202 (2016).[IF:4.23] 26. Integrated experimental and theoretical study of shape- 15. Silver nanoparticles embedded over porous metal organic controlled catalytic oxidative coupling of aromatic amines over framework for carbon dioxide fixation via carboxylation of CuO nanostructures - R Singuru, Q T Trinh, B Banerjee, B G terminal alkynes at ambient pressure - R A Molla, K Ghosh, Rao, L Bai, A Bhaumik, B M Reddy, H Hirao and J Mondal, B Banerjee, M A Iqubal, S M Islam and A Bhaumik, Journal of ACS Omega, 1, 1121 (2016). Colloid and Interface Science, 477, 220 (2016).[IF:4.23] 27. Magnetic nanohybrid decorated porous organic polymer 16. CO2 fixing at atmospheric pressure: porous ZnSnO3 : Synergistic catalyst for high performance levulinic acid nanocrystals as a highly efficient catalyst for synthesis of cyclic hydrogenation - K Dhanalaxmi, R Singuru, S Mondal, L Bai, carbonates - S Roy, B Banerjee, S M Islam and A Bhaumik, M M Reddy, A Bhaumik and J Mondal, ACS Sustainable RSC Adv., 6, 31153 (2016).[IF:3.11] Chemistry & Engineering, 2017, 5, 1033 (2017).[IF:5.95] 17. A new triazine functionalized luminescent covalent organic 28. Triazine containing N-rich microporous organic polymers framework for nitroaromatic sensing and CO2 storage - R for CO2 capture and unprecedented CO2/N2 selectivity - S Gomes and A Bhaumik, RSC Adv., 6, 28047 (2016).[IF:3.11] Bhunia, P Bhanja, S K Das, T Sen and A Bhaumik, Journal of Solid State Chemistry, 247, 113 (2017).[IF:2.3] 18. A new Cu-anchored mesoporous organosilica material for facile C-S coupling reactions under microwave irradiation - P 29. A facile approach for the synthesis of hydroxyl rich Bhanja, R Gomes, P Satanarayana and A Bhaumik, Journal of microporous organic networks for efficient CO2 capture and Molecular Catalysis A: Chemical, 415, 104 (2016).[IF:4.22] H2 storage - S Mondal, S K Kundu and A Bhaumik, Chemical Communications, 2017, 53, 2752 (2017).[IF:6.32] 19. A new method for wall-thickness and void-space control over Pt hollow nanospheres for catalytic hydrogen evolution 30. Cascade synthesis of selective dihydro pyridazino fused - M Sasidharan, P Bhanja, C Senthil and A Bhaumik, RSC acridinone derivatives via MCM-41 catalyzed ring-opening / Advances, 6, 11370 (2016).[IF:3.11] ring-closure reaction - R Karmakar, A Bhaumik, B Banerjee and C Mukhopadhyay, Tetrahedron Letters, 58, 622 (2017). 20. A highly ordered N-rich functionalized mesoporous material [IF:2.35] for CO2 storage application - P Bhanja, M Sasidharan and A Bhaumik, Journal of Nanoscience and Nanotechnology, 16, 31. NASICON type ordered mesoporous lithium-aluminum- 9223 (2016).[IF:1.48] titanium-phosphate as electrode materials for lithium-ion batteries - P Bhanja, C Senthil, A K Patra, M Sasidharan and 21. Functionalized SBA-15 supported nickel (II)-oxime-imine A Bhaumik, Microporous & Mesoporous Materials, 240, 57 catalysts for liquid phase oxidation of olefins under solvent- (2017).[IF:3.61] free conditions - L Paul, B Banerjee, A Bhaumik and M Ali, Journal of Solid State Chemistry, 237, 105 (2016).[IF:2.3] 32. A new triazine based covalent organic polymer for high- performance capacitive energy storage - P Bhanja, K Bhunia, 22. Activated alumina balls under neat conditions : A green catalyst S K Das, D Pradhan and A Bhaumik, ChemSusChem, 10, 921 for the synthesis of spiro-heterocyclic scaffolds by ring- (2017).[IF:7.23] opening versus annulation of the isatin moiety - A Mondal, B Banerjee, A Bhaumik and C Mokhopadhyay, ChemCatChem, Ph.D. Degree Awarded : 8, 1185 (2016). [IF:4.8] (1) S K Kundu (JU); (2) R Gomes (JU). 23. Copper(II) incorporated functionalized polystyrene catalyzed N-arylation of amides under solvent free condition with broad Sponsored Project substrate scope - M M Islam, M Halder, S Chatterjee, A • Multifunctional ….. Water (DST-SERB) Bhaumik and S M Islam, RSC Advances, 6, 109692 (2016). • Organic-inorganic hybrid ….. delivery systems (DST) [IF:3.11] Lectures Delivered : 24. Organic solid acid catalyst for efficient conversion of furfuryl Invited talk at (1) IIT-ISM, Dhanbad. alcohol to biofuels - M M Islam, S Bhunia, R A Molla, A Bhaumik and S M Islam, Chemistry Select, 1, 6079 (2016). 064 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

The grapheme-based nanomaterials opens up an opportunity to many researchers for developing new kind of graphene based architectures in the field of solar energy conversion and various optoelectronic devices. Our efforts are focused to design graphene-Semiconducting and graphene-porphyrin/polymer composite. These composites open up new possibilities in solar energy conversion, photovoltaic and various potential applications.

We are interested in studying and tuning the optical behavior of doped carbon dots and energy/charge transfer between C-dots with organic molecules and inorganic nanocrystals for the development of light harvesting system. Amitava Patra, FASc, FNASc Senior Professor, Head and Associate Dean Our research interests on nanomaterials based light harvesting systems and understand their photophysical properties. Associates : (1) Dr. P Mitra, RA; (2) Dr. S Das, RA; (3) M Barman, SRF (CSIR); (4) R Bera, SRF (CSIR); (5) B Jana, SRF (CSIR); (6) D Bain, SRF (CSIR); (7) A Ghosh, JRF (CSIR); (8) A Dutta, JRF (Inspire); (9) S Maity, JRF (CSIR); (10) G Ghosh, JRF (CSIR). Metal nanoclusters (NCs) are ultrasmall particles below 2 nm in size, consisting of several to a hundred atoms. Due to strong quantum confinement, nanoclusters exhibit molecular-like properties, such as d–sp and sp–sp transitions, intense fluorescence and intrinsic magnetism. There are tremendous opportunities in applications of NCs in the field of photonics, biophotonics, catalysis and biomedicine. We try to understand the ligand effect on energy transfer of metal clusters and design metal cluster-QD composites for sensing applications. ANNUAL REPORT 2016-2017 065

Publications in Journals : 11. Graphene induced porphyrin nano-aggregates for efficient 1. Nanoscale strategies for light harvesting – S Kundu and electron transfer and photocurrent generation - B Mondal, R A Patra, Chem. Rev., 117, 712, (Thematic Issue, Light Bera, S K Nayak and A Patra, J. Mater. Chem. C, 4, 6027 Harvesting) (2017).[IF:47.928] (2016).[IF:5.06] 2. Light harvesting and photocurrent generation in a conjugated 12. Efficient white light generation from ionically self-assembled polymer nanoparticle-reduced graphene oxide Composite - triply-fluorescent organic nanoparticles - S Das, T Debnath, A A Ghosh, B Jana, S Maiti, R Bera, Hirendra N Ghosh and A Basu, D Ghosh, A K Das, G A Baker, and A Patra, Chem. Eur. Patra, ChemPhysChem, 18, 1 (2017).[IF:3.13] J., 22, 8855 (2016).[IF:5.77] 3. Design of CdTeSe/Porphyrin/Graphene composite for photo- 13. A ternary system of quantum dot-porphyrin - semiconducting induced electron transfer and photocurrent generation - R organic nanoparticles for light harvesting - S Mandal, R Bera, Bera, B Jana, B Mondal and A Patra, ACS Sustainable Chem. B Mondal, S K. Nayak and A Patra, Synthetic Metals, 222 76 Eng., 5, 3002 (2017).[IF:5.26] (Invited paper for Special Issue Organic/Inorganic Hybrids) (2016).[IF: 1.829] 4. Strategy towards designing semiconducting polymer nanoparticle – Multichomophoric dye assembly - S Das, B 14. Graphene oxide - porphyrin nanorod composites for solar light Jana, T Debnath, A Ghoshal, A Kr Das and A Patra, J. Phys. harvesting - R Bera, S Mandal, B Mondal, B Jana, S K Nayak Chem. C, 121, 4050 (2017).[IF:4.50] and A Patra, ACS Sustainable Chem. Eng., 4, 1562 (2016). [IF:5.26] 5. Silver (I) induced conformation change of DNA: Gold nanocluster as spectroscopic probe - D Bain, B Paramanik, Publications in Books/Book Chapter/Monographs : and A Patra, J. Phys. Chem. C, 121, 4608 (2017).[IF:4.50] 1. Growth and properties of sulfide semiconductor nanostructures 6. Structural and electronic investigation of metal-semiconductor encyclopedia of semiconductor nanotechnology - A Datta and hybrid tetrapod hetero-structures - K K Haldar, V Y Muley, A Patra, American Scientific Publishers, USA, Vol. 3, chapter 7, S Datar and A Patra, Gold Bulletin, (accepted) DOI:10.1007/ Page 235, Editor, Ahmad Umar (2017). s13404-017-0198-8 2017.[IF:2.32] 2. Porphyrin Based Functional Nanomaterials and Their 7. Size of CdTe quantum dots controls the hole transfer rate in Functionalities Molecular Materials – A Patra, Book Chapter, CdTe quantum dots-MEHPPV polymer nanoparticles hybrid - CRC Bandbook, Molecular Materials, 2017, pp 29-55 (DOI : B Jana, A Ghosh, S Maiti, D Bain, S Banerjee, H N Ghosh and 10.1201/9781315118697-3). A Patra, J. Phys. Chem. C, 120, 25142 (2016).[IF:4.50] Sponsored Project 8. Functionalized dye encapsulated polymer nanoparticle • Photophysical ….. Nanostructure (DST-SERB) attached with BSA Scaffold as efficient antenna materials • Decay …. Application (DAE) for artificial light harvesting - B Jana, S Bhattacharyya and A Patra, Nanoscale, 8, 16034 (2016).[IF:7.60] Lectures Delivered : 9. Making and breaking of DNA-metal base pairs: Hg2+ and Au Invite talk at (1) IISER, Kolkata; (2) Ramakrishna Mission nanocluster based Off/On Probe - B Paramanik, D Bain, and Vidyamandira, Belur Math; (3) Munich University, Germany; (4) A Patra, J. Phys. Chem. C, 120, 17127 (2016).[IF: 4.50] LHP-2017, Banz Monastery, Germany; (5) ABSMSNW-2017, IIT- BHU; (6) IPCBS-2017, Gour Vishwavidyalaya, Sagar; (7) Institute 10. Light harvesting and white light generation by multistep of Nano Science and Technology, Mohali; (8) ISMC-2016, BARC, cascade energy transfer in carbon dot- dye encapsulated BSA Mumbai; (9) IIT-Kanpur; (10)12th JNC Research Conference, protein capped gold nanoclusters composite - M K Barman, Trivandrum; (11) Ramakrishna Mission Vivekanande Centenary B Paramanik, D Bain and A Patra, Chem. Euro J, 22, 11699 College, Rahara; (12) IUMRS-ICEM-2016, Singapore. (2016).[IF:5.77] 066 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

A new method for photoassociative cooling and trapping of interacting atoms has been proposed. This is based on Sisyphus-like laser cooling scheme using counter- propagating photoassociation (PA) lasers. We have shown that the center-of-mass (c.m.) motion of atom-pairs can be trapped in molecular spin-dependent periodic optical potentials. We have theoretically investigated into the manipulation of interactions between excited and ground-state atoms at nanoscale separations by using cavity quantum electrodynamics (CQED). We have studied interaction potentials and low-energy collisions between different alkali atoms and alkali ions. We have further shown that it is possible to form a cold molecular ion by photoassociative two-photon Raman processes. We have analyzed physical conditions under which coherent population transfer is possible in stimulated Raman PA in ion–atom cold collisions. We have studied the effects of vacuum-induced coherence on magneto- optical rotation. This effect can be realized in cold molecular gases and can serve as a sensitive probe for VIC. We have developed a theory for the microscopic interaction between matter and an optical vortex beyond paraxial approximation, showing how superposition of vortex states of BEC can be created with a focused optical vortex. Using model potentials which mimic finite-range s-wave interactions over a wide range of scattering length, we have studied the effects of the effective range of interaction on the eigenvalues and eigenstates of two particles confined in a three- dimensional isotropic as well as one- or quasi-one dimensional harmonic traps.

Bimalendu Deb Professor Theoretical atomic, molecular and optical sciences Associates : (1) A Paul, SRF (Institute); (2) D Sardar, JRF (CSIR); (3) S Mal, JRF (CSIR); (4) K Adhikary, JRF (DST Proj.); (5) S Naskar (Honorary Research Fellow); (5) S Saha (Honorary Research Fellow).

(a) A 1D scheme for realization of the proposed photoassociative cooling and trapping (PACT) of an interacting pair slowly moving atoms 1 and 2 subjected a pair of counter-propagating PA lasers along z axis. (b) Molecular potentials and PA process. (c) Energy-level diagram showing formation of spatially varying [w.r.t. c.m. coordinate] spin-dependent ground-state potentials under (d) Optical pumping (green lines) and spontaneous transition (curvy brown lines having width proportional to the probability of transition) at mentioned c.m. coordinate where light is left circularly polarized. (e) Same as (d) where light is right circularly polarized.

Publications in Journals : 1. Manipulating nanoscale atom-atom interactions with cavity QED - A Pal, S Saha and B Deb, J. Phys. B: At. Mol. Opt. Phys., 49, 245502 (2016).[IF:1.833] 2. Formation of a molecular ion by photoassociative Raman processes - D Sardar, S Naskar, A Pal, H Berriche and B Deb, J. Phys. B: At. Mol. Opt. Phys., 49, 245202 (2016). [IF: 1.833] 3. Two-photon photoassociation of a pair of interacting atoms in a trap - P Goswami, A Pal, S Saha and B Deb, Asian journal Physics, 25, …. (2016). [IF: ...] 4. Optical cooling of interacting atoms in a tightly confined trap - S Naskar, S Saha , P Goswami, A Pal and B Deb, Asian journal of Physics, 25, 1331 (2016).[IF:...] 5. Photoassociative cooling and trapping of a pair of interacting atoms - S Saha, S Naskar and B Deb, Phys. Rev. A, 94, 023413 (2016).[IF:2.765] 6. Interaction of atom with nonparaxial Laguerre-Gaussian beam : Forming superposition of vortex states in Bose-Einstein condensates - A Bhowmik, P K Mondal, S Majumder and B Deb, Phys. Rev A, 93, 063852 (2016).[IF:2.765] 7. A model study on a pair of trapped particles interacting with an arbitrary effective ANNUAL REPORT 2016-2017 067

range - P Goswami and B Deb, Phys. Scr., 91, 085401 (2016). Sponsored Project [IF:1.194] • Theoretical …. Potential (DST-SERB) 8. Probing vacuum-induced coherence via magneto-optical rotation in molecular systems - P Kumar, B Deb and S Dasgupta, Lectures Delivered : Phys. Rev. A, 93, 063826 (2016).[IF:2.765] Invite talk (1) NCAMP-XXI, Physical Research Laboratory, 9. Interactions and low-energy collisions between an alkali ion and Ahmedabad; (2) SINP Colloquium, SINP, Kolkata. an alkali atom of a different nucleus - A Rakshit, C Ghanmi, H Berriche and B Deb, J. Phys. B: At. Mol. Opt. Phys., 49, 105202 (2016).[IF:1.833]

Antiferro-ferromagnetic transition in ultrathin Ni(OH)2 layer grown on graphene surface and observation of interlayer exchange coupling in Ni(OH)2/graphene/Ni(OH)2 nanostructures The major limitation of using graphene as a potential spacer element in interlayer exchange coupling (IEC) might be due to destruction of ferromagnetism as a result of the charge transfer effect at the interface if a transition metal based ferromagnetic layer is grown on the graphene surface. To overcome this problem, we have used the antiferromagnetic Ni(OH)2 layer grown on the graphene surface to convert it ferromagnetic due to the charge transfer effect. By growing thin layers of Ni(OH)2 on both sides of the graphene surface, strong antiferromagnetic IEC with ultralow coercivity (7 Oe) is observed. By lowering the nickel content, an ultrathin layer of Ni(OH)2 is grown on either side of graphene and shows complete ferromagnetism with a giant coercivity of 4154 Oe. Ab initio calculations have been done to substantiate this kind of charge transfer effect at the interface of Ni(OH)2 and graphene. Magnetotransport of the composite material is also investigated to understand the role of IEC in transport properties. [Appl. Phys. Lett. 110, 032404, 2017]

Shyamal Kumar Saha Professor Electrical, optical and magnetic properties of graphene based functionalized nanostructures are investigated. Antiferro- ferromagnetic transition in ultrathin Ni(OH)2 layer grown on graphene surface Amorphous molybdenum sulfide quantum dots: an efficient hydrogen and observation of interlayer exchange evolution electrocatalyst in neutral medium coupling in Ni(OH)2/graphene/Ni(OH)2 To overcome the limitations of active edges, electrical conductivity and the surface nanostructures. Amorphous molybdenum area of MoS2nanosheets, in the present work, we have successfully synthesized sulfide quantum dots have been used to amorphous MoSx quantum dots with a larger number of edge atoms using a achieve an efficient hydrogen evolution simple chemical reaction via a bottom-up approach. Structural and chemical electrocatalyst in neutral medium. Origin of characterizations are carried out by TEM, XRD, Raman and XPS measurements. XPS high storage capacity in N-doped graphene and EDX analyses indicate a larger number of unsaturated ‘S’ atoms in these ultrafine quantum dots has been explored. Highly amorphous quantum dots. We have used this material as an efficient electrocatalyst luminescent N-doped carbon quantum for the hydrogen evolution reaction (HER) in neutral medium. The material shows dots from lemon juice with porphyrin- a remarkably low overpotential (65 mV) towards HER compared to that of other like structures surrounded by graphitic crystalline MoS2 quantum dots or nanomaterials. The origin of such a low onset network have been synthesized for sensing potential is the presence of more unsaturated sulfur (S2 2-) ligands and enhanced applications and High selectivity in water active edge sites. It also shows very high catalytic activity as well as good stability soluble MoS2 quantum dots for sensing after 12 h of hydrogen generation in neutral water medium. [J. Mater. Chem. A. 4, nitro explosives 15486–15493, 2016] Associates : (1) D Dinda, SRF (SPMF); (2) S Bhattacharya, SRF (Inspire); (3) M Banerjee, SRF (Inspire); (4) S Mandal, (Honorary); (5) M Miah, SRF (Inspire); (6) T Kr Mondal, SRF (CSIR); (7) D Halder, SRF (CSIR); (8) P Hota, SRF (CSIR); (9) T Mandal, JRF (CSIR); (10) A Debnath JRF (Inspire); (11) S Bag JRF (Inspire); (12) C Majumder, JRF (Inspire); (13) A Ghosh (SERB-NPDF); (14) S Bose, RA (Institute). 068 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Origin of high storage capacity in N-doped graphene In addition to predominant electron transfer (ET), Froster resonance quantum dots energy transfer (FRET) also occurs here. [J. Mater. Chem. C, 4, Study of high performance supercapacitor using doping and edge 6321, 2016] states in graphene is an interesting area of research, however, the Publications in Journals storage capacity and understanding of the origin of enhancement are still in its infant stage. In the present work, nitrogen doped 1. Realization of 2D ferromagnetism with giant coercivity in ultrathin graphene quantum dot (N_GQD) is synthesized to enhance the b-Ni(OH)2 layers grown on MoS2 surface - S Bhattacharya, D storage capacity exploiting both the doping level as well as edge Dinda, B K Shaw, S Dutta and S K Saha, PHYSICAL REVIEW states. The results are compared with undoped graphene quantum B, 93, 184403 (2016).[IF:3.736] dot and doped large graphene sheet. It is seen that the highest 2. Amorphous molybdenum sulfide quantum dots: an efficient value of average specific capacitance (509 F g1) is achieved in hydrogen evolution electrocatalyst in neutral medium - D Dinda, case of N_GQD. The origin of this high performance is explained Md. Estak Ahmed, S Mandal, B Mondal and S K Saha, J. Mater. on the basis of trap states created by both dopants and edge Chem. A., 4, 15486 (2016).[IF:8.262] states which can adsorb charge carriers to enhance the storage 3. High selectivity in water soluble MoS2 quantum dots for sensing capacity.The charge transport in N_GQD sample is also studied on nitro explosives, D Haldar, D Dinda and S K Saha, J. Mater. the basis of trap induced electron transport. [Electrochimica Acta, Chem. C, 4, 6321 (2016).[IF:5.066] 222 709, 2016] 4. Antiferro-ferromagnetic transition in ultrathin Ni(OH)2 layer grown on graphene surface and observation of interlayer exchange coupling in Ni(OH)2/graphene/Ni(OH)2 nanostructures - S Bhattacharya, E Mathan Kumar, R Thapa and S K Saha, Appl. Phys. Lett., 110, 032404 (2017).[IF:3.142] 5. Origin of high storage capacity in N-doped graphene quantum dots - M Miah, S Bhattacharya, A Gupta and S K Saha, Electrochimica Acta, 222, 709 (2016).[IF:4.803] 6. Highly luminescent N-doped carbon quantum dots from lemon juice with porphyrin-like structures surrounded by graphitic Highly luminescent N-doped carbon quantum dots from network for sensing applications - T K Mondal, A Gupta, B K lemon juice with porphyrin-like structures surrounded Shaw, S Mondal, U K Ghorai and S K Saha, RSC Adv., 6, by graphitic network for sensing applications and High 59927 (2016).[IF: 3.289] selectivity in water soluble MoS2 quantum dots for 7. Large magnetodielectric effect in composites of Fe2O3 SiO2 sensing nitro explosives nanoglass and mesoporous silica - S Chatterjee, R Maiti, S K Green synthetic approach is followed to synthesize water-soluble, Saha and D Chakravorty, J. Phys. D: Appl. Phys., 49, 255001 nitrogen-doped, fluorescent carbon quantum dots (NCQDs) from (2016).[IF:2.772] lemon juice and ammonia by hydrothermal treatment. These 8. NiO Nanoparticle synthesis using a triblock copolymer : new NCQDs consist of a ring type moiety (porphyrin/chlorin) in Enhanced magnetization and high specific capacitance of the centre surrounded by the graphitic network and serve as an electrodes prepared from the powder - S Chatterjee, R Maiti, M efficient fluorescent probe for label-free, sensitive, and selective Miah, S K Saha and D Chakravorty, ACS Omega, 2, 283 (2017) detection of Fe3+ with a detection limit of 140 ppb (2.5 mM), [IF:] which is remarkably lower than the earlier reports on CQDs-based sensing systems. DFT calculations are carried out to optimize the 9. Tunable color in 2,6-diaminopyridine-functionalized graphene structural aspects for selective detection of Fe3+. This extremely oxide - S Mondal, D Dinda, B K Shaw and S K Saha, J. Phys. low detection limit (140 ppb) arises due to static quenching in Chem. C, 120, 11085 (2016).[IF:4.509] addition to dynamic quenching. [RSC Adv. 6, 59927, 2016 ] Ph.D. Degree Awarded : (1) Sumit Mandal (JU); (2) Abu Jahid Akhtar (JU); (3) Abhisek Gupta (JU); (4) Bikash Kumar Shaw (JU).

Sponsored Project : • Optical and electrical ….. cell application (DST-SERB) Lectures Delivered : Invite talk at (1) NIMS, Tsukuba, Japan; (2) Osaka University, Japan; (3) Tokyo Institute of Technology, Japan; (4) Tohoku University; (5) University of Tokyo, FNTG-2017; (6) Kun Shan University, Taiwan; (7) Yulin University, Taiwan; (8) National Formosa University, Taiwan; Rapid and selective detection of nitro explosives is one of the (9) Symposium on advances in smart and functional materials most promising issues concerning global security. In the present CSIR-AMPRI (Plenary presentation) work, water soluble MoS2 quantum dots (QDs) are synthesized through a bottom-up approach. The as-synthesized QDs detect 2,4,6-Trinitrophenol (TNP) selectively upto 2.04 ppm and selectivity reaches >90 % which is remarkably higher than the earlier results. ANNUAL REPORT 2016-2017 069

While it was speculated that 5d4 systems due to strong spin-orbit coupling would posses non-magnetic J = 0 ground state, this state has remained elusive to

experimentalists till now. A puzzling case is of Ba2YIrO6, which in spite of having a perfectly cubic structure with largely separated Ir5+ ions has shown presence of magnetic moments in numerous recent reports. Theoretical calculations by two groups however, contradict each other on the presence of magnetic moments in this system. We find from Resonant Inelastic X-ray Scattering (RIXS), the values of

spin-orbit coupling (l~0.39 eV) and Hund’s exchange (JH~0.26 eV) for Ba2YIrO6 are

comparable. Although this establishes a relativistic Mott insulating state in Ba2YIrO6, the SOC is not strong enough to stop moment generation via antiferromagnetic superexchange hopping. From Muon Spin Relaxation (μSR) and heat capacity measurements we show that these tiny nearest neighbour Ir-Ir spins form singlets that resonate between different degenerate configurations giving rise to a spin-liquid ground state persisting down to 60 mK. Novel spin-charge decoupled excitations are thus demonstrated in this compound using RIXS, heat capacity and μSR, where the charge excitations are gapped and the spin excitations are gapless.

Sugata Ray Associate Professor Experimental material science: Structure property relationship, magnetic and dielectric studies of single and polycrystalline materials and water purification. Associates : (1) A Nag (Institute); (2) P Aich, SRF (CSIR); (3) A Bandyopadhyay, SRF (CSIR); (4) S Islam (Institute); (5) R Ali Saha, JRF (CSIR); (6) Md. S Khan (UGC); (7) S Bera, JRF (CSIR). Developing environmentally friendly waste for disposal is always a hard task, especially developing non-hazardous arsenic waste with huge arsenic content. We have recently developed a method of arsenic immobilization from contaminated water by synthetically trapping it into a mineral-like structure, similar to a natural mineral named Tooeleite. In this paper, we present the US EPA based TCLP short term stability test and long term stability test (emulating acid rain) results of these artificially synthesized mineral-like nanocrystals. It was observed that the formed mineral-like waste passes the US EPA based TCLP test convincingly. However, a striking factor was the amount of arsenic leaching in long term stability test compared to short term test, which does question the appropriateness of US EPA TCLP test for arsenic in actual leaching conditions where acid rain precipitation is very common.

Publications in Journals : 1. Efficient artificial mineralization route to decontaminate Arsenic(III) polluted water - the Tooeleite Way - A Malakar, B Das, S Islam, C Meneghini, G De Giudici, M Merlini, Yury V. Kolenko, A Iadecola, G Aquilanti, S Acharya and S Ray, Scientific Reports (NPG) 6, 26031 (2016).[IF:5.228] 070 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

2. Rapid decadal evolution in the Groundwater Arsenic content of 6. Misjudging frustrations in spin liquids from oversimplified use of Kolkata, India and its correlation with the practices of her dwellers Curie-Weiss law - A Nag and S Ray, J. Magn. Magn. Mater., - A Malakar, S Islam, Md. Ashif Ali and S Ray, Environmental 424, 93 (2017).[IF:2.357] Monitoring and Assessment, 188, 584 (2016).[IF:1.679] Sponsored Project 3. Metal-insulator transition in Ba Fe Ru O : an interplay 3 1-x 2+x 9 • Synthetic mineralization …… from water (DST) between site-disorder, chemical percolation, and electronic structure - S Middey, P Aich, C. Meneghini, K Mukherjee, E V Patent Filed : Sampathkumaran, V Siruguri, P Mahadevan and S Ray, Phys. • “Method for instantaneous 2-line ferrihydrite synthesis in-situ Rev. B, 94, 184424 (2016).[IF:3.718] using layered hydroxides and its consequent use in removing 4. Normal cationic order versus La-O covalency: origin of all arsenic and other contaminants from groundwater and industrial waste water” has been filed by Sugata Ray et al.; physical properties in LaA(Ca,Ba)VMoO6 double perovskites - A Bandyopadhyay, S K Neogi, A Paul, Carlo Meneghini, Patent application number 201631036642 (E-11/1/2017/KOL). I Dasgupta, S Bandyopadhyay and S Ray, Phys. Rev. B, 95, Lectures Delivered : 024432 (2016). [IF:3.718] Invited talk at (1) Thirst, IACS, Kolkata; (2) Jogesh Chandra 5. Influence of synthesis conditions on tunnelling magnetoresistance College, Kolkata; (3) SNBNCBS, Kolkata; (4) IISER-Kolkata; (5) IOP,

mechanisms in Sr2FeMoO6 - A Nag, S Jana, S Middey and Bhubaneshwar; (6) IISc-Bangalore. S Ray, Indian Journal of Physics (invited review) 3, 1 (2017). [IF:1.166]

The 2D Symmetry Loss and Anisotropic Growth in Ternary Semiconductor Nanocrystals: In wurtzite phase, asymmetric growths of nancrystals are typically observed along the polar [001] direction. This is particularly observed for seeded growth from 0D seeds. However, while the reaction condition favored the asymmetric growth for 2D seeds, it break the symmetry of the basal plane and allowed the

growth along one of {100} directions. Considering Cu2S disks as seeds, the diffusion induced asymmetric growth leading to 2D tadpole shaped (2d-tadpole) ternary

CuGaS2 nanostructures is reported here. While such tadpole growths from 0D seeds compared to 2D seeds but, the unique growth pattern results intriguing structures in ternary systems. The growth mechanism of these nanostructures were elaborately discussed with tailoring the growth patterns via tuning the interface or introducing dopant. The entire formation process was also compared with standard tadpoles

obtained from 0D Cu2S particles and the parameters for obtaining such anomalous nanoarchetectures were established by detailed investigation of the involved process. The most exciting chemistry tuned here was the exploration of specific reactivity of dual sulfur source which lead to highly monodisperse nanostructures observed self-assembled on microscopic grid. The entire study from the reaction chemistry to structural transformation were correlated and compared in both 2D and 0D seeded asymmetric growths leading along [100] and [001] directions respectively.

Narayan Pradhan Professor Physical Chemistry Associated to Materials Design: The main research focus of the group is understanding the associated physical chemistry in designing different metal, metal oxides and semiconductor nanocrystals. In addition, the group also work on study of electrochemical and photochemical water splitting using metal phosphide nanomaterials. Doping different transition metal ions the change in optical properties are also investigated.

Associates : Figure. (a) and (b) TEM images of 2D tadpoles in different resolutions. (c) Magnified (1) A Dutta, SRF (CSIR); (2) S Bera, SRF TEM image showing vertical as well as horizontal appearance of 2D tadpoles. (d) (CSIR); (3) S Das Adhikary, SRF (CSIR); (4) HRTEM image showing two 2D tadpoles. (e) HRTEM image of a single 2d tadpole. S Kr Dutta, SRF (CSIR); (5) S Kr Mehetor, (f) HRTEM and (g) corresponding selected area FFT pattern respectively, (h) HRTEM SRF (CSIR); (6) Dr G Ranjan Prusty (Young showing the width of a 2d Tadpole. Scientist – DST); (7) Dr P Sahu, (NPDF – DST); (8) Dr M Sankararao (NPDF – DST). ANNUAL REPORT 2016-2017 071

Publications in Journals 8. Oriented attachments and formation of ring-on-disk

1. Symmetry break and seeded 2D anisotropic growth in ternary heterostructure Au-Cu3P photocatalyst - A Dutta, S K Dutta, CuGaS2 nanocrystals – S Das Adhikari, A Dutta, G Prusty, S K Mehetor, I Mondal, U Pal and N Pradhan, Chemistry of P Saha and N Pradhan, Chemistry of Mterials 29 (12), 5384 Materials, 28, 1872 (2016).[IF:9.4] (2017).[IF:9.4] Award/Recognition 2. Doping Mn(II) in lead halide perovskite nanocrystals : Successes • Editorial Advisory Board : Chemistry of Materials, ACS and challenges - A K Guria, S Dutta, S Das Adhikari and N • Oxford Young Nanoscientist Award 2017, Oxford Instrument Pradhan, ACS Energy Letters, 2 (5) 1014 (Cover Art) (2017) • CRSI Bronze Medal, CRSI 3. Luminescence, plasmonic and magnetic properties of doped semiconductor nanocrystals: current developments and future Ph.D. Degree Awarded : prospects - N Pradhan, S Das Adhikari, A Nag and D D Sarma, (1) Biplab Kr. Patra (JU); (2) Amit Kr. Guria (JU) Angew. Chem., Int. Ed., 56, 7038 (2017).[IF:11] Sponsored Project 4. Chemically filled and Au-coupled BiSbS3 nanorod • Modulated Semiconductor ….. Photoelectrocatalysis (DST- heterostructures for photoelectrocatalysis - B K Patra, S Khilari, SERB) A Bera, Sl K Mehetor, D Pradhan and N Pradhan, Chemistry of Materials, 29, 1116 (2017).[IF:9.4] • Architecting visible-NIR ….. steel waste water (DST) 5. Development of metal phosphides as efficient OER precatalysts – A Dutta and N Pradhan, J Physics Chem. Lett., 8, 144 (2017). [IF:8.6] 6. Doped or not doped : Ionic impurities for influencing the phase and growth of semiconductor nanocrystals - A K Guria and N Pradhan, Chemistry of Materials, 28, 5224 (2016).[IF:9.4] 7. Hybrid dot-disk Au-CuInS2 nanostructures as active photocathode for efficient evolution of hydrogen from water - B K Patra, S Khilari, D Pradhan and N Pradhan, Chemistry of Materials, 28, 4358 (2016).[IF:9.4] 072 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA ANNUAL REPORT 2016-2017 073

Organic Chemistry Department of Organic Chemistry

Surajit Sinha Head of the Department Department Profile People Faculty 06 Post-doctoral Research Associate 08 Ph.D. Students 47 Non-Academic Staff 06 Extra Mural Funding Projects (ongoing) 14 Research Achievements Research papers in Journals (2016-17) 28 Book-Chapters/Books 00 Ph.D. degree awarded 07 Academic Activities Seminars organized 12 Conference/Symposia/School organized 00 Talks delivered by members of department in conferences/ 07 symposia (National) Talks delivered by members of department in conferences/ 00 symposia (International) ANNUAL REPORT 2016-2017 075

Formal synthesis of furano lignans, magnofargesin and 7´-epimagnofargesin has been accomplished through Titanocene(III) mediated radical induced addition-elimination route. Diversity oriented synthesis of optically active substituted cyclopentane fused carbocyclic and oxacyclic medium-sized rings has been studied considering the competition between Grubbs-II catalyzed ring closing olefin metathesis (RCM) and ring closing carbonyl-olefin metathesis (RCCOM). Tailoring of spectral response and intramolecular charge transfer in b-enaminones through band gap tuning: synthesis, spectroscopy and quantum chemical studies.

Subhas Chandra Roy Senior Professor Stereocontrolled synthesis of bioactive natural products and related compounds, development of new synthetic methodologies Associates : (1) P Chakraborty, RA (Institute upto 16.12.2016). Collaborator : S Saha.

Publications in Journals 1. Tailoring of spectral response and intramolecular charge transfer in b-enaminones through band gap tuning: synthesis, spectroscopy and quantum chemical studies - R Misra, P Chakraborty, S C Roy, D K Maity and S P Bhattacharyya, RSC Advances, 6, 36811 (2016).[IF:3.289] 2. Titanocene(III) mediated radical induced addition-elimination route to the synthesis of racemic and optically active trisubstituted tetrahydrofurans : Formal synthesis of magnofargesin and 7´-epimagnofargesin - P Chakraborty, S K Mandal and S C Roy, J. Chem. Sc., 128, 1067 (2016).[IF:1.298]. 3. Study towards diversity oriented synthesis of optically active substituted cyclopentane fused carbocyclic and oxacyclic medium-sized rings: Competition between Grubbs-II catalyzed ring closing olefin metathesis and ring closing carbonyl-olefin metathesis - P Chakraborty and S C Roy, J. Chem. Sc., 128, 1831 (2016).[IF:1.298].

Ph.D. Degree Awarded : (1) Shirshendu Mukherjee (JU)

Lectures Delivered : Invited talk at (1) ISM, Dhanbad. 076 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Crystal engineering design of topical gels derived from various non-steroidal-anti- inflammatory-drug (NSAID) has been developed for self-delivery application following noninvasive topical route. Zn-metallohydrogel has been derived using NSAIDs and both anti-inflammatory and anti-bacterial properties have been studied. Single- layered vesicles have been derived from metal-organic polyhedra (MOP) and its drug delivery property has been studied. Drug delivery and cell imaging are also achieved with a NSAID namely naproxen via coordination polymeric route.

Parthasarathi Dastidar Professor Crystal Engineering, Supramolecular Chemistry, Molecular Gels, Molecular Publications in Journals nanotubes, Coordination polymers and microporous materials, Crystal Growth 1. Supramolecular gels by design : Towards the development of topical gels for self- delivery application - R Parveen and P Dastidar, Chem. Eur. J., 22, 9257 (2016). Associates : [IF:5.771] (1) Dr. S Bhattacharya, RA-I (Institute); (2) S Ganguly, SRF (Institute); (3) R Ray, SRF 2. An easy access to organic salt based stimuli responsive supramolecular hydrogels (CSIR); (4) R Parveen, SRF (CSIR); (5) K capable of sensing ammonia - J Majumder and P Dastidar, Chem. Eur. J., 22, Sarkar, SRF (CSIR); (6) P Chakraborty JRF 9267 (2016).[IF:5.771] (Inspire); (7) P Biswas JRF (Institute); (8) 3. Single-Crystal-to-Single-Crystal breathing and guest exchange in CoII metal S Mondal JRF (UGC); (9) A Chowdhury organic frameworks - S Ganguly, S Mukherjee and P Dastidar, Crystal Growth & Project Student; (10) S Bommagani Project Design, 16 (9), 5247 (2016).[IF:4.425] Student (NIPER); (11) S Khasimbi Project Student (NIPER); (12) B Jayamma Project 4. Metallogels from coordination complexes, organometallic and coordination Student (NIPER). polymers – P Dastidar, S Ganguly and K Sarkar, Chem. Asian J., 11, 2484 (2016). [IF:4.592] 5. Multidrug-Containing, salt-based, injectable supramolecular gels for self-delivery, cell imaging and other materials applications - R Roy and P Dastidar, Chem. Eur. J., 22,14929 (2016).[IF:5.771] 6. Multifunctional single-layered vesicles derived from Cu(II)-metal–organic-polyhedra - K Sarkar, M Paul and P Dastidar, Chem. Commun., 52, 13124 (2016).[IF:6.567] 7. Salt metathesis for developing injectable supramolecular metallohydrogelators as a multi-drug-self-delivery system - R Roy, M Bhagyalalitha, P Choudhury and P Dastidar, Chem.Commun., 52, 13811 (2016).[IF:6.567] 8. Nanoscale MnII-Coordination polymers for cell Imaging and heterogeneous catalysis - K Sarkar and P Dastidar Chem., Eur. J., 22, 18963 (2016).[IF:5.771] 9. Rationally developed organic salts of tolfenamic acid and its b-Alanine derivatives for dual purposes as an anti-inflammatory topical gel and anticancer agent - R Parveen, B Sravanthi and P Dastidar, Chem. Asian J., 12,792 (2017).[IF:4.592]

Ph.D. Degree Awarded : (1) Sumi Ganguly (CU); (2) Rajdip Roy (JU)

Sponsored Project • Program support on an interdisciplinary approach towards developing drug delivery systems (DBT). • Developing ….. Biomedical Applications (DST-SERB). ANNUAL REPORT 2016-2017 077

Organic synthesis and Chemical Biology : Synthesis of dithiol-containing artificial amino acid and its incorporation into the peptide backbone has been achieved. Novel molecular transporter has been synthesized which has cell transfection property in the presence of serum. It has been shown to deliver antisense morpholino oligonucleotides in vitro and in vivo zebrafisn model for gene silencing. It has been used for the delivery of antisense RNA for the treatment of Duchenne Muscular Dystrophy. A small molecule called piperazic acid, a hedgehog antagonist which inhibits the signaling pathway.

Surajit Sinha Professor and Head Organic synthesis and chemical biology Publications in Journals Associates : 1. Internal olgoguanidinium-based cellular transporter enhances antisense efficacy of (1) Dr. B Nandi, RA-1 (Institute); (2) H morpholions in in vitro and zebrafish model – J Bhadra, P P Khan, J Kundu and S Khatra, SRF (CSIR); (3) J Bhadra, SRF Sinha, Bioconjugate Chem., 27, 2254 (2016).[IF:4.513] (Institute) (4) K Ghosh, SRF (CSIR); (5) I Banerjee, SRF (CSIR); (6) J Kundu, SRF 2. Piperazic acid derivatives inhibit gli1 in hedgehog signaling pathway – H Khatra, J (Int.Phd, CSIR); (7) C Bose, JRF (DST Kundu, P P Khan, I Duttagupta, S Pattanayak and S Sinha, Bioorg. Med. Chem. supported); (8) A Kr. Das JRF (CSIR-UGC); Lett., 26, 4423 (2016).[IF:2.42] (9) R Bargakshatriya JRF (CSIR); (10) Dr. P 3. Proteolytic stability of a-hydrazino acid-containing peptides : A qualitative study – I P Khan, RA-1 (DBT). Duttagupta, J Bhadra, S K Das and S Sinha, Tetrahedron Lett., 57, 3858 (2016). [IF:2.379].

Patent Filed : • “MMTr-protected H-phosphonate monomers and MMTr-deprotection by organic acids are the right combination of morpholino oligonucleotides synthesis” – S Sinha, J Kundu and J Bhadra (Patent Application No. as 201631037420, 2nd November, 2016). • “OLIGO-GUANIDINES composed of heterocyclic rings with hydrophobic/ lipophilic group at the N-terminal based cellular transporter for effective delivery of nonpenetrable cargos in vitro and in vivo” - S Sinha, J Bhadra, S Pattanayak and S Kundu, PCT/IN2016/000150, 10th June 2016.

Sponsored Project • Molybdenum-containing ……… CO2 reduction (Indo-French, CEFIPRA 1). • Synthesis and evaluation of gene ………. tyrosine kinase pathaway (CSIR).

Lectures Delivered : Invited talk at (1) International Conference on Molecular Signaling, Anna Unversity, Chennai; (2) RSC – Interface between Chem and Biology, CSIR-IICB, Kolkata; (3) ICOS 21, IIT, Mumbai; (4) IISER-Pune. 078 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Natural product synthesis is the center piece of organic chemistry. Every year novel molecular structures are discovered from the natural sources, usually in minute quantities. Some of them turn out to be highly important for the benefit of our society. In order to learn the physical, chemical and biological properties of these important molecules, they have to be synthesized in enough quantities. In this process, the structure of a novel complex molecule, which is usually based on physical data, is also unambiguously proved by the synthesis. Investigation of the physical, chemical and biological properties of the molecule then allows one to design new analogs of the natural products that might be more valuable. With this view in mind, we envisaged the total synthesis of cananginone C (1), debilisone A (2), baulamycin A (3) , biselyngbyolide B (4) and their different analogues. Canaginone C, debilisone A and biselyngbyolide B are anticancer natural products where as baulamycin A is antibacterial marine natural product. We developed efficient synthetic routes to access these molecules and their different variants. Our synthetic study revised the structure of debilisone A and also revealed that proposed structure of baulamycin A needs to be corrected. The synthesized analogues of cananginone C, debilisone A and biselyngbyolide B were tested against different cancer cell line and interestingly, some of the compounds showed potential activities.

Rajib Kumar Goswami Associate Professor Organic Synthesis (Natural Product Chemistry) Associates : (1) S Das, SRF (CSIR); (2) T Kr Kuilya, SRF (Institute); (3) S Chatterjee, SRF (Institute) (4) S Das, SRF (CSIR); (5) S Guchhait, SRF (CSIR); (6) D Paul, SRF (CSIR); (7) G H Mandal, JRF (CSIR); (8) D Saha, JRF (CSIR); (9) J Mondal, JRF (CSIR).

Publications in Journals 1. Stereoselective total synthesis of bioactive marine natural product biselyngbyolde B – S Das, D Paul and R K Goswami, Org. Lett., 18 (8), 1908 (2016).[IF:6.579] 2. “Total synthesis of cananginone C and structural revision of debilisone A – T K Kuilya and R K Goswami, Org. Bimol. Chem., 14, 8789 (2016).[IF:3.559]. 3. Total synthesis of reported structure of baulamycin A and its congeners – S Guchhait, S Chatterjee, R S Ampapathi and R K Goswami, J. Org. Chem., 82, 2414 (2017). [IF:4.785]

Ph.D. Degree Awarded : (1) Sayantan Das (JU); (2) T K Kuilya (JU)

Sponsored Project • Total Synthesis of Biologically Active Nonanolides Cytospolides and Decytospolides (CSIR). • Stereoselective Total Synthesis….. chiral pool approach (DST-Gren Chemistry) • Stereoselective total synthesis of ……. their biological activities (DST) ANNUAL REPORT 2016-2017 079

The copper(I) catalyzed Huisgen cycloaddition has been used to prepare molecular probes that can selectively interact with DNA quadruplexes. Nucleoside derivatives such as diguanosine derivatives (ChemBioChem 2016, 17, 388) and binapthyla mines (J. Med. Chem. 2016, 59, 7275-7181) have been prepared. These ligands can selectively bind c-MYC G-quadruplex and downregulate c-MYC expression in cancer cells. Synthetic protocols are developed for the synthesis of biologically important compounds. The transition metal-free “direct” alkynylation of isatins using KOtBu is reported to provide the desired products in good to high yields. The method is used for the synthesis of biologically active compounds with anti-HIV drug like activities (Synthesis, 2016, 23, 4260-4268). This protocol proceeds smoothly for both electron-rich as well as electron-deficient alkynes in comparable rate without any specially design ligand or expensive transition metal catalyst. Magnetic nanoparticles and polymer supported imidazolidinone catalysts are also developed for the enantioselective Friedel-Crafts alkylation of indoles with a,b-unsaturated aldehydes to give the desired products (ChemistrySelect, 2016, 1 , 4386-4391). These catalysts can be recovered and recycled for five consecutive runs.

Jyotirmayee Dash Associate Professor Bio-organic Chemistry Associates : (1) S Maiti, SRF (Int PhD); (2) D Dutta, SRF (CSIR); (3) D Panda, SRF (CSIR); (4) M Debnath, SRF, (Inspire); (5) P Saha, SRF (Institute); (6) R Paul, SRF (Inspire); (7) T Mandal, SRF (CSIR); (8) G Chakraborty, Figure 1: Binpthyl amine mediated regulation of gene expression. JRF (CSIR); (9) T Ghosh, SRF (CSIR); (10) T Bhattacharyya, JRF (CSIR); (11) S Jana JRF Publications in Journals (CSIR); (12) R Chaudhuri, JRF (UGC); (13) S Karmakar, JRF (CSIR); (14) L Burgula, 1. Palladium-Catalyzed pyridine-directed regioselective oxidative C–H acylation RA (DST); (15) T Das, RA (DBT); (16) Y P of carbazoles by using aldehydes as the acyl source - S Maiti, L Burgula, G Kumar, RA (Institute); (17) S Bhattacharjee, Chakraborti and J Dash, Eur. J. Org. Chem., 2, 332 (2017).[IF:3.1] RA (DST). 2. Chiral carbon dots derived from guanosine 5’-monophosphate form supramolecular hydrogels - A Ghosh, B Parasar, T Bhattacharyya and J Dash, Chem. Commun., 52, 11159 (2016).[IF:6.57] 3. Synthesis of magnetic nanoparticles and polymer supported imidazolidinone catalysts for enantioselective Friedel-Crafts alkylation of indoles - S Pagoti, T Ghosh and J Dash, Chemistry Select, 1 , 4386 (2016).[IF:4.724] 4. Synthesis of fluorescent binaphthyl amines that bind c-MYC G-quadruplex DNA and repress c-MYC expression - A Chauhan, R Paul, M Debnath, I Bessi, S Mandal, H Schwalbe and J Dash, J. Med. Chem., 59, 7275 (2016).[IF:5.59] 5. Transition metal-free terminal alkyne addition to isatins - K Dhara, A Kapat, T Ghosh, J Dash, Synthesis, 23, 4260 (2016).[IF:2.6]

Award/Recognition : (1) Swarna Jayanti Fellowship (DST)

Sponsored Project • Targetting four standarded ….. prolinamide derivativs • Inhibition of Cancer Cell Proliferation by Targeting Human Telomeric G-quadruplex with Nucleoside Derivatives (DBT-Cancer Biology). • Biomimetic ion transport systems based on nucleoside derivatives (DAE-BRNS). • Design ……. Recogniton (DST-SERB) Ph.D. Degree Awarded : (1) Y Pavn Kumar (IISER-Kolkata); (2) A Chauhan (IISER-Kolkata).

Lectures Delivered : Invited talk at (1) Bethune College, Kolkata, (2) ICOS-21, IIT, Mumbai, (3) CIBP-2-17, ISER-Kolkata. 080 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Development of novel and highly efficient methods for selective functionalization

of unactivated C-H bond using molecular oxygen (O2) as a green oxidant are being currently investigated in our group. Along this line, an efficient method for the aerobic radical cascade alkylation/cyclization of a,b-unsaturated amides to afford functionalized oxindoles with C3-quaternary stereocenter has recently been developed. The protocol has been successfully applied to the synthesis of biologically active tetrahydrofuranoindoline and (±)-esermethole alkyl analogues (Figure 1). A Pd-

catalyzed direct C-H hydroxylation of 2-arylpyridines using molecular oxygen (O2) as the sole oxidant has also been accomplished (Figure 2). In addition, we have developed an efficient method for the direct N-acylation of sulfoximines with aldehydes using oxidative N-heterocyclic carbene (NHC) catalysis.

Joyram Guin Assistant Professor Asymmetric catalysis and development of new synthetic methodology Associates : (1) S Santra, SRF (CSIR); (2) S Pal, SRF (CSIR); (3) P Das, SRF (CSIR); (4) A Porey, SRF (CSIR); (5) P Biswas, JRF (CSIR); (6) T Ghosh, SRF (Institute); (7) S Panja, SRF (CSIR); (8) M Bhakad, JRF (CSIR).

Publications in Journals 1. Direct N-Acylation of sulfoximines with aldehydes by N-Heterocyclic carbene catalysis under oxidative conditions – A Porey, S Santra and J Guin, Asian J. Org. Chem., 5, 870 (2016).[IF:3.27] 2. Aerobic radical cascade alkylation/cyclization of a,b-unsaturated amides : an efficient approach to quaternary oxindoles – P Biswas, S Paul and J Guin, Angew. Chem. Int. Ed., 55, 7756 (2016).[IF:11.72] 3. Aerobic direct C(sp2) H hydroxylation of 2 arylpyridins by palladium catalysis induced with aldehyde auto-oxidation – P Das, D Saha, D Saha and J Guin, ACS Catal., 6, 6050 (2016).[IF:9.3]

Sponsored Project • N-Heterocyclic carbine (NHC) catalyzed activation of silylated nucleophile for the construction of C-C and C-heteroatom bonds (DST-SERB). • Aldehyde C-H bond activation for the construction of C-C bond under green reaction protocols (DST, Green Chemistry). Lectures Delivered : Invited talk at (1) OMSA, IIT Kharagpur

Other Departmental Publications in Journals : 1. Fischer carbine mediated covalent grafting of a peptide nucleic acid on gold surfaces and IR optical detection of DNA hybridization with transition metalcarbonyl label – P Srivastava, G Mahsa, N Ray, A Sarkar, K Jana, S Lachmanova, M Hromadova, S Boujday, S Cauteruccio and P Thakare, Applied Surface Science, 385, 47 (2016). [IF:3.38] 2. Ligand and solvent effects in the formation and self-assembly of a metallosupramolecular cage – N N Adarsh, A Chakraborty, M Tarres, S Dey, F Novio, B Chattopadhyay, X Ribas and D Ruiz-Molina, New Journal of Chemistry, 41, 1179 (2017).[IF:2.76] ANNUAL REPORT 2016-2017 081

Physical Chemistry Department of Physical Chemistry

Satrajit Adhikari Head of the Department Department Profile People Faculty 05 Post-doctoral Research Associate 05 Ph.D. Students 27 Non-Academic Staff 03 Extra Mural Funding Projects (ongoing) 03 Research Achievements Research papers in Journals (2016-17) 38 Book-Chapters/Books 01 Ph.D. degree awarded 05 Academic Activities Seminars organized 12 Conference/Symposia/School organized 02 Talks delivered by members of department in conferences/ 10 symposia (National) Talks delivered by members of department in conferences/ 03 symposia (International) ANNUAL REPORT 2016-2017 083

A class of reaction-advection-diffusion systems following activator-inhibitor kinetics has been explored to show (i) how the interaction between differential flow and differential diffusivity of the two species leads to pattern selection during transition of the traveling waves from stripes to rotating spots subsequent to wave splitting (ii) how noisy differential flow leads to instability due to symmetry-breaking of a homogeneous stable steady state. In the context of statistical mechanics, ‘Condensation’ in Fermi-Dirac statistics proposed by Kothari and Nath in 1943, which appears as a natural consequence of Born’s reciprocity principle is examined from a theoretical perspective to show that it is possible to associate an intrinsic notion of symmetry breaking and thermodynamic order parameter to characterize this hitherto unexplored phenomenon as condensation-like coherence within Fermions. With K. Raidastidar the dynamics of atomic and molecular solitary waves in atom-molecular hybrid BEC condensates has been investigated. With J. K. Bhattacharjee the standard time-dependent perturbation theory in quantum mechanics, which is divergent at long times has been re-examined to design a renormalization group aided approach to remove the divergences in resonant situations.

Deb Shankar Ray, FASc, FNA Senior Professor and JC Bose Fellow Nonlinear Dynamics and Statistical Mechanics Associates : (1) S Ghosh, SRF (CSIR); (2) S Paul, JRF (UGC); (3) D Das, National Post-Doctoral Fellow (DST)

Publications in Journals 1. Noisy-flow-induced instability in a reaction-diffusion system - S Paul, S Ghosh and D S Ray, Physical Review E., 94 (6), 062217 (2016).[IF:2.25] 2. Differential-flow-induced transition of traveling wave patterns and wave splitting - S Ghosh, S Paul and D S Ray, Physical Review E, 94 (4), 042223 (2016).[IF:2.25] 3. Time-dependent perturbation theory in quantum mechanics and the renormalization group, J K Bhattacharjee and D S Ray, American Journal of Physics, 84 (6), 434 (2016).[IF:0.73] 4. Dynamics of atomic and molecular solitary waves in atom-molecular hybrid Bose- Einstein condensates coupled by magnetic feshbach resonance : Role of induced decays of Feshbach Molecules - K R Dastidar and D S Ray, Asian Journal of Physics 25, 643 (2016).[IF: ] 5. Born-Kothari condensation in an ideal Fermi gas - A Ghosh and D S Ray, Physical Review A, 95 (2), 022129 (2017).[IF:2.87]

Sponsored Project : • JC Bose Fellowship (DST-SERB) Lectures Delivered : Invited talk at (1) Scottish Church College, Kolkata; (2) IIEST, Shibpur, Kolkata, HRI, Allhabad. 084 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

We have applied single molecule spectroscopy to discover a number of new phenomena: a) sm-FRET is applied to study the structural changes in human G-quadraplexes and amyloid beta peptide. b) Using time resolved confocal microscopy for spectral mapping of 3D tumour spheroids, microtubules, endoplasmic reticulum and cancerous and non cancerous breast cells. c) FCS and MD simulations were used to study effect of alcohol on structure and size of cytochrome c and gold nano cluster capped cytochrome c.

Publications in Journals 1. Single-molecule Spectroscopy : Exploring heterogeneity in chemical and biological systems - S Ghosh and K Bhattacharyya, Chem Rec., 2, 601 (2016). [IF:4.37] 2. Small molecule regulated dynamic structural changes of human G-quadruplexes - M Debnath, S Ghosh, D Panda, I Bessi, H Schwalbe, K Bhattacharyya and J Dash, Chem. Sci., 7, 3279 (2016).[IF:7.52] 3. Spectral mapping of 3D multi-cellular tumor spheroids : Time-resolved confocal microscopy - S Mohapatra, S Nandi, R Chowdhury, G Das, S Ghosh and K Kankan Bhattacharyya, FASc, Bhattacharyya, Phys. Chem. Chem. Phys., 18, 18381 (2016).[IF:3.57] FNASc, FNA, FTWAS 4. Amyloid beta peptides inside a reconstituted cell-like liposomal system: Senior Professor (Superannuation on aggregation, FRET, fluorescence oscillations and solvation dynamics - S Nandi, 30.11.2016) P Mondal, R Chowdhury, A Saha, S Ghosh and K Bhattacharyya, Phys. Chem. Chem. Phys., 18, 30444 (2016).[IF:3.57] Confocal Microscopy and Molecular Dynamics Simulations 5. Fluorescence probing of fluctuating microtubule using a covalent fluorescent probe : Effect of taxol - C Ghosh, D Bhunia, S Ghosh, B Jana, S Ghosh and K Associates : Bhattacharyya, Chemistry Select, 1 (8), 1841 (2016).[IF:5.771] (1) Md. A. Amin*, SRF (CSIR); (2) S Nandi*, SRF (CSIR); (3) C Ghosh*, JRF (CSIR) 6. Cytochrome c-Capped fluorescent gold nanoclusters : Imaging of live cells and delivery of cytochrome c - S Chattoraj, M Amin and K Bhattacharyya, (*under joint supervision of Professor ChemPhysChem 17 (13), 2088 (2016). [IF: 3.41] Kankan Bhattacharyya and Dr. Biman Jana) 7. Biological oscillations : Fluorescence monitoring by confocal microscopy - S Chattoraj and K Bhattacharyya, Chemical Physics Letters, 660, 1 (2016).[IF:2.33] 8. Fluorescence dynamics in the endoplasmic reticulum of a live cell : Time-resolved confocal microscopy - S Ghosh, S Nandi, C Ghosh and K Bhattacharyya, ChemPhysChem., 17 (18), 2818 (2016).[IF: 3.41] 9. Spatial inhomogeneity in spectra and exciton dynamics in porphyrin micro-rods and micro-brushes : Confocal microscopy - S Chattoraj and K Bhattacharyya, Journal of Chemical Sciences, 128 (11), 1717 (2016).[IF:1.17] 10. Effect of alcohol on the structure of cytochrome C : FCS and molecular dynamics simulations - Md A Amin, R Halder, C Ghosh, B Jana and K Bhattacharyya, The Journal of Chemical Physics, 145 (23), 235102 (2016).[IF:3.33] 11. Structural oscillations of non–muscle Myosin II–C2 : Time resolved confocal microscopy - S Chattoraj, S Saha, D Halder, S S Jana and K Bhattacharyya. Chemistry Select, 2 (3), 953 (2017).[IF:5.77] 12. Probing micro-environment of lipid droplets in a live breast cell : MCF7 and MCF10A - C Ghosh, S Nandi and K Bhattacharyya, Chemical Physics Letters, 670, 27 (2017).[IF:2.33] 13. Differential role of nonmuscle myosin II isoforms during blebbing of MCF-7 cells – S K Dey, R. K Singh, S Chattoraj, S Saha, A Das, K Bhattacharyya, K Sengupta, S Sen and S S Jana. Molecular Biology of the Cell, 28 (8), 1034 (2017).[IF:4.94] 14. Enzyme activity of a-chymotrypsin : Deactivation by gold nano-cluster and reactivation by glutathione - C Ghosh, T Mondal and K Bhattacharyya. Journal of Colloid and Interface Science, 494, 74 (2017).[IF:3.07] 15. Size and structure of cytochrome C bound to gold nano-clusters : Effect of Ethanol - C Ghosh, Md A Amin, B Jana and K Bhattacharyya, Journal of Chemical Science (in press).[IF:1.17]

Ph.D. Degree Awarded : (1) Rajdeep Chowdhury (JU); (2) Shyamtanu Chattoraj (JU). ANNUAL REPORT 2016-2017 085

The role of another excited pyrene molecule in the vicinity of an excited pyrene molecule undergoing electron transfer process with a N,N,-dimethylaniline molecule has been explored. It has been shown that the actual first order electron transfer rate is considerably slowed down, in case of polar solvents where the solvent mediated nature of ET is more prominent. Magnetic field effect in perylene/ N,N-dimethylaniline exciplex system has been observed first time. B1/2 value has been measured. To the limit of sensitivity of our detection system no anomalous negative magnetic field effect has been observed for this system in DMSO. Singlet-triplet energy gap for perylene is considerably higher than that in pyrene. This indicates that even in DMSO, energy level of radical ion pair is higher than the triplet perylene energy and negative MFE pathway is not operative. The result confirms that the anomalous effect in pyrene/DMA system is indeed due to the lowering of RIP energy level below triplet pyrene energy level.

Study of ultra low frequency terrestrial electromagnetism : Instrumentation for the study of extremely low frequency natural terrestrial electromagnetism has been developed. FFT analysis of the sensor output shows the primary Schumann resonance peaks at 8.14 Hz and 12.82 Hz. Reported Schumann resonance peaks:: 7.83 Hz, 14 Hz, 20 Hz ( ± 0.5 Hz) on March 20, 2001. The gain of the detection system has maxima around first peak i.e. around 7.83 Hz. Observed peak at 12.82 Hz may indicate rising of Schumann resonance frequency in the Deb Narayan Nath present day. Senior Professor Concept of perception : Magnetic Field effect (MFE) on radical pair system Some preliminary research have been made on the concept of perception (cognition) employing electronic circuits which supports the philosophy of Adaita Vedanta. A Associates : research paper is in the process. (1) A K Jana, RA (Institute); (2) S Mondal, SRF (Institute); (3) Varun N (INSA Summer Research Fellow). Collaborators: (1) Prof. N Guchhait, Dept. of Chemistry, Calcutta University; (2) Dr. B N Mondal, Dept. of Central Scientific Services, IACS.

Lectures Delivered : Invited talk at (1) Int. Conf., Houston, USA. 086 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

The research of our group in the past financial year has been focused on the spectroscopy, photophysics and photochemistry of small molecules and hydrogen bonded molecular complexes of atmospheric as well as biological relevance. We have addressed the physical origin of infrared spectral shifts in hydrogen bonded complexes of phenols and carboxylic acids with water as well as π-acceptor benzene, and studied their implications on the structure at the H-bond interface. Low-frequency vibrations in both ground and excited states of H-bonded clusters of phenol have been characterized by laser induced fluorescence spectroscopy. Interpretation of the DF spectra has revealed implications of H-bond induced vibrational energy relaxation. The role of hydrogen bond in elimination reactions in excited electronic state has also been studied from time-of-flight mass spectrometric analysis upon multi-photon ionization of the H-bonded dimers of fluorophenols. Our other focus has been on gas phase photochemistry of atmospheric relevance. The photo-oxidation and photoisomerization of cyclohexanone has been observed under simulated tropospheric conditions. The reaction mechanisms as well as yield of important products like formic acid have been proposed from experimental data and corroborated by reaction modeling.

Tapas Chakraborty, FASc Senior Professor and Associate Dean Spectroscopy, gas-phase photochemistry, mass spectrometry and kinetics of radical reactions of atmospheric relevance. Associates : (1) P Banerjee, RA-I (Institute); (2) A K Ghosh, RA-I (CSIR); (3) D P Mukhopadhyay, SRF (Institute); (4) A Chattopadhyay, SRF (Institute); (5) P Chatterjee, SRF (Inspire); (6) S Biswas, SRF (UGC); (7) I Bhattacharya, SRF (CSIR); (8) M Samanta, JRF (UGC); (9) K Mondal, JRF (UGC).

Publications in Journals

1. Cooperative effect on phenolic vO-H frequencies in 1:1 hydrogen bonded complexes of o-fluorophenols with water : A matrix-isolation infrared spectroscopy study - P Banerjee, I Bhattacharya and T Chakraborty, Spectrochim. Acta Mol. Biomol. Spectrosc., 181, 116 (2017).[IF:2.09] 2. Photoisomerization of a small cyclic ketone in the vapour phase - A Chattopadhyay, K Mondal, M Samanta and T Chakraborty, Chem. Phys. Lett., 675, 104 (2017).[IF: 1.86] 3. Photooxidation of cyclohexanone in simulated atmosphere : Potential source of atmospheric formic acid - A Chattopadhyay, K Mondal, M Samanta and T Chakraborty, Atmos. Environ., 157, 125 (2017).[IF:3.06] 4. Intermolecular vibrations and vibrational dynamics of a phenol methanol binary complex studied by LIF spectroscopy - D P Mukhopadhyay, S Biswas and T Chakraborty, Chem. Phys. Lett., 674, 71 (2017).[IF:1.86] 5. Hydrogen bond induced HF elimination from photoionized fluorophenol dimers in the gas phase - P Chatterjee, A K Ghosh and T Chakraborty, J .Chem. Phys., 146, 084310 (2017).[IF:2.89] 6. LIF spectroscopy of p-Fluorophenol•••Water complex : Hydrogen bond vibrations, fermi resonance and vibrational relaxation in the excited state - D P Mukhopadhyay, S Biswas and T Chakraborty, J. Phys. Chem. A, 120, 9159 (2016).[IF:2.88]

7. Matrix isolation infrared spectroscopy of an OH•••p hydrogen bonded complex between formic acid and benzene - P Banerjee, I Bhattacharya and T Chakraborty, J. Phys. Chem. A, 120, 3731 (2016).[IF:2.88] ANNUAL REPORT 2016-2017 087

8. Matrix isolation infrared spectra of O-H•••p Hydrogen bonded Ph.D. Degree Awarded : complexes of acetic acid and trifluoroacetic acid with benzene (1) Shreetama Karmakar (CU); (2) Pujarini Banerjee (CU) - P Banerjee, I Bhattacharya and T Chakraborty, J. Chem. Sci., 128, 1549 (2016).[IF:1.29] Lectures Delivered : Invited talk at (1) Pondicherry; (2) University of Lucknow; (3) IIT- Sponsored Project Kanpur. Spectroscopic, structure ….. laser spectroscopy (DST-SERB)

Adhikari and his group have pursued a first principle based theoretical treatment for three or more than three (electronic) state molecular system and derived beyond BO equations both in adiabatic and diabatic representations. This approach paved a way to adapt Molecular Symmetry (MS) in the ab initio calculated non-adiabatic coupling terms before performing the adiabatic to diabatic transformation to construct diabatic Potential Energy Surfaces (PESs). The theory has been implemented to explore its workability and to investigate Jahn-Teller (JT) / Pseudo Jahn-Teller (PJT) as well as Renner-Teller (RT) effects on C2v(M) (NO2) system to reproduce the experimental photoelectron spectrum. Such a complete theory has already been applied in scattering processes: D + H2, D+ + H2, F + H2 etc to calculate reaction cross sections under beyond BO situation and quite good agreement is found with experimentally measured quantities. Adhikari and co-workers formulated from first principle an effective molecule - surface scattering Hamiltonian through a mean field approach to account the effects of surface temperature, where for the first time, the phonon modes quantitatively represent the metal atoms and incorporate the surface temperature through Bose - Einstein probability factor for their initial state distribution. Moreover, Adhikari et al. found the well-known experimental trend with the calculated temperature dependent sticking probability (chemisorption + physisorption) on the metal surface (Cu) as function of initial kinetic energy of the incoming diatom (H2/D2). On the other hand, the effect of electron-hole pair is considered into the effective Hamiltonian through Fermi-Thomas Satrajit Adhikari electron gas model, where the surface temperature is included by using Fermi-Dirac Senior Professor and Head probability factor for the distribution of surface excitons. Theoretical developments on beyond Born - Oppenheimer treatment, A Quantum - classical approach on the methodological development for Dynamics of multi- electronic multi-mode molecular systems, The effect of phonon modes and electron – hole pair on molecule - surface scattering processes, State – to - state reaction dynamics for triatomic systems Molecular Scissoring by optimized laser pulse field Associates : (1) S. Mukherjee, JRF (CSIR); (2) J Datta, JRF (Institute); (3) B. Mukherjee, SRF (CSIR); (4) S Ghosh, SRF (CSIR); (5) S Mandal, SRF (CSIR); (6) S Mukherjee, RA-I (Institute); (7) S Talukdar, RA-I (Institute) The motivation to derive a Quantum-Classical approach from first principle is a contemporary research during the last three decades in chemical physics to pursue the dynamics of multi - mode multi – surface systems with best possible compromise between accuracy and speed to calculate high resolution UV- IR spectrum (photoelectron/MATI/PIRI) as well as scattering cross sections for tri- / tetra- atomic reactive and molecule-surface scattering processes. Adhikari et al. have formulated and demonstrated the numerical implementation of TDDVR methodology on multi-mode multi-surface systems to calculate the high resolution UR-IR spectrum (photoelectron/MATI/PIRI) spectrum of various floppy molecules and depict excellent agreement with experimental and quantum mechanical (MCTDH) ones, where the computational advantage of TDDVR approach over different versions of MCTDH is clearly shown. Adhikari and his group have employed the parallelized TDDVR approach to calculate the sticking probability and inelastic scattering cross sections as a function of initial KE of the incoming diatom. Finally, it is on the way to demonstrate the ability of TDDVR methodology to calculate accurate reactive and non-reactive transition probability/cross sections of triatomic reaction with high 088 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA computational efficiency for non-zero total angular momentum in 2. Beyond Born-Oppenheimer treatment for the construction of the hyperspherical coordinate system. triple-sheeted accurate diabatic hamiltonian matrix of F+H2 system - B Mukherjee, S Mukherjee, K R Shamasudar and S Controlling chemical events in a desired manner has been, and Adhikari, J. Phys.: Conf. Ser. (invited article) 833, 012004 (2017). will always be a much sought after endeavor of any chemist, be it an experimentalist or a theoretician. When light is used to control 3. Selective bond dissociation of HOD molecule by optimally and to follow chemical transformations, a high degree of control designed polychromatic IR+UV pulse : A genetic algorithm can be achieved like dissociating a particular bond selectively in a based study - S Talukder, P Chaudhury and S Adhikari, Molec. polyatomic molecule. An interesting and important problem is how Phys. (invited article, 115, 1786 (2017).[IF:1.81] to selectively cleave a particular bond in a molecule, leaving the 4. Coupled 3D time-dependent quantum Wave-Packet study of rest of the molecule as it is, by using optimally designed laser pulse the O+OH reaction in hyperspherical coordinates on the CHIPR shapes. It is our purpose to investigate selective bond breaking in potential energy surface - S Ghosh, R Sharma, S Adhikari and reduced dimensionality model of HOD and O16O16O18 molecule A J C Varandas, Chem. Phys. Lett. 675, 85(2017).[IF:2.33] through lower quanta vibrational excitation using optimized field attributes. The optimization of the pulse fields has been performed Ph.D. Degree Awarded : by using a stochastic approach called simulated annealing (SA) (1) Saikat Mukherjee (CU) and genetic algorithm (GA), where the profiles of IR and UV pulse field are optimized by maximizing the population of a targeted Lectures Delivered : vibrational state and the flux in a desired mode, respectively. Invited talk at (1) RATC-2016, IISc, Bangalore; (2) XXIIInd Publications in Journals : Intd. Symposium, Tartu, Estonia; (3) University of Hyderabad, Hyderabad; (4) SDMS-2017, Pondicherry. 1. Ab initio non-adiabatic coupling among the three lowest singlet states of H3+ : Construction of mutisheeted diabatic potential Sponsored Project : energy surfaces - B Mukherjee, S Mukherjee and S Adhikari, J. • Algorithmic Implementation ….. Scattering Processes (DST- Phys.: Conf. Ser. (invited article) 759, 012050 (2016). SERB)

“Synthetic Lethality” or “Cancer specific cell killing” is the most exciting challenge in cancer treatment strategy since the invention of recent personalized chemotherapy. In this connection, PARP inhibitors have gained an immense interest in the clinical trial as a single agent for the treatment of breast and ovarian cancer due to mutations in the DNA repair genes like BRCA1 and BRCA2 or in combination with DNA topoisomerase 1 inhibitors. FDA recently approved PARP inhibitors for ovarian cancer. PARP1 are DNA nick sensors and have been proposed to play a critical role in the early detection and repair of Top1cc-induced DNA breaks. PARP1 catalyzes the addition of ADP-ribose polymers (PAR) onto itself and Top1 and PARP inhibitors enhance the cytotoxicity of CPT in the clinical trials. Until the current study, PARP inhibitors were assumed to kill cancer cells by inhibiting the poly(ADP)ribose polymerases (PARP1) activity and thereby inhibiting the repair of Top1-induced DNA lesions. However, the molecular mechanism by which PARylation regulates Top1 nuclear dynamics is not fully understood.

Figure : (ADP)ribose polymers regulate Top1 subnuclear distribution. (A) Images showing nucleolar delocalization of ectopic EGFP-Top1 variants when treated with PARP inhibitor or combination of CPT+ABT-888 in HCT116 cells under live cell confocal microscopy. Nuclei were stained with Hoechst 33342 (Blue). (B) Detection of CPT-induced PARylation of ectopic Top1. EGFP-tagged wild-type (WT) and mutant (Y723F, N722S, W205G) Top1 constructs were ectopically expressed in HCT116 cells. Following treatment with 10 mM CPT for 2 h, EGFP-Top1 was immunoprecipitated using anti- Benu Brata Das GFP antibody and the immune complexes were probed with anti-PAR and anti-PARP1 antibody. Note: PAR signal was Assistant Professor and Wellcome Trust/ observed with a prominent band ~120 kDa, consistent with DST India alliance fellow PARylation of ectopic EGFP-Top1 as indicated. (C) Schematic representation of our findings regarding the Top1 dynamics in Molecular mechanism of DNA damage and live cells and response to combination of PARP inhibitor (ABT- repair in cancer 888) plus CPT as established by fluorescence recovery after photobleaching. Top1 subnuclear dynamics in the absence Associates : of inhibitors (D) Top1 poison (CPT) induces bound Top1cc formation. With increasing population of bound/immobile (1) A Ghosh, SRF (CSIR); (2) S K Das, SRF fraction, fluorescence exchange rate is reduced in FRAP (Institute); (3) I Rehman, SRF (Institute); recoveries. (E) PARP inhibitor (ABT-888) increased Top1 density in the nucleoplasm and enhanced the activity of CPT (4) S Paul Chowdhuri, JRF (UGC); (5) S by trappingTop1cc (immobile fraction) across the genome. (F) Bhattacharjee, (Wellcome Trust/DBT India Model representation of PARP1-Top1 coupling for regulation alliance-JRF). of Top1 catalytic activity. PARylation of Top1 helps in the religation of CPT-induced Top1 cleavage complex. ABT-888 prevents the Top1-PARylation and induces prolong trapping of CPT-induced Top1cc. ANNUAL REPORT 2016-2017 089

Here we describe a new role for PAR polymers on Top1 nuclear Publications in Journals dynamics, which is independent from Top1-PARP1 interaction 1. Poly(ADP-ribose) polymers regulate DNA topoisomerase I (Top1) but dependent on PARP catalytic activity (Das SK., et al., Nucleic nuclear dynamics and camptothecin sensitivity in living cells”, S Acids Research, 2016). We examine the effects of PARP inhibitors K Das, I Rehman, A Ghosh, S Sengupta, P Majumder, B Jana and/or in combination with CPT on EGFP-tagged-human Top1 and B B Das, Nucleic. Acids Res., 44, 8363, Corresponding subnuclear dynamics in living cells. Using a combination of live author (2016).[IF:10.16] cell microscopy and fluorescence recovery after photobleaching (FRAP) experiments, we establish that orally bioactive PARP 2. Induced aggregation of AIE-Active mono-cyclometalated Ir(III) inhibitors (Veliparib, ABT-888) efflux Top1 from the nucleolus to the complex into supramolecular branched wires for light-emitting nucleoplasm (Figure A and B). FRAP data reveals that combination diodes - S Maji, P Alam, G S Kumar, S Biswas, P K Sarkar, B of ABT-888 with CPT markedly increased the bound/immobile Das, I Rehman, B B Das, N R Jana, I R Laskar and S Acharya, fraction of Top1 (Top1cc) across the nuclear genome compared Small. Jan 30. doi: 10.1002/smll.201603780 (2017).[IF:8.31] to CPT alone (Figure C-E), which is associated with increased cytotoxicity in the proliferating cells exposed to the combination of Publications in Books/Book Chapter/Monographs : PARP inhibitor with Top1 inhibitor (Figure F). In an unprecedented 1. Leishmania, the causative agent of Kala Azar : DNA transaction finding, we conclusively demonstrate that Top1N722S is restricted enzymes as possible drug targets. Recent advances in to the nucleolus due to its deficiency in accumulation of CPT- communicable and non-communicable diseases – B B Das, induced Top1-PARylation and Top1cc formation. Eds., The National Academy of Science, India), New Delhii, Capital Publishing Company, es (ISBN 978-93-81891-31-5), p. The present study provides new mechanistic insights into the 227-243 (2016). action of PARP inhibitors in combination with Top1 inhibitors relevant for cancer chemotherapy. Using live cell microscopy in the Sponsored Project presence of ABT-888 (PARP inhibitor), we show delocalization of Top1 from the nucleolus, which results in increased Top1 density • DNA damage control in the nucleus and mitochondria: exploring in the nucleoplasm. PARylation of Top1 counteracts CPT-induced new pathways and novel post-translational regulations stabilization of Top1cc. Therefore ABT-888 markedly increased (Wellcome Trust/DBT). CPT-induced trapping of Top1 across the nuclear genome, which Lectures Delivered : is coupled with increased cytotoxicity in cancer cells (Figure F). Invited talk at (1) Chromosome Stability 2016, Trivandrum, Kerala; (2) ISA visiting professor honorary lecture, University of Bologna, Italy; (3) Department of Pharmacia and Biotechnology, Bologna, Italy.

Research in our group mainly focuses in understanding basic physical principles behind biological processes using theoretical and computational techniques. We are exploring the mechanochemical aspects of molecular motor activities using structure based models of protein inspired by energy landscape theory. Also we are investigating role of active site residues on the ATP hydrolysis in different molecular motors using multi-scale QM/MM simulation. In addition we are also exploring explicit role of water within the active site of an enzyme on the catalysis using QM/MM methodology. Using molecular dynamics in full atomistic details, we are investigating the molecular origin behind unfolding of proteins and polymers in denaturant solution and different binary mixtures. We are also exploring the molecular origin of hydrophobic hydration and its role in cold denaturation of proteins. Using statistical mechanical approaches we are working to decipher the origin of slow and bound interfacial water around protein surface and its role on conformational dynamics of the protein. On a different perspective, we are also investigating the mechanism of ice growth inhibition by antifreeze proteins and proposed a novel hydration mediated ice recognition mechanism.

Biman Jana Assistant Professor Computational and Theoretical Biophysics Research Group Protein foling, function and hydration : Theory Associates : (1) R Halder, SRF (CSIR); (2) M Dutta, SRF (Inspire); (3) S Parui, JRF (CSIR); (4) R N Manna, RA-1; (5) S Chakraborty, RA-1; (6) Md. A. Amin*, SRF (CSIR); (7) S Nandi*, SRF (CSIR); (8) C Ghosh*, JRF (CSIR) (*Co-Supervisor with Prof. Kankan Bhattacharyya) 090 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Publications in Journals 6. Strain mediated adaptation is key for myosin mechanochemistry 1. Size and structure of cytochrome C bound to gold nano- : Discovering general rules for motor activity - B Jana and J N clusters : Effect of ethanol - C Ghosh, Md A Amin, B Jana and Onuchic, PLoS Comput Biol, 12 (8), e1005035, (2016).[IF:5.21] K Bhattacharyya, Journal of Chemical Science (in press) (2017). 7. Poly (ADP-ribose) polymers regulate DNA topoisomerase I [IF:1.17] (Top1) nuclear dynamics and camptothecin sensitivity in living 2. Conformational and hydration properties modulate the ice cells - S K Das, I Rehman, A Ghosh, S Sengupta, P Majumdar, recognition by type I antifreeze protein and its mutants - S B Jana and B B Das, Nucleic Acids Research, gkw665, (2016). Chakraborty and B Jana, Phyiscal Chemistry Chemical Physics, [IF:8.02] 10.1039/C7CP00221A, (2017).[IF:3.57] Lectures Delivered : 3. Effect of alcohol on the structure of cytochrome C: FCS and Invited talk at (1) Discussion Meeting in Chemistry, Goa; (2) molecular dynamics simulations - Md A Amin, R Halder, C University of Hyderabad, Hyderabad Ghosh, B Jana and K Bhattacharyya, The Journal of Chemical Physics, 145 (23), 235102, (2016).[IF:3.33] Sponsored Project 4. Exploring the mechanochemical cycle of dynein motor proteins: • Investivation of molecular ….. proeins (DST-SERB) structural evidence of crucial intermediates - M Dutta and B Other Departmental Publications : Jana, Phys. Chem. Chem. Phys., 18, 33085 (2016).[IF:3.57] 1. Tuning of second-order nonlinear optical response properties 5. Estabilization of hydrophobic core of chicken villin headpiece of aryl-substituted boron-dipyrromethene dyes : Unidirectional in guanidinium chloride induced denaturation : Hint of π-Cation charge transfer couple with structural tailoring – R Mishra, J. interaction - S Parui, R N Manna and B Jana, The Journal of Phy. Chem. C., 121, 5731 (2017).[IF:4.509] Physical Chemistry B, 120 (36), 9599, (2016).[IF:3.69] ANNUAL REPORT 2016-2017 091

Polymer Science Unit Polymer Science Unit

Suhrit Ghosh Head of the Department Department Profile People Faculty 04 Post-doctoral Research Associate 06 Ph.D. Students 31 Non-Academic Staff 03 Extra Mural Funding Projects (ongoing) 09 Research Achievements Research papers in Journals (2016-17) 34 Book-Chapters/Books 01 Ph.D. degree awarded 04 Academic Activities Seminars organized 01 Conference/Symposia/School organized 01 Talks delivered by members of department in conferences/ 16 symposia (National) Talks delivered by members of department in conferences/ 07 symposia (International) ANNUAL REPORT 2016-2017 093

Polymer Synthesis : Poly(vinylidene fluoride)(PVDF)-graft-random copolymers (PD) of diethyleneglycol

methylether methacrylate(MeO2MA) and dimethylaminoethyl methacrylate(DMAEMA) are synthesized by a combined atom transfer radical coupling and atom transfer radical polymerization technique at three different co-monomer compositions. The

molar ratio of MeO2MA to DMAEMA in PD are measured to be 1:5.8, 1:1.3 and 1:0.5 for PD1, PD2 and PD3 graft copolymers. In PD2 the feed ratio and mole ratio are same indicating an azeotropic composition causing highest yield (89%) and highest molecular weight(9.29x105). The grafted chains of PD are temperature and pH responsive and in basic pH they show a sudden increase of size above certain temperature for LCST-type phase transition, however, this is not observed at pH 4 and 7. PD can generate AgNPs under UV irradiation and morphology of PD at 300C varies with pH from vesicle to nanosphere. Polythiophene (PT) graft polyampholyte (PTP) is synthesized using N,N-dimethylaminoethyl methacrylate and tert-butyl methacrylate monomers by grafting from PT backbone. The resulting polymer exhibits aqueous solubility via formation of small sized miceller aggregates with radiating polyionic side chains (cationic or anionic depending on the pH of the medium) at the outer periphery. PTP exhibits reversible fluorescence on and off response in both acidic and basic medium with the sequential addition of differently charged ionic surfactants, repeatedly.

Supramolecular Polymers : We have synthesized a hybrid hydrogel based on folic acid (F) and polyaniline Arun K Nandi, FASc (PANI) (FP), where F acts as a supramolecular cross-linker of PANI chains. The gels Senior Professor are mechanically robust and are characterized by FESEM, TEM, spectroscopic, rheological and universal testing measurements. The hybrid xerogel exhibit BET Polymer Synthesis, Supramolecular surface area 238 m2 g-1, conductivity of 0.04 S/cm, specific capacitance of 295 F/g Polymers, Polymer Nanocomposites and at a current density of 1A/g and photocurrent of ~2mA under white light illumination. Polymer Photovoltaics. Silver nanoparticles (AgNPs) are in-situ grown to elegantly improve the conductivity, energy storage and photoresponse capability of the gels. The formation of AgNPs Associates : drastically improves the specific capacitances up to 646 F/g (at current density 1A/g), (1) A Kuila, RA-1 (Institute); (2) A Shit, SRF excellent rate capability (403 F/g at 20 A/g) and stable cycling performance with a (Inspire); (3) N Maiti, SRF (CSIR); (4) N Maity, retention ratio of 74% after 5000 cycles. The AgNPs embedded gel exhibits dramatic SRF (CSIR); (5) S Mondal, SRF (CSIR); (6) enhancement of photocurrent to 56 mA and its time-dependent photoillumination P Chal, SRF (CSIR); (7) R K Ghosh, SRF corroborates faster rise and decay of current compared to those of FP gel. The (CSIR); (8) S Das, SRF (CSIR); (9) D Mondal, kinetics of E-Z isomerization of an organogel of (E)-N’-(anthracene-10-ylmethylene)- SRF (CSIR); (10) A Panja, JRF, (Inspire); (11) 3,4,5-tris(dodecyloxy) benzohydrazide (I) in methyl cyclohexane is compared for M Pakhira, JRF (CSIR). the sol, gel, xerogel and powder states. The rate constants increase with rise in temperature indicating temperature to act as a promoter for photo-irradiated E-Z isomeization along the imine (C=N) bond. In the powder form the rate constant values are the lowest from those of other states for all temperatures and the xerogels exhibit the highest rate of E-Z isomerization. The rate constants of sol and gel states mostly lie in between the two.

Polymer Nanocomposites : Hierarchical nanostructured polymeric dielectric composites(PGP) based on poly(vinylidene fluoride)(PVDF) are fabricated by incorporating polyaniline-grafted- graphene oxide(G-graft-PANI). The interaction ability and high surface area of G-graft-PANI cause nonpolar a-phase PVDF to polar b-phase transformation to 91% for 5 wt% filler. PGP composites show higher melting and crystallization temperatures. It exhibit spectacular increase of dielectric permittivity, dielectric loss, and dc-conductivity relative to that of neat PVDF films. In order to study the self- assembly of block copolymer grafted from graphene oxide (GO), poly(«-caprolactone) (PCL) - block - poly(dimethyl aminoethyl methacrylate) (PDMAEMA) is grafted from its surface using consecutive ring opening (ROP) and ATRP polymerization. GO- 0 g-(PCL13-b-PDMAEMA117) (GPCLD) at pH 9.2 exhibits cloud point (Tc) at 32 C. At pH 9.2 HRTEM images indicate schizophrenic morphology from vesicle at 260C to annular ring at 300C followed by giant size aggregation at 380C. GPCLD solution exhibits good photoluminescence (PL) property arising from GO at pH 9.2 and PL- intensity increases abruptly during phase transition. Both Tc and size of GPCLD

assembly can be reversibly tuned by CO2 and N2 gas purging. Thus at pH 9.2 and 0 at 38 C the GPCLD acts as a good CO2 sensor. Additionally, the GPCLD vesicle can load hydrophobic guest molecules which can be released by triggering with CO2.The phase transition behaviour of GPCLD solution with varying temperature and pH is monitored from fluorescence spectroscopy and dynamic light scattering. Fluorescence spectra at pH 4 and pH 9.2 give the evidence of localized p and n – type doping of graphene assisted by the pendant PDMAEMA chains. The I- V property of GPCLD at different pH is very unique, at pH 9.2 an interesting feature of negative differential resistance (NDR), at pH 7 rectification property and at pH 4 again the NDR property is observed. The temperature dependent I-V property at pH 7 and 9.2 clearly indicates a signature of doping, de-doping and re-doping due to change of 094 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA interaction of GO with the grafted polymer arising from coiling and 6. Water soluble ionic polythiophenes for biological and analytical de-coiling of polymer chains. applications, (ReviewArticle) - S Das, P Routh, R Ghosh, D P Chatterjee and A K Nandi, Polymer International; 66, 623 (2017).[IF:2.4] 7. Facile synthesis of water soluble, fluorescent DNA-polymer conjugate via enzymatic polymerization for cell imaging - S Nandi, A Kundu, P Das and A K Nandi, J. Nanoscience and Nano Technology, 17, 5168 (2017).[IF:1.3] 8. An insight into the hybrid dye-sensitized solar cell from polyaniline-CdS nanotubes through impedance spectroscopy - A Shit, P Chal and A K Nandi, Phys. Chem. Chem. Phys., 18, 31732 (2016).[IF:4.4] 9. Enhancement of energy storage and photoresponse properties of folic acid/ polyaniline hybrid hydrogel by in-situ growth of Ag-nanoparticles - S Das, P Chakraborty, S Mondal, A Shit and A K Nandi, ACS Appl. Mater. and Interfaces 8, 28055 (2016).[IF:7.1] 10. Hierarchical nanostructured polyaniline functionalized graphene / poly(vinylidene fluoride) composites for improved dielectric The size shape and fluorescence of the performances – N Maity, A Mandal and A K Nandi, Polymer, GO-grafted blockcopolymer can be tuned 103, 83 (2016).[IF:3.6] by pH, temperature and gas flows . 11. Engineering of modular organic photovoltaic devices with dye sensitized architecture - P Chal, A Shit and A K Nandi, J. Polymer photovoltaics : Mater. Chem. A, 4, 16108 (2016).[IF:8.3] Composites of polyaniline (PANI) and cadmium sulfide nanoparticles 12. An insight into the schizophrenic self-assembly of thermo and (CdS NPs) are in-situ synthesized by polymerizing aniline in acetic proton sensitive graphene oxide grafted block copolymer - acid medium for different concentrations of CdS NPs. The dc- N Maity, A Kuila, D P Chatterjee, D Mandal and A K conductivities of the composite increase with increase of CdS -2 Nandi, J. Polym. Sci. Part A, Polym. Chem Ed., 54, 3878 concentration showing a maximum (1.17×10 S/cm) for C200 (2016). [IF:3.1] sample (obtained by polymerizing 182 μL aniline with 200 mg CdS). The I-V plots indicate that the photocurrent is higher from 13. Surfactant triggered fluorescence turn “on/off” behavior of a the dark current and the separation between dark current and polythiophene – graft – polyampholyte - R Ghosh, S Das, D P photo current is maximum in C200. The effectiveness of these Chatterjee and A K Nandi, Langmuir, 32, 8413 composites in DSSCs is studied under an illumination of 100 mW/ (2016).[IF:4.0] 2 cm and the C200 device exhibit maximum open circuit voltage 14. A comparative account on the kinetics of light induced E-Z 2 (0.73 V), short circuit current (8.22 mA/cm ) and power conversion isomerization of an anthracene based organogelator in efficiency (3.96%). An alternative organic photovoltaic platform sol, gel, xerogel and powder states : Fibre to crystal with dye sensitized architecture pertaining excellent modular transformation - S Mondal, P Chakraborty, S Das, P Bairi and characteristic is made. Aniline in situ polymerized in presence of A K Nandi, Langmuir, 32, 5373 (2016).[IF:4.0] (10, 12, 16, 20 mg) of N,N-di((S)-1-carboxylphenylalanine)-3,4:9,10 perylenetetracarboxyldiimide (PPA) in citric acid, results the 15. Water soluble dual responsive star copolymer for encapsulation composites designated as PP10, PP12, PP16 and PP20, of hydrophobic dye molecules - S Das, R Ghosh, D P respectively. Dye-sensitized solar cells fabricated with PP16 and Chatterjee and A K Nandi, Macromol. Symp., 369, N719 dye exhibit highest power conversion efficiency of 4.32 %. 74 (2016).[IF:0.7] IPCE results exhibit a maximum of 62% conversion of incident 16. Mechanically robust hybrid hydrogels for photovoltaic photon absorbing in the range 360–680 nm. Lifetime of photo- applications - S Das, P Chakraborty and A K Nandi, Macromol. injected electron shows that PP16 device has highest lifetime (7.7 Symp., 369, 119 (2016).[IF:0.7] ms). Sponsored Project Publications in Journals : • Grafting of electroactive …………. polymeric materials (DST- 1. Nucleic acid based polymer and nanoparticle conjugates : SERB). Synthesis, properties and applications - A Kundu, S Nandi and • Improving Mechanical …………. Hybrid Supramolecular Gels A K Nandi, Progress in Materials Science, 88, 136 (2017). (CSIR). [IF:31] Ph.D. Degree Awarded : 2. Supercapacitor and photocurrent performance of tunable reduced graphene oxide - D Mandal, P Routh and A K Nandi, (1) Atanu Kuila (JU) Chemistry Select, 2, 3163 (2017).[IF:N/A] Award/Recognition : 3. Deciphering the effect of polymer assisted doping on optoelectronic properties of block copolymer anchored • Prof. J N Mukherjee Memorial Endowment Lecture – 2015, graphene oxide - N Maity, A Kuila and A K Nandi, Langmuir, Indian Chemical Society 33, 1460 (2017).[IF:4.0] Lectures Delivered : 4. Photoinduced E-Z isomerization across the imine bond in Invited talk at (1) University of Jharkhand, Ranchi (CFCS-2017); (2) a multi-responsive organogel affecting morphology and Science College, CU; (3) RAMFN-17, NIT Patna; (4) Macro-2017, structure - S. Mondal and A K Nandi, J. Indian Chem. Soc., Tiruvantapuram; (5) Gitam University, Visakapattanam; (6) ICFM- 94, 123 (2017).[IF:0.15] 2016, IIT-Kharagpur; (7) MJP Rohilkhand University, Bareilly; (8) 5. pH and temperature responsiveness in AgNPs stabilized by a Leibniz Institut fur Polymerforschung, Dresdren, Germany; (9) Indo- new poly(vinylidene fluoride) random graft copolymer - A Kuila, French Symposium at Institut Chales Sadron, Strasbourg, France; N Maity, D P Chatterjee and A K Nandi (10) Rubber Technology Centre, IIT-Kharagpur. J. Polym. Sci. Part A, Polym. Chem Ed., 55, 960 (2017). [IF:3.1] ANNUAL REPORT 2016-2017 095

We are mostly working in the area of polymer chemistry, where a majority of our research is focused on the use of different macromolecular engineering tools such as atom transfer radical polymerization (ATRP), RAFT and ring-opening polymerization (ROP) techniques to synthesize various responsive functional polymers and block copolymers, functional mesoporous polymers, peptide-polymer hybrids, amino acid- based zwitterionic polymers, metal/metal oxide-polymer hybrids, POSS-polymer hybrids for exploiting them in diversified range from advanced materials to catalysts. Our research also includes the study of the solution self-assembly and directed- assembly of biohybrids, block copolymers and zwitterionic polymers into polymer nanostructures of different shapes and sizes with special emphasis on the use of these materials for specific applications. Recently, we are also working on the polymer-engineered pseudopeptidic poly(oxazoline)-based hybrids and their self-assembly into micelles for delivery applications. Hybrid material nanostructures containing polyhedral oligomeric silsesquioxane (POSS) and other polymers are also prepared by another macromolecular engineering tool e.g., thiol-mediated controlled polymerization. Our recent interest includes designing of new ionic liquids and synthesis of new poly(ionic liquid)s (PILs) via macromolecular engineering tool such as RAFT polymerization and their applications in generating materials for sensing, energy storage and catalysis. Furthermore, the main focus of our group’s research is the engineering of poly(ionic liquid)s’ molecular structures that leads to the formation smart materials of interesting stimuli-responsive behaviors. Tarun Kumar Mandal We are also actively working in the synthesis of new amino acid-based zwitterionic Senior Professor polymers via RAFT technique as well as study of their stimuli-responsive properties and antifouling properties. Controlled polymerizations, Stimuli- responsive polymers/copolymers, The preparation of poly(ionic liquid)-engineered single or few-layers nanosheets of Polymer-Peptide biohybrids, Polymer- semiconducting 2D materials and fabrication of their polymer nanocomposites is also inorganic hybrids, Ionic liquids/ the recent focus of our research. Poly(ionic liquid)s, Amino acid-based polymers, Polyzwitterions, 2D materials, Nanocatalysts. Associates : (1) A Saha, SRF (CSIR); (2) M Dule, SRF (CSIR); (3) T Maji, SRF (CSIR); (4) S Jana, SRF (Institute); (5) Y Biswas, SRF (Institute); (6) A Bose, JRF (CSIR); (7) S Khan, JRF (CSIR). Poly(ionic liquid)-Promoted Solventborne Efficient Exfoliation of MoS2/MoSe2 Nanosheets for Dual-Responsive Dispersion and Polymer Nanocomposite J. Phys. Chem. C, 121, 4747 (2017)

Publications in Journals 1. Poly(ionic liquid) - promoted solventborne efficient exfoliation of MoS2/MoSe2 Nanosheets for dual-responsive dispersion and polymer nanocomposite - Y Biswas, M Dule and T K Mandal, J. Phys. Chem. C, 121, 4747 (2017).[IF:4.5] 2. Cysteine-Based amphiphilic peptide-polymer conjugates via thiol-mediated radical polymerization : Synthesis, self-assembly, RNA polyplexation and N-terminus fluorescent labeling for cell imaging - M Dule, M Biswas, Y Biswas, K Mandal, N R Jana and T K Mandal, Polymer, 112, 125 (2017).[IF:3.7] 3. Photocleavable and tunable thermoresponsive amphiphilic random copolymer : Self-assembly into micelles, dye encapsulation and triggered release - S Jana, A Bose, A Saha, and T K Mandal, J. Polym. Sci. A: Polym. Chem., 55, 1714 (2017). [IF:3.1] 4. Amphiphilic polypeptide-polyoxazoline graft copolymer conjugate with tunable thermoresponsiveness : Synthesis and self-assembly into various micellar structures in aqueous and nonaqueous media - A Bose, S Jana, A Saha and T K Mandal, Polymer, 110, 12 (2017).[IF:3.7] 5. Peptide-Poly(tert-butyl methacrylate) conjugate into composite micelles in organic solvents versus peptide-poly(methacrylic acid) conjugate into spherical and worm- like micelles in water : Synthesis and self-assembly - A Saha, S Jana and T K Mandal, J. Polym. Sci. A: Polym. Chem., 54, 3019 (2016).[IF:3.1]

Sponsored Project • Design and Synthesis ….. applications (DST-SERB) Lectures Delivered : Invited talk at (1) Two lectures at Institut Charles Gerhardt Montpellier, France; (2) MACRO - 2017; (3) Indo-French Conf., Strasburg, France. 096 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Research interest of our group includes self-assembly of pi-conjugated chromophores by H-bonding and other non-covalent interaction to modulate their mesoscopic structure and photophysical properties. In the recent past we have been engaged in understanding pathway complexity of supramolecular polymerization and role of structure of the monomer and other parameters including solvent geometry on the self-assembly pathway. In the other area we work on development of synthetic methodology for stimuli responsive polymers, their aqueous self-assembly and biomedical application including drug delivery and antibacterial activity. Recently we have introduced supramolecularly engineered amphiphilic polymers those show molecular interaction driven self-assembly by overruling the packing parameters.

Suhrit Ghosh Professor and Head Self-assembly of donor-acceptor Schematic showing directional molecular assembly driven distinct self-assembly p-systems and stimuli responsive where directional molecular interaction overrules classical packing parameters amphiphillic polymers. and enacts new rules in self-assembly of supramolecular engineered amphiphilic Associates : polymer assembly [Ref: Angew. Chem. Int. Ed, 56, 3516 (2017)] (1) T Mandal, SRF (CSIR); (2) H Kar, SRF (CSIR); (3) P Pramanik, JRF (Institute); Publications in Journals (4) A Sikder, JRF (CSIR); (5) D S Pal, JRF 1. Supramolecularly engineered amphiphilic macromolecules : Molecular interaction (CSIR); (6) S Chakraborty, JRF (CSIR); (7) R overrules packing parameters - P Pramanik, D Ray, V K Aswal and S Ghosh, Bej, JRF (CSIR); (8) P Rajdev, RA-I (Indo- Angew. Chem. Int. Ed., 56, 3516 (2017).[IF:11.7] French); (9) J Sarkar, RA-I (Institute); (10) G Ghosh RA-I (CSIR); (11) A Mukherjee, JRF 2. Steric ploy for alternating donor-acceptor co-assembly and cooperative (CSIR). supramolecular polymerization - S Chakraborty, H Kar, A Sikder and S Ghosh, Chem. Sci., 8, 1040 (2017).[IF:9.1] 3. Remarkable impact of a minor structural variation in the chain-end on the hierarchical self-assembly of a polymeric foldamer - T Mondal and S Ghosh, Polym. Chem., 7, 6735 (2016).[IF:5.5] 4. Photo-triggered supramolecular polymerization - D S Pal, H Kar and S Ghosh, Chem. Eur. J, 22, 16872 (2016).[IF:5.7] 5. J-aggregation of a sulfur-substituted naphthalenediimide (NDI) with remarkably bright fluorescence - H Kar and S Ghosh, Chem. Commun., 52, 8818 (2016).[IF:6.5] 6. pH-Triggered sustained drug delivery from a polymer micelle having b-thiopropionate linkage - P Pramanik, D Halder Banerjee, S S Jana and S Ghosh, Macromol. Rapid. Commun., 37, 1499 (2016) (Appeared as Back Cover).[IF:4.6] 7. Fluorescent PEGulated oligourethane nanoparticle for long term cellular tracing - T Mondal, J Sarkar and S Ghosh Chem. Eur. J, 22, 10930 (2016).[IF:5.7]

Publications in Books/Book Chapter/Monographs : 1. Naphthalene-diimide (NDI) Nanofibre, Gel and Mesoscopic Material “Book Chapter: Naphthalenediimide and its Congeners : From Molecules to Materials - A Das, P Rajdev and S Ghosh, 116-166 (2017). DOI:10.1039/9781782621386-00116

Ph.D. Degree Awarded : (1) Tathagata Mandal (JU)

Award/Recognition • Kaushal Kishore Memorial Award - 2016 • Fellow of the Royal Society of Chemistry ANNUAL REPORT 2016-2017 097

Sponsored Project Lectures Delivered : • Hydrogen-bonding mediated ….. building blocks (Nano- Invited talk at (1) Freie Universitat Berlin, Germany; (2) NIT Sikkim; Mission) (3) Raghunathpur College; (4) Polysolvat-IACS, Kolkata; (5) ICFM- • H-Bonding reinforced …… aqueous medium (CSIR) 2016, IIT-Kharagpur; (6) Asia Academic Meeting, Tokyo, Japan; (7) ICS Strasbourg; (8) MACRO-2017; (9) NSRP-2017, Manipal; (10) • Self Sorting ….. Acceptor assemblies (CEFIPRA) Pi-system Figuration, Nagoya, Japan; (11) Solvay, Vadodara. • Bio-inspired ….. macromolecular assembly (DST) • Semiconducting nanotubes …. Transport studies (DST) • Polymer-Surfactant ….. Charge-Transfer Interaction (MA)

Electro-luminescent polymers : A series of fluorene based chiral and achiral polymers (five) were designed and developed and each polymer had same building block, however, spatial arrangement of the building blocks were different in all polymers. In a very simple way, we were able to tune the spatial arrangement of the polymers chains. Among the polymers, only chiral polymers showed very nice enantioselective recognition behavior through “turn-on” fluorescence enhancement towards (S)- and (R)-phenylglycinol. Recently, we observed solid state emissive properties of copolymer of fluorene.

Nanostructures of polymers for energy storage : We had successfully developed surfactant free, very small Pt-NPs by a simple, clean room temperature, solution dipping method for high performance fuel cell catalyst toward methanol oxidation. Preparation method was taking advantage of a redox reaction between BDP (BDP : benzene tetra-carboxylic acid doped polyaniline) fiber and Pt-based salt to make of BDP@Pt composite. BDP fiber itself acted as a reducing agent as well as template cum stabilizing agent for PT-NPs formation at room temperature. BDP@Pt composites were subsequently employed as an efficient electro-catalyst for methanol oxidation reaction (MOR) in acidic medium. The observed catalytic activity was consequently ~12 times higher than that of commercially available Pt/C catalyst. The Pt-NP loading density on BDP fiber varied with w/w ratio of BDP to Pt-salt. Prepared BDP@Pt composites were showing a good Sudip Malik CO-tolerance properties with Pt-NPs loading density due to presence of BDP as a Associate Professor template helps for methanol oxidation catalytic reaction. Electro-luminescent oligomers or polymers We have also developed rGO/Fe3O4/PANI (rGFP) composite to show potential use for PLED; Nanostructures of polymers for of it as electrode material in the solid state. Prepared thin supercapacitor device energy storage; Electro-chromic polymers produced excellent electrochemical energy storage performance such as high and Supramolecular aggregates. specific capacity, high energy density, high power density and excellent cycling stability (78% retention after 5000th cycle). The double layer capacitance from rGO, Associates : pseudocapacitance from Fe3O4 nanoparticles and PANI nanords jointly assisted to (1) M K Bera, SRF (CSIR); (2) S Mondal, improve high performance all-solid-state hybrid charge storage properties. We also SRF (CSIR); (3) D C Santra, SRF (Institute) demonstrated LED light illumination using our design supercapacitor device based (4) K Bag (Part time), (5) K Samanta, SRF on synthesized rGFP materials. It illuminated up-to 30 min. Developed rGFP materials (Inspire); (6) A Roy, SRF (CSIR); (7) S Basak, have the potential to make significant flexible and portable supercapacitor in the JRF (Institute). energy storage technology.

Figure1: Schematic picture of rGFP, device making and LED lighting. 098 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Electro-chromic polymers : twist angle (like 36°) in the bay tetra-chlorinated perylene core Electro-chromism is defined as material changes its color reversibly hardly showed intentional assembly. Correlations of rheolgical and by an electrochemical reaction. Electro-chromic materials have morphological changes with the mode of assembly in our study received a great deal of interest in the modern society owing to successfully pointed out the fact that in our system co-facial their potential applications in information storage, electrochromic H-type assembly for unsubstituted perylene diimide intended to display, optical switch, smart windows, and antiglare rear-view disfavor long network formation as well as rheological strength of mirrors. To develop electrochromic polymers, two electro-chromic the self-aggregation compare to other small π-aromatic systems films (p-2,6-TPAANT and p-2,6-TPACNANT) were prepared like benzene or naphthalene. through oxidative electropolymerization of the TPA-substituted Publications in Journals anthracene derivatives in Bu4NClO4/DCM. The electro- deposited films exhibited reversible electrochemical oxidation accompanied 1. Reduced graphene oxide/Fe3O4/polyaniline nanostructures as by distinct color changes observed by naked eye. The film electrode materials for all-solid-state hybrid supercapacitor - S thickness was easily tuned by controlling the CV scan number. The Mondal, U Rana and S Malik, J. Phys. Chem. C., 121, 7573 adherent film revealed the low-voltage controlled electro-chromism (2017).[IF:4.509] with significant optical contrast ratio (86 to 87% at 770 nm and 2. Enhanced charge carrier mobility and tailored luminescence 800 nm), fast response time (1.2 s and 1.3 s for the coloration of n-type organic semiconductor through block copolymer step and 0.96 s and 0.92 s for the bleaching step), and high supramolecular assembly - P Kumari, K Khawas, M K Bera, • 2 −1 • 2 −1 coloration efficiency (CE = 222 cm C and 200 cm C ). Those S Hazra, S Malik and B K Kuila, Macromol. Chem. Phys., 218, characteristics suggested that electro-deposited polymers were 1600508 (2017).[IF:2.50] promising materials for the use in optoelectronics applications. Studies on further expanding its spectral response range and 3. Design of triphenylamine appended anthracene derivatives : improving its stability are continuing in our laboratory. Electro-polymerization and their electro-chromic behaviours - D C Santra, S Mondal and S Malik, RSC. Adv., 6, 81597 (2016). [IF:3.84] 4. Easy synthesis approach of Pt-nanoparticles on polyaniline surface : An efficient electro-catalyst for methanol oxidation reaction - S Mondal and S Malik, J. Power Sources 328, 271 (2016).[IF:6.333] 5. Salen-Based enantiomeric polymers for enantioseletive recognition - M K Bera, C Chakraborty and S Malik, New J. Chem., 40, 8074 (2016).[IF:3.277] Figure 2: (a) Schematic illustration for the fabrication pattern of the electrochromic devices; (b) and (c) the photos of the 6. Proton induced aggregation of water soluble isophthalic acid sandwich-type ITO-coated glass electrochromic cell, using appended arylene diimides : Justification with perylene derivative p-2,6-TPAANT and p-2,6-TPACNANT as the active layer. - K Bag, P K Sukul, D C Santra, A Roy and Malik, RSC. Adv., 6, 34027 (2016).[IF:3.84] Supramolecular aggregations : Self-assembly behaviors of five water soluble arylene diimides Ph.D. Degree Awarded : based on benzene, naphthalene and perylene moieties had been (1) Manas Kumar Bera (JU); (2) Sanjoy Mondal (JU) worked out by utilizing the essentiality of two major reversible supramolecular interactions such as hydrophobic π-stacking and Sponsored Project hydrophilic hydrogen bonding. With the modification at π-core, • Graphene Oxide/Polyaniline Nanocomposite and its Application molecules had been designed to improve as well as ensure their as Supercapacitors (CSIR). water solubility under mild basic condition. Experimentally, the chaotic and randomly oriented free molecules were induced to Lectures Delivered : assemble at just below pH-7 upon imposition of suitable external Invited talk at (1) Institut Charles Sadron, Strasbourg, France; acidic stimuli. Photophysically, with change in the nature of the (2) Institut de Science des Matériaux de Mulhouse, Muluhouse, interacting medium from pH-9 to pH-4, molecules having benzene France; (3) University of Ghent, Ghent, Belgium; (4) Service de or naphthalene core showed the predominant edge on J-type Chimie des Matériaux Nouveaux, University of Mons, Mons, aggregation whereas unsubstituted perylene was found to have Belgium; (5) Mahatma Jyotiba Phule Rohilkhand University, Bareilly, dominant rotationally displaced H-type interaction because of its UP; (6) Indian Institute of Technology, Kharagpur, West Bengal; higher π-surface. The self assembly in higher concentration was (7) MACRO 2017 at Thiruvananthapura ; (8) (RAFMN-2017) at manifested as the formation of weak hydrogels. However, large National Institute of Technology, Patna ANNUAL REPORT 2016-2017 099

Raman Centre For Atomic, Molecular And Optical Sciences Raman Centre for Atomic, Molecular And Optical Sciences

Department Profile People Bimalendu Deb Faculty 01 Chairman Post-doctoral Research Associate 01 Ph.D. Students 09 Non-Academic Staff 01 Extra Mural Funding Projects (ongoing) 02 Research Achievements Research papers in Journals (2016-17) 04 Book-Chapters/Books 00 Ph.D. degree awarded 01 Academic Activities Seminars organized 07 Conference/Symposia/School organized 01 Talks delivered by members of department in conferences/ 01 symposia (National) Talks delivered by members of department in conferences/ 00 symposia (International) ANNUAL REPORT 2016-2017 101

Over the past few years our group have been actively investigating Boron Nitrogen based compounds and materials as potential hydrogen storage medium a pre-requisite for a hydrogen based fuel economy. One of the primary challenges to achieve sustainable hydrogen storage in BN compounds is to attain reversibility of dehydrogenation/ hydrogenation process. We have developed a thorough mechanistic understanding of catalytic hydrogen desorption from ammonia-borane and hydrogenated BN fullerenes. However, the stumbling block which has prevented the application of BN compound as hydrogenated material is the hydrogenation of dehydrogenated molecules/material produced after hydrogen release. Our computations have shown that even hydrogenation of B=N bond is a thermodynamically uphill task. Hence, we are investigating how light energy can be used to drive endoergic hydrogenations. Endoergic hydrogenation has been recently achieved on Au(111) surface through generation of hot electrons by plasmon formation triggered by exposure of the metal surface to light. Our theoretical studies predict that such a photolytic reaction can be exploited to ultimately facilitate hydrogenation of B=N double bond. Additionally, a spinoff can achieve sustainable hydrogenation of CO2 to CH3OH. Such findings indicate that reversibility of dehydrogenation/hydrogenation can be achieved in substrates containing BN and thus raises hope for finding a sustainable hydrogen storage strategy. We are also involved in developing simple theoretical markers for electron transfer in aromatic rings. One of our recent theoretical studies illustrate how excited state charge transfer on photoexcitation between aromatic rings can be understood in the context of dramatic changes from aromatic to anti-aromatic/non-aromatic character Ankan Paul in these rings probed through magnetically induced ring current densities. Such Associate Professor variations in aromaticity have helped us to follow the event of an electron catalyzed ring opening reaction. Associates : (1) A Banerjee, SRF (Institute) (2) T Malakar, Apart from the aforementioned problems we are using computational techniques to SRF (Institute); (3) S Bhunya, SRF (CSIR); discover new classes of solar thermal fuels, which store energy in chemical bonds (4) G Ganguly, SRF (CSIR); (5) B. Ghosh, through photoisomerization and releases this energy when gently heated. SRF (Inspire) (6) D Haldar, JRF (CSIR); (7) M. Sultana, JRF (CSIR); (8) D Chakravarti, JRF (CSIR) Jointly with Prof. D Mukherjee; (9) K Hazra, JRF (CSIR); (10) S Mandal, PDF (NPDF)

Figure Caption. Schematic representation of the photo-reaction path. The directions of the induced ring currents are shown as black arrows. A clockwise direction represents an aromatic ring current and an anticlockwise direction represents an antiaromatic ring current. Phys. Chem. Chem. Phys. (2016)

Publications in Journals 1. Deciphering the cryptic role of catalytic electron in a photochemical bond dissociation using aromaticity markers - A Banerjee, D Halder, G Ganguly and A Paul, Phys. Chem. Chem. Phys., 18, 25308 (2016).[IF:4.12] 2. The mechanism of acceptor-less amine double dehydrogenation by N,N,N-Amide Ruthenium(II) hydrides : A combined experimental and computational study Lillian - V A Halel, Tanmay Malakarl, Kuei-Nin T Tseng, Paul M Zimmerman, Ankan Paul* and Nathaniel K. Szymczak*, ACS Catal., 2016, 6, 4799 (2017).[IF:10.61] lcontributed equally. 3. Combining protons and hydrides by homogeneous catalysis for controlling the release of hydrogen from Ammonia−Borane : Present status and challenges - S Bhunya, T Malakar, G Ganguly and A Paul, ACS Catal., 6, 7907 (2016) (Invited Perspective)[IF:10.6] 4. Theoretical study of Au4 thymine, Au20 and Ag20 uracil and thymine complexes for surface enhanced Raman scattering - H De, A Paul and A Datta, Comp. & Theor. Chem., 1111, 1 (2017).[IF:1.4]

Ph.D. Degree Awarded : (1) Ambar Banerjee (CU)

Lectures Delivered : Invited talk at (1) RAMET -2017, Goa. 102 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA ANNUAL REPORT 2016-2017 103

Solid State Physics Department of Solid State Physics

Indra Dasgupta Head of the Department Department Profile People Faculty 08 Post-doctoral Research Associate 01 Ph.D. Students 30 Non-Academic Staff 05 Extra Mural Funding Projects (ongoing) 10 Research Achievements Research papers in Journals (2016-17) 46 Book-Chapters/Books 00 Ph.D. degree awarded 06 Academic Activities Seminars organized 03 Conference/Symposia/School organized 02 Talks delivered by members of department in conferences/ 23 symposia (National) Talks delivered by members of department in conferences/ 08 symposia (International) ANNUAL REPORT 2016-2017 105

Charge carrier dynamics and relaxation in polymer electrolytes : Charge carrier dynamics and relaxation in different polymer electrolytes, such as PVDF-HFP- LiTFSI based polymer electrolyte embedded with ionic liquids (ILs) PMIMTFSI and PMMA- LiClO4 based polymer electrolytes plasticized with different plasticizers, have been investigated at different temperature in the frequency range 0.010 Hz - 3 GHz. Structural investigations of these electrolytes have been performed using XRD, Raman spectroscopy, FTIR, FE-SEM. Thermal properties of these polymer electrolytes have been analyzed using DSC and TGA. The temperature dependent ionic conductivity and relaxation time follow VTF behavior, indicating a strong coupling between the ionic conductivity and segmental motion of polymer chains. Fraction of free anions and ionpair obtained from Raman and FTIR analysis has been correlated with charge carrier dynamics of these electrolytes.

Aswini Ghosh, FASc, FNA Senior Professor and J C Bose Fellow Disordered superionic conductors, oxygen ion conductors, nano-structured materials and polymer electrolytes: Structure, ion Correlation of structure with charge carrier dynamics in glasses : dynamics, conductivity spectra and scaling; Mixed glass former effect in AgI doped silver selenium-molybdate and silver selenium- microscopic structure; crystallization tellurite glasses has been investigated. The dynamics of lithium ions was also studied kinetics in binary and ternary phosphate glasses. The mean square displacement of mobile ions has been determined from the Fourier transform of the conductivity spectra using Associates : linear response theory. The microscopic lengths have been correlated to the relative (1) A Shaw, SRF (up to 30.04.16); (2) T population of different structural units. Electronic conduction in some semiconducting Paul, SRF (Inspire, up to 31.12.16); (3) glasses has been analyzed in the framework of theoretical models proposed by Mott, A Palui, SRF (Institute) (4) S Das SRF, Schnakenberg, etc. (Institute); (5) P Pal, SRF (Inspire); (6) A Chatterjee, JRF (DST-project).

Structure and transport properties of oxide ion conductors : Thin films of

La2Mo2O9 of different thickness have been prepared on Si wafer at various substrate temperatures by pulse laser deposition (PLD). Structure of these films has been determined using X-ray diffraction and transmission electron microscopy. Raman spectroscopy has been used to identify various Raman active modes. The thickness dependence on the ionic conductivity has been analyzed using rule of mixtures model. The ionic conductivity for the films is higher by five order of higher magnitude than that of the bulk. The monoclinic structure and the oxide ion conductivity of Ta

doped La2Mo2O9 have been also studied using XRD, TEM, FTIR etc. Both the grain and grain boundary conductivities follow Arrhenius nature.

Publications in Journals

1. Structural and electrical transport properties of La2Mo2O9 thin films prepared by pulsed laser deposition - T Paul and A Ghosh, J. Appl. Phys., 121, 135106 (2017). [IF:2.101] 2. Ion dynamics in AgI doped silver selenium-tellurite mixed former glasses - A Palui and A Ghosh, J. Appl. Phys., 121, 125104 (2017).[IF:2.101] 106 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

3. Structure and electrical properties of vanadium boro- 9. Ionic conductivity and dielectric permittivity of polymer phosphate glasses - S Das and A Ghosh, J. Non-Cryst. electrolyte plasticized with polyethylene glycol - S Das and A Solids., 458, 28 (2017).[IF:1.825] Ghosh, AIP Conf. Proc., 1731, 110012 (2016). 4. Dynamics and relaxation of charge carriers in 10. Dielectric relaxation in AgI doped silver selenomolybdate poly(methylmethacrylate) – lithium salt based polymer glasses - A Palui, S Shaw and A Ghosh, AIP Conf. Proc., electrolytes plasticized with ethylene carbonate - P Pal and A 1731, 070022 (2016). Ghosh, J. Appl. Phys., 120, 045108 (2016).[IF:2.101] Ph.D. Degree Awarded : 5. Ionic relaxation in PEO/PVDF-HFP - LiClO4 blend polymer (1) Sayan Das (JU) electrolytes: Dependence on salt concentration - S Das and A Ghosh, J. Phys. D: Appl. Phys., 49, 235601 (2016).[IF:2.772] Sponsored Project 6. Dynamics of silver ions in AgI doped Ag2O-SeO2-MoO3 • Dynamics of charge….…. Conducting Glasses (DST-SERB) mixed former glasses, A Palui, A Shaw, A Ghosh, Phys. Chem. • J C Bose Fellowship (DST-SERB) Chem. Phys., 18, 25937 (2016).[IF:4.449] Lectures Delivered : 7. Correlation between structure and oxygen ion dynamics in Y substituted La2Mo2O9 ionic conductors - T Paul and A Invited talk at (1) ICG Congress, 2016, Shanghai, China; Ghosh, AIP Advances., 6, 095015 (2016).[IF:1.444] (2) Global Congress & Expo on Mat. Science & Nanoscience, 2016, UAE; (3) ICMDA, 2016, NIT Patna; (4) ACSSI, 2016, IIT-Patna; 8. Characteristic length scale dependence on conductivity for (5) ICETNST, 2017, NIT Nagaland (6) ICAGST, 2017. La2-xErxMo2O9(0.05 ≤ x ≤ 0.3) oxide ion conductors - T Paul and A Ghosh, AIP Conf. Proc., 1731, 140007 (2016).

Spin-Polarized Electron-Transfers in Organic/Inorganic Hybrid (Rectifying) Junctions : We formed a heterojunction based on a monolayer of nickel phthalocyanine (NiPc) and another layer of cobalt-doped ZnO (Co@ZnO) nanoparticles on an electrode. From tunneling current through a monolayer of the components that in turn yielded density of states (DOS) of the semiconductors, we could locate energy levels of NiPc which was electron-donor in nature and also the band-edges of the n-type nanoparticles. Energies of the components in a heterojunction showed that there would be a preferential transfer of electrons from Co@ZnO to NiPc in junctions formed in either sequences (NiPc|Co@ZnO and Co@ZnO|NiPc). We then proceeded to form heterojunctions with magnetization vector of Co@ZnO and easy magnetization axis of the metalorganic parallel to each other. When such aligned junctions were characterized with spin-polarized scanning tunneling spectroscopy (SP-STS), we Amlan Jyoti Pal, FASc, FNAE, FNA, observed that the configuration acted as a unique diode applicable to spin-polarized FNASc electrons. Senior Professor and J C Bose Fellow Fermi energy measured through scanning tunneling spectroscopy: Organic electronics, Solar cells based on hybrid perovskites, inorganic In heterovalent substitution at anionic and cationic positions of semiconductor thin- semiconductors and quantum dots, films; we report growth and characterization of doped-PbS thin-films deposited by a and conjugated organics, Synthesis successive ionic layer adsorption and reaction (SILAR) method. Altervalent cation and and characterization of nanomaterials aliovalent anion substitution through ions of mono- and trivalent elements as dopants and their application in optoelectronic have been achieved in the compound semiconductor. Effect of such dopants on devices, Characterization of single organic the Fermi energy of PbS has been followed by scanning tunneling spectroscopy molecules and semiconducting quantum (STS) that has correspondence to density of states (DOS) of a semiconductor. By dots by UHV-STM, Scanning Tunneling locating conduction and valence band-edges of the pristine and different doped- Spectroscopy of 2D transition metal semiconductors, the STS studies provided a direct evidence of a shift in Fermi energy dichalogenides and topological insulators, upon heterovalent cationic and anionic substitution in compound semiconductors. spintronics. Publications in Journals Associates : (1) A Bera, SRF (CSIR-NET); (2) U 1. Introducing Cu2O thin-films as a hole-transport layer in efficient planar perovskite Dasgupta, SRF (CSIR-NET); (3) B Kundu, solar cell structures - S Chatterjee and A J Pal, J. Phys. Chem. C., 120, 1428 SRF (Institute); (4) S Chatterjee, SRF (2016).[IF:4.509] (Inspire); (5) H Bhunia, SRF (CSIR-NET); (6) 2. Formation of all-oxide solar cells in atmospheric condition based on Cu2O thin- A Bar JRF (UGC-NET); (7) A Banerjee, JRF films grown through SILAR technique - S Chatterjee, S K Saha and A J Pal, Solar (Inspire); (8) G Paul, (CSIR-NET) Energy Materials & Solar Cells., 147, 17 (2016).[IF:4.630] ANNUAL REPORT 2016-2017 107

3. Heterovalent substitution in anionic and cationic positions of 8. Temperature dependent electron delocalization in CdSe/CdS PbS thin-films grown by SILAR method vis-à-vis Fermi energy type−I core−shell systems: An insight from scanning tunnelling measured through scanning tunneling spectroscopy - H Bhunia, spectroscopy - B Kundu, S Chakrabarti, and A J Pal, J. Appl. B Kundu, S Chatterjee and A J Pal, J. Mater. Chem. C., 4, 551 Phys. 119, 104304 (2016).[IF:2.101] (2016).[IF:5.066] Award/Recognition 4. Spin-Polarized Electron-Transfers in Organic/inorganic Hybrid • J C Bose Fellowship (Rectifying) Junctions - A Bera and A J Pal, J. Phys. Chem. C., 120, 19011 (2016).[IF:4.509] • FNASc 5. High mobility organic field-effect transistors based on defect- Sponsored Project free regioregular poly(3-hexylthiophene-2,5-diyl) - A Nawaz, • J C Bose Fellowship (DST) M S Meruvia, A Kumar, A Kumar, H Bhunia, A J Pal and I A • SERIIUS Project Hümmelgen, Organic Electronics., 38, 89 (2016).[IF:3.471] • Indo-Japan Cooperative Science Programme 6. Graded morphology in bulk-heterojunction solar cells based Ph.D. Degree Awarded : on colloidal semiconductor nanostructures: Directed charge- separation and facile carrier transport - U Dasgupta and A J (1) Abhijit Bera (JU) Pal, J. Appl. Phys., 120, 084503 (2016).[IF:2.101] Lectures Delivered : 7. Energy levels of metal porphyrins upon molecular alignment Invited talk at (1) Politenico di Milano Dipartimento di-Elettronica, during layer-by-layer electrostatic assembly: scanning tunneling Italy; (2) Workshop in honour of Carlo Taliani, Bologna, Italy; (3) spectroscopy vis-à-vis optical spectroscopy - B Kundu, S Jadavpur University, Kolkata; (4) CEMAT-2016, IISc, Bangalore; (5) Chakrabarti, Michio M Matsushita, and A J Pal, RSC Advances, DST-Kolkata; (6) NCNNAM-2016, BIT, Mesra; (7) ICONST-2016, 6, 47410 (2016).[IF:3.289] IISER-Pune

Research in our group in the past year was devoted to the calculation of electronic structure of low dimensional quantum spin systems, strongly correlated systems in the presence of spin-orbit coupling, multiferroic and nano-systems. We have carried out a detailed study of the copper pyrovanadate Cu2V2O7 which crystallizes in at least three different polymorphs a, b, and g. The magnetic properties of these systems are analyzed by calculating various exchange interactions and deriving the relevant spin Hamiltonian. Our detailed analysis based on the derived spin model suggests the crucial role of the crystal structure in governing the electronic and magnetic properties of the three different phases of the system. In particular, our calculations reveal that a subtle difference in the crystal structure has a substantial impact on the magnetic properties of the a phase. Our prediction that the third-nearest-neighbor exchange interaction plays a dominant role in the magnetism of the a phase is validated by the inelastic neutron scattering studies.The important role of spin-orbit coupling (SOC) is also investigated for the three different phases of Cu2V2O7. Although SOC stabilizes magnetic order in all the phases, the absence of inversion symmetry leads to an appreciable Dzyaloshinski-Moriya interaction in the a phase which in turn causes the canting of the spins and adds to the stabilization of the long-range order. Finally, from the symmetry analysis and total energy calculation we have obtained the magnetic ground state for the different phases of Cu2V2O7. While the symmetry- allowed magnetic ground states for the a and b phases are in agreement with the experimental observations, the theoretically predicted magnetic ground state for the g Indra Dasgupta phase is found to be a realization of a dimeric system with the potential to host novel physics. We have also investigated electronic structure and exchange interactions Senior Professor, Head and Associate Dean of the insulating double perovskite La2CuRuO6 which has recently been reported to Electronic structure calculations of novel exhibit intriguing magnetic properties. In addition, we have investigated cationic order magnetic systems, strongly correlated versus La-O covalency in LaA(Ca,Ba)VMoO6 based double perovskites suggested to systems, low-dimensional quantum spin be half-metallic antiferromagnets. systems, magnetic properties of materials at nano scale and disordered systems We have investigated theoretically the impact of the size of the components and alloying in tailoring the band-offsets at the interface of zinc blende based ZnSe- Associates : CdS coupled quantum dots. In addition we have carried out a comparative study (1) A Chakraborty, SRF (resigned on of magnetism and optical properties for 3d transition metal (TM) (Mn)-doped and 13.1.2017); (2) S Bhowal SRF, (CSIR); (3) 4f rare-earth metals (Gd and Nd)-doped ultrathin ZnO nanowires. Our calculations A Paul, SRF (CSIR); (4) A Chakraborty, indicate Nd-doped ZnO nanowires with oxygen vacancies are more favorable for JRF (Institute); (5) S Bandyopadhyay, SRF ferromagnetism. Calculations including spin–orbit coupling for Nd-doped ZnO (Inspire). nanowires reveal not only giant anisotropy where magnetism parallel to the nanowire axis is found to be favorable but also stabilizes ferromagnetism. We have calculated the absorption spectra for Mn-, Gd- and Nd-doped ZnO nanowires and found that the absorption intensity increases upon increasing the concentration of dopant ions. While Mn-doped ZnO nanowire allows absorption of light in the large energy window ranging from visible to ultraviolet, Gd- and Nd-doped systems absorb light primarily in the ultraviolet region. 108 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Caption: Spin models for (a) a, (b) b and (c) g-Cu2V2O7. Blue (dark) and white (light) balls represent the up and down spins (ignoring canting) at the Cu sites corresponding to the magnetic ground state. Cu(1) atoms in the g-phase at the fourth nearest neighbor form dimer as marked in dotted line. The Wannier function plot showing the dominant exchange path for (e) a, (f) b and (g) g-Cu2V2O7. Cu, V and O atoms are indicated in blue, red and green.

Phys. Rev. B., 95, 075110 (2017)

Publications in Journals 6. First principles study of the electronic structure and magnetic 1. A comparative study of electronic, structural, and magnetic properties of spin chain compounds: Ca3ZnMnO6 and properties of a-, b-, and g−Cu2V2O7 - S Bhowal, J Sannigrahi, Ca3ZnCoO6 - J Chakraborty, S Samanta, BRK Nanda and I S Majumdar and I Dasgupta, Phys. Rev. B., 95, 075110 (2017). Dasgupta, J. Physics: Condensed Matter., 28 , 375501 (2016). [IF:3.718] [IF:2.209] 2. Cationic order versus La-O covalency in LaA(Ca,Ba)VMoO6 7. Chemical tailoring of band offsets at the interface of ZnSe–CdS double perovskite - A Bandyopadhyay, S Kumar Neogi, A Paul, heterostructures for delocalized photoexcited charge carriers Carlo Meneghini, I Dasgupta, S Bandyopadhyay and S Ray, - A Dalui, A Chakraborty, U Thupakula, Ali Hossain Khan, S Phys. Rev. B., 95, 024432 (2017).[IF:3.718] Sengupta, B Satpati, D Das Sarma, I Dasgupta and S Acharya, The Journal of Physical Chemistry C., 120, 10118 (2016). 3. Spin wave excitations in the pyrovanadate a−Cu2V2O7 - A [IF:4.509] Banerjee, J Sannigrahi, S Bhowal, I Dasgupta, S Majumdar, H C Walker, A Bhattacharyya and D T Adroja, Phys. Rev. B., 94, Sponsored Project 144426 (2016).[IF:3.718] • Electronic ….. Nanomaterials (Indo-German, DST-DAAD) 4. A comparative study of magnetic and optical properties of Mn-, Lectures Delivered : Gd-, and Nd-doped ZnO Nanowires - A Chakraborty, C S Jong, Invited talk at (1) WCMP-2017, IIT-Kharagpur; (2) Indo-US bilateral N Ganguli and I Dasgupta, International Journal of Modern workshop, Kolkata; (3) 8th IACS-APCTP, Pohang, Korea; (4) IISER- Physics B., 1650241 (2016).[IF: ] Bhopal; (5) SNBNCBS, Kolkata; (6) Science College, Kolkata. 5. Electronic structure and exchange interactions of insulating double perovskite La2CuRuO6 - S K Panda, Y O Kvashnin, B Sanyal, I Dasgupta and O Eriksson, Phys. Rev. B., 94, 064427 (2016).[IF:3.718] ANNUAL REPORT 2016-2017 109

Coupling at the interface of core/shell magnetic nanoparticles is known to be responsible for exchange bias (EB) and the relative sizes of core and shell components are supposed to influence the associated phenomenology. In this work, we have prepared core/shell structured nanoparticles with a total average diameter around Saurav Giri ∼27 nm and a wide range of shell thicknesses through the controlled oxidation of Co nanoparticles well dispersed in an amorphous silica host. Structural characterizations Senior Professor give compelling evidence of the formation of Co3O4 crystallite phase at the shells Magnetic functionalities (exchange surrounding the Co core. Field cooled hysteresis loops display nonmonotonous bias effect, magnetocaloric effect, dependence of the exchange bias HE, that become maximum for a sample with an magnetoresistance/ magnetodielectric intermediate shell thickness, at which lattice strain is also maximum for both phases. response), Multiferroics Results of our atomistic Monte Carlo simulations of particles with the same size and composition as in experiments are in agreement with the experimental observations Associates : and have allowed us to identify a change in the contribution of the interfacial surface (1) S Goswami, (CSIR, Pool Officer); spins to the magnetization reversal, giving rise to the observed maximum in HE and (2) D De (part time); (3) A Indra, (part time); HC. (4) A Pal, JRF (Institute) (5) A Chatterji, JRF (UGC); (6) J K Dey, JRF (Inspire). Publications in Journals 1. Magnetoelectric memory in reentrant frozen state and considerable ferroelectricity in the multiferroic spin-chain compound Sm2BaNiO5 - A Indra, K Dey, S Majumdar, I Sarkar, S Francoual, R P Giri, N Khan, P Mandal, and S Giri, Phys. Rev. B., 95, 094402 (2017).[IF:3.718] 2. Critical behavior and reversible magnetocaloric effect in multiferroic MnCr2O4 - K Dey, A Indra, S Majumdar, and S Giri, J. Magn. Magn. Mater., 435 15 (2017). [IF:2.357] 3. Cryogenic magnetocaloric effect in zircon-type RVO4 (R= Gd, Ho, Er, and Yb) - K Dey, A Indra, S Majumdar and S Giri, J. Materials Chemistry C., 5 1646 2016 (2017).[IF:5.066] 4. Probing core and shell contributions to exchange bias in Co/Co3O4 nanoparticles of controlled size - D De, O Iglesias, S Majumdar and S Giri, Phys. Rev. B., 94, 184410 (2016).[IF:3.718] 5. Large magnetic cooling power involving frustrated antiferromagnetic spin-glass state in R2NiSi3 (R= Gd, Er) - S Pakhira, C Mazumdar, R Ranganathan, S Giri and M Avdeev, Phys. Rev. B., 94, 104414 (2016).[IF:3.718] 6. Magnetoelectric coupling, ferroelectricity, and magnetic memory effect in double perovskite La3Ni2NbO9 - K Dey, A Indra, D De, S Majumdar and S Giri, ACS appl. materials & interfaces., 8, 12901 (2016).[IF:7.145] 7. Observation of weak ferromagnetism and the sizable magnetocaloric effect in Co2V2O7 - J Sannigrahi, S Giri and S Majumdar, J. Phys. Chem. Solids, 101, 1 (2017).[IF: 2.048] 8. Observation of ultrasharp metamagnetic jumps in polycrystalline Er2Cu2O5 -A Banerjee, J Sannigrahi, S Giri and S Majumdar, J. Phys.: Condens. Matter, 29, 115803 (2017).[IF: 2.209] 9. Giant positive magnetoresistance and field-induced metal insulator transition in Cr2NiGa - S Pramanick, P Dutta, S Chatterjee, S Giri and S Majumdar, J. Phys. D: Appl. Phys., 50, 035006 (2016).[IF:2.772] 110 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

10. Polaronic charge transfer and large dielectric constant Sponsored Project in Ca3CoRhO6 – A Banerjee, J Sannigrahi, S Giri and S • Magneto … Refrigeration (DST-SERB) Majumdar, Phys. Status Solidi B 253, 1849 (2016).[IF:1.522] Lectures Delivered : Ph.D. Degree Awarded : Invited talk at (1) University of South Florida, Florida; (2) Radisson (1) Debajyoti De (JU); (2) Arijit Ghosh (JU); (3) Koushik Dey (JU). Resort Orlando, Orlando; (3) Dooars Meeting on synchrotron studies, Dooars.

Organic–inorganic hybrid diodes are very promising for solution processing, low cost, high performance optoelectronic devices. Here, we report a high quality p–n heterojunction diode composed of n-type inorganic Sb2S3 and p-type organic 2,29,7,79-tetrakis-(N,N-di-p-methoxyphenylamine)-9,99-spirobifluorene (spiro- OMeTAD) with a rectification ratio of~ 102 at an applied bias of 1 V. On illumination with visible light (470 nm, 1.82 mW/cm2),

Durga Basak the current value in our device becomes 8 × 102 times that of its dark value even at a Senior Professor zero bias condition. The estimated responsivity value at zero bias is 0.087 A/W which Optical and optoelectronic properties is so far the highest reported for any organic–inorganic hybrid photodiode, to the best of II-VI semiconducting thin films and of our knowledge. It also exhibits a fast photoresponse time of <25 ms (instrumental nanostructures limit). More importantly, our device can also detect visible light with power density as low as 8 μW/cm2 with a photocurrent density of 1.2 μA/cm2 and a photocurrent to Associates : dark current ratio of more than 8. We also demonstrate that the values of responsivity, (1) A Mallick, SRF (Institute); (2) D Sett, SRF short circuit current, and open circuit voltage of the photodetector can be improved (CSIR); (3) S Mondal, SRF (Inspire); (4) S significantly using a thin layer of TiO2 hole-blocking layer. These findings suggest Ghosh, JRF (CSIR); (5) A Das Mahapatra, Sb2S3/spiro-OMeTAD heterojuncton as a promising candidate for efficient self- JRF (Institute); (6) A Das, JRF (CSIR). powered low visible light photodetector.

Publications in Journals 1. Defect controlled tuning of the ratio of ultraviolet to visible light emission in TiO2 thin films - S Mondal and D Basak, J. Lumines., 179, 480 (2016).[IF:2.693] 2. Sb2S3/Spiro-OMeTAD Inorganic–Organic hybrid p–n junction diode for high performance self-powered photodetector - A Bera, A Das Mahapatra, S Mondal and D. Basak, ACS Appl. Mater. Interfaces, 8, 34506 (2016).[IF:7.145] 3. Study on AZO coated flexible glass as TCO substrate - S Ghosh, A Mallick, A Kole, P Chaudhury, S Garner and D Basak, Photovoltaic Specialists Conference (PVSC), IEEE 43rd, 2016,0634 (2016).[IF: ] 4. Highly enhanced H2 gas sensing characteristics of Co:ZnO nanorods and its mechanism - D Sett and D Basak, Sens. Actuator B-Chem., 243, 475 (2017). [IF:4.758] 5. A simple process step for tuning the optical emission and ultraviolet photosensing properties of sol–gel ZnO film - S Ghosh and D Basak, RSC Adv., 7, 694 (2017). [IF:3.289] 6. TiO2 Nanoparticles incorporated peptide appended perylene bisimide-based nanohybrid system : Enhancement of photo-switching behavior – S Roy, K Basu, K Gayen, S Panigrahi, S Mondal, D Basak and A Banerjee, J. Phys. Chem. C., 121, 5428 (2017).[IF:4.509] ANNUAL REPORT 2016-2017 111

7. Comparative investigation on cation-cation (Al-Sn) and Sponsored Project cation-anion (Al-F) co-doping in RF sputtered ZnO thin films: • Development ….. Oxide Film (DST-SERB) Mechanistic insight - A Mallick and D Basak, Applied Surface • SERIIUS Project Science., 410, 540 (2017).[IF:3.150] Lectures Delivered : 8. Uncharacteristic effect on the ultraviolet and visible photoluminescence properties of ZnO: Cl films: A physical Invited talk at (1) NIT-Durgapur; (2) IUMRS ICEM 2016, Singapore; insight - A Mallick and D Basak, J. Lumines., 2017 [IF:2.693] (3) ICFM-2016, IIT-Kharagpur; (4) DAE-SSPS 2016, KIIT University, Bhubaneswar.

Our group is involved in the investigation of magnetic and electric properties of bulk solid materials which include transition metal based alloys as well as oxides. We experimentally probe the materials through magnetization, electrical transport, calorimetry, and dielectric measurements. We are also studying magnetic properties by neutron scattering experiments using the facilities available abroad. Few important research works during 2016-17 can be summarized as follows. We found large positive magnetoresistance in a newly reported Heuselr compound

Cr2NiGa. The compound is found to be paramagnetic down to 2 K. On application of magnetic field higher than 50 kOe, it shows a metal to insulator transition. The observed magnetoresistance follows Kohler’s rule below 20 K indicating the validity of the semiclassical model of electronic transport in metal with a single relaxation time. A multi-band model for electronic transport, originally proposed for semimetals, is found to be appropriate to describe the magneto-transport behavior of the sample. We investigated the magnetic excitations of the multiferroic compound by inelastic neutron scattering using the neutron facility at ISIS, Rutherford Appleton Laboratory, UK. Recently, the compound has been identified to be a magnetic multiferroic by our group with a substantial electric polarization below the magnetic transition

temperature TC = 35 K. We have analyzed the neutron scattering data using linear spin wave theory, which shows good agreement between the experiment and the density functional theory based calculations. The analysis is consistent with the third- Subham Majumdar nearest-neighbor exchange interaction playing a dominant role in the magnetism of the material. Senior Professor Magnetic and electrical properties of solids Associates : (1) S Pramanick, RA-I (Institute); (2) A Banerjee, SRF (Inspire); (3) M Das, JRF (CSIR-NET); (4) S Chatterjee, JRF (UGC- NET); (5) S Karmakar (part time). Collaborators: (1) S Giri (Institute); (2) I Dasgupta (Institute); (3) S Ray (Institute); (4) L Mañosa (Barcelona); (6) D T Adroja (Oxford).

Figures (a) and (b) show the 2D colour plots of the neutron-scattering intensity of a−Cu2V2O7 as obtained from phonon-corrected measured experimental data (at 5 K) and simulated by the SPINW package, respectively. Figures (c) and (d) show the experimental and simulated scattering intensity as a function of energy transfer for the | Q| range 0–3 °A−1 and as a function of momentum transfer summed over 3–6 meV, respectively 112 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Publications in Journals C Walker, A Bhattacharyya and D T Adroja, Phys. Rev. B, 94, 1. Giant multicaloric response of bulk Fe49Rh51 - E Stern-Taulats, 144426 (2016).[IF: 3.718] T Castan, A Planes, L H Lewis, R Barua, S Pramanick, S 8. Critical behavior and reversible magnetocaloric effect in Majumdar and L Manosa, Phys. Rev. B, 95, 104424 (2017). multiferroic MnCr2O4 - K Dey, A Indra, S Majumdar, and S [IF:3.718 ] Giri, J. Magn. Magn. Mater., 435 15 (2017). [IF:2.357] 2. A comparative study of electronic, structural, and magnetic 9. Cryogenic magnetocaloric effect in zircon-type RVO4 (R= Gd,

properties of a-, b-, and g−Cu2V2O7 - S Bhowal, J Sannigrahi, Ho, Er, and Yb) - K Dey, A Indra, S Majumdar and S Giri, J. S Majumdar and I Dasgupta, Phys. Rev. B, 95, 075110 (2017). Materials Chemistry C., 5 1646 2016 (2017).[IF:5.066] [IF:3.718 ] 10. Probing core and shell contributions to exchange bias in Co/ 3. Observation of ultrasharp metamagnetic jumps in Co3O4 nanoparticles of controlled size - D De, O Iglesias, polycrystalline Er2Cu2O5 -A Banerjee, J Sannigrahi, S Giri and S Majumdar and S Giri, Phys. Rev. B., 94, 184410 (2016). S Majumdar, J. Phys.: Condens. Matter, 29, 115803 (2017). [IF:3.718] [IF: 2.209] 11. Magnetoelectric coupling, ferroelectricity, and magnetic 4. Observation of weak ferromagnetism and the sizable memory effect in double perovskite La3Ni2NbO9 - K Dey, A magnetocaloric effect in Co2V2O7 - J Sannigrahi, S Giri and S Indra, D De, S Majumdar and S Giri, ACS Appl. Materials and Majumdar, J. Phys. Chem. Solids, 101, 1 (2017).[IF: 2.048] Interfaces., 8, 12901 (2016).[IF:7.145] 5. Giant positive magnetoresistance and field-induced metal Sponsored Project insulator transition in Cr2NiGa - S Pramanick, P Dutta, S Chatterjee, S Giri and S Majumdar, J. Phys. D: Appl. Phys., • Dynamics of charge….…. Conducting Glassed (DST-SERB) 50, 035006 (2016).[IF:2.772] Ph.D. Degree Awarded : 6. Polaronic charge transfer and large dielectric constant (1) Sabyasachi Pramanick (JU) in Ca3CoRhO6 – A Banerjee, J Sannigrahi, S Giri and S Majumdar, Phys. Status Solidi B 253, 1849 (2016).[IF:1.522] Lectures Delivered :

7. Spin wave excitations in the pyrovanadate a−Cu2V2O7 - A Invited talk at (1) Discussion meeting at Jalpaiguri, North Bengal. Banerjee, J Sannigrahi, S Bhowal, I Dasgupta, S Majumdar, H ANNUAL REPORT 2016-2017 113

Over the last few years, Paul-lab has been working in the area of biophysics and statistical mechanics of disordered systems. Developing mathematical and computational models to understand various sub-cellular and tissue level phenomena have been the primary focus of biophysical research carried out by the group. Recent projects have quantified chromosomal segregation in mitotic cells under various contraints, dynamic positioning of mitotic organizing center, spindle apparatus etc in yeast and mammalian cells. In statistical mechanics, the group has carried out fundamental studies predicting domain coarsening of a binary mixture inside nanopores and equilibrium/nonequilibrium properties of classical systems represented by vector order parameter.

Raja Paul Associate Professor Soft-matter biophysics & statistical mechanics Associates : (1) S Sutradhar, SRF (Institute); (2) S Basu, SRF (Institute); (3) S Chatterjee, SRF (CSIR); (4) S Som, JRF (Inspire); (5) S Chatterjee, JRF, (DBT). Publications in Journals 1. Phase segregation in a binary fluid confined inside a nanopore - S Basu, S Majumder, S Sutradhar, S K Das and R Paul, Europhysics Letters., 116 (5), 56003 (2016).[IF: 2.693] 2. EB1 regulates attachment of Ska1 with microtubules by forming extended structures on the microtubule lattice - G E Thomas, K Bandopadhyay, S Sutradhar, M R Renjith, P Singh, K K Gireesh, S Simon, B Badarudeen, H Gupta, M Banerjee, R Paul, J Mitra and T K Manna, Nature communications., 11665 (2016).[IF:11.329]

Ph.D. Degree Awarded : (1) Sabyasachi Sutradhar (CU)

Sponsored Project • Study off cell-cell ….. viscoelasticity (DBT, with D Sinha) Lectures Delivered : Invited talk at (1) IISER-Thiruvananthapuram, JNCASR-Bangalore; (2) University of Saarbrucken, Germany; (3) SFB-2016, Saarbrucken, Germany; (4) St. Xavier’s College, Kolkata. 114 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA ANNUAL REPORT 2016-2017 115

Spectroscopy Department of Spectroscopy

Ayan Datta Head of the Department Department Profile People Faculty 04 Post-doctoral Research Associate 02 Ph.D. Students 18 Non-Academic Staff 03 Extra Mural Funding Projects (ongoing) 05 Research Achievements Research papers in Journals (2016-17) 30 Book-Chapters/Books 00 Ph.D. degree awarded 01 Academic Activities Seminars organized 03 Conference/Symposia/School organized 00 Talks delivered by members of department in conferences/ 06 symposia (National) Talks delivered by members of department in conferences/ 01 symposia (International) ANNUAL REPORT 2016-2017 117

Decomposition of organophosphorus compounds : The reaction mechanisms to decompose and detoxify Chemical Warfare Agents (CWA)/Organophosphorus Compounds (OPC) in gas phase, in solvent and on solid surface have been investigated thoroughly. Both ab initio, DFT and Transition State Theory (TST) have been used to study the structures, energetics, potential energy surface and reaction kinetics.

Hydrogen storage materials : The hydrogen binding efficiency of multiple metal-ion-(Li+, Mg2+)-decorated small polycyclic Aromatic Hydrocarbons (PAHs) has been investigated using Density Functional Theory (DFT). The nature of interaction between hydrogen molecules and metal ions has been predicted by topological analysis. The charge transfer process from H2 to metal ions has also been analyzed.

Chemical hydrogen storage systems : A mechanistic approach to explore potential energy surface for the production of three molecules of H2 from methylamine-water mixture via interrelated catalytic cycles promoted by Ru-pincer complex has been proposed. Among three hydrogen release processes, the water-assisted process is found to be kinetically most feasible. In third catalytic cycle, the hydrogen abstraction from formamide by pincer leads to produce imino-methanone along with hydrogenated pincer which further releases Abhijit Kumar Das third molecule of H2. Senior Professor Hydrogen release mechanism of chemical hydrogen storage systems Theoretical and Computational Science (CSIR Project) : Associates : The H2 release mechanism of various isomers of the monomeric LiHB, LiN2H3BH3 (1) A Ghosh, JRF (UGC); (2) S Sarkar, has been studied in detail. Dehydrogenation from the dimeric forms of LiHB has JRF (UGC); (3) T Ash, SRF (CSIR); (4) T also been studied in order to show to effect of neighboring molecules on the actual Debnath, SRF (CSIR); (5) T Banu, SRF dehydrogenation process occurring in the solid state. The lithium ion plays central (CSIR); (6) C Sahu, SRF (CSIR, up to July, role in transferring H- in dehydrogenation of both the monomeric and dimeric forms 2016); (7) K Sen, RA. of LiHB.

Agostic interaction :

Agostic interactions have been investigated tuning each part of H2LMMZCHR2 by varying metal centre and intramolecular groups in different positions of the molecule. The impact of the agostic interaction on two well-recognized reaction processes, namely beta-hydride elimination and dehydrogenation for all d0 systems has been studied in detail. Second-order perturbation theory has been used to analyze the charge transfer phenomena and to characterize the acceptor orbitals associated with both metal and legand.

Catalytic conversion of CO : Reaction mechanisms for the conversion of toxic CO into non-toxic organic molecules

catalyzed by (PNP)RuH2CO (1-Ru) complex have been investigated. A low cost base- metal pincer complex, 1-Fe has been designed computationally for the catalytic conversion of CO. The possibility of sequential conversion of two CO molecules into formaldehyde and formic acid via hydrogenation and hydrolysis mediated by pincer complexes has been explored. 118 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Reactivity of endohedral metallofullerens (EMFs) : 4. Dehydrogenation of Lithium Hydrazinidoborane: Insight from A mechanistic investigations have been carried out to compare the Computational Analysis - T Banu, K Sen, T Ash and A K Das, reactivity of different C60 analogues by studying three fundamental Int. J Hydrogen Energy, 41, 18953 (2016).[IF:3.313] reactions, namely hydrogenation, hydrolysis and Diels-Alder 5. Impact of metal-alkoxide functionalized linkers on H2 binding reactions. The effect of encapsulation on the reactions has been affinity: A density functional study - T Banu, A Ghosh and A K discussed in detail. The bond selectivity for the basic reactions has Das, Chem. Phys. Lett., 658, 140 (2016).[IF:1.80] also been shown. 6. Efficient white light generation from ionically self-assembled Publications in Journals triply-fluorescent organic nanoparticles - S Das, T Debnath, A Basu, D Ghosh, A K Das, Gary Baker and A Patra, Chemistry: a 1. Structural and thermodynamical aspects of Lin@Cx endohedral metallofullerens : a DFT approach - T Debnath, J K Saha, T European Journal, 22, 8855 (2016).[IF:5.771] Banu, T Ash and A K Das, Theor. Chem. Acc. 135:167, 1 7. Multiple Li+- and Mg2+-decorated PAHs : Potential systems for (2016).[IF:2.233] reversible hydrogen Storage - A Ghosh, T Debnath, T Ash and 2. Investigation of agostic interaction through NBO analysis and its A K Das, RSC Advances, 7, 9521 (2017).[IF3.289] impact on b hydride elimination and dehydrogenation : A DFT Sponsored Project approach - Tanay Debnath, T Ash, T Banu and A K Das, Theor. Chem. Acc. 135:175, 1 (2016).[IF:2.233] • Computational study ….. storage systems (CSIR) 3. Exploration of unimolecular gas-phase detoxification channels Lectures Delivered : of sarin and soman: A computational study from the perspective Invited talk at (1) ICOPVS - 2016, University of Lucknow, Lucknow, of reaction energetics and kinetics - T Ash, T Debnath, T Banu (2) NCCP - 2017, Assam University, Silchar, Assam. and A K Das, Chem. Res. Toxicol, 29, 1439 (2016).[IF:3.529]

Our group focuses on an unified understanding of phenomena at various length and time scales using techniques based on ab-initio and extended quantum mechanical methods. This group has contributed towards two – dimensional systems like silicene and other graphene analogues and provided a relationship between electronic structure and ground state properties. We study various aspects of both homogeneous and heterogeneouscatalysis and examine the role of metal particles. Quantum mechanical tunneling including carbon tunneling is investigated in various chemical transformations. Modeling of terahertz (THz) spectra of crystal polymorphs is studied through solid – state DFT phonon calculations. Optoelectronic properties of organic molecules for Singlet Fission is actively pursued for extremely high LED efficiency. Dynamical behavior of these systems at finite temperatures are captured using approximate methods like ab-initio MD or classical MD or even reactive MD depending on the time-scale of the chemical or physical phenomenon of interest. Recent interest have been to study solvent phase exfoliation of two-dimensional materials from their bulk van der Waals state of aggregation. One of our long-term interest lies in exploring rare and unusual interactions in chemistry like nc-2e bonds orultrashort H...H non-bonded contacts and even hypervalent species in constained environments. While, these structures have at best, fleeting existence at ambient conditions many new phases of molecules/solids remain yet to be discovered particularly in the emering area of high pressure chemistry. Though computational chemistry is evolving and improving, we do realize that Ayan Datta quantitative numbers are model dependent. Hence, most importantly, to gain a Associate Professor and Head qualitative picture, we are always eager to work very closely with experimentalists to refine, reframe, and even refute predictions. Computational Modelling of Molecules, Materials and Aggregates Associates : (1) N Mandal, JRF (CSIR); (2) T Mukhopadyay, JRF (CSIR); (3) C Chowdhury, SRF (CSIR); (4) K Bhattacharyya, SRF (Institute); (5) R Bhattacharjee, SRF (CSIR); (6) S M Pratik, SRF (CSIR); (7) S Karmakar, SRF (CSIR); (8) B Saha, RA-II (Institute); (9) T Teshome (TWAS-JRF). ANNUAL REPORT 2016-2017 119

Publications in Journals 13. Nonequimolar mixture of organic acids and bases : An 1. Size specific emission in peptide capped gold quantum exception to the rule of thumb for salt or cocrystal - S M Pratik clusters with tunable photoswitching behavior - A Baral, and A Datta, J. Phys. Chem. B, 120, 7606 (2016).[IF:3.18] K Basu, S Ghosh, K Bhattacharyya, S Roy, A Datta and A 14. Multifunctional mixed ligand metal organic frameworks : X-ray Banerjee, Nanoscale, 9, 4419 (2017).[IF:7.760] structure, adsorbtion, luminescene and electrical conductivity 2. Direct and autocatalytic reductive elimination from gold with theoretical correlation - B Bhattacharya, D K Maity, A complexes ([Ph3P)Au(Ar)CF3)(X)], X=F, Cl, Br, I) : The key role Layek, Sk Jahiruddin, A Haldar, S Ghosh, C Chowdhury, A of halide ligands - R Bhattacharjee, A Nijamudheen and A Datta, P P Ray and D Ghoshal, Cryst. Eng. Comm, 18, 5764 Datta, Chemistry – A Eur. J., 23, 4169 (2017).[IF:5.771] (2016).[IF:3.849] 3. Tunneling control : Competition between 6π-Electrocyclization 15. Two-Dimensional group IV monochalcogenides : Anode and [1,5]H-sigmatropic shift reactions in tetrahydro-1H- materials for Li-Ion batteries - S Karmakar, C Chowdhury and cyclobuta[e]indene derivatives - S Karmakar and A Datta, J. A Datta, J. Phys. Chem. C, 120, 14522 (2016).[IF:4.509] Org. Chem., 82, 1558 (2017).[IF:4.785] 16. Capping black phosphorene by h-BN Enhances performances 4. Exploring ultrashort hydrogen–hydrogen nonbonded contacts in anodes for Li and Na ion batteries - C Chowdhury, S in constrained molecular cavities - N Mandal, S M Pratik and A Karmakar and A Datta, ACS Energy Lett., 1, 253 (2016). Datta, J. Phys. Chem. B, 121, 825 (2017).[IF:3.187] 17. Controlling electronic effects and intermolecular packing in 5. Polymorphism controlled singlet fission in TIPS-Anthracene : contorted polyaromatic hydrocarbons (c-PAHs) : Towards Role of stacking orientation - K Bhattacharyya and A Datta, J. high mobility field effect transistors - K Bhattacharyya, T K Phys. Chem. C, 121, 1412 (2017).[IF:4.509] Mukhopadhyay and A Datta, Phys. Chem. Chem. Phys., 18, 14886 (2016).[IF:4.449] 6. Design of van der Waals two-dimensional heterostructures from facially polarized janus All-Cis 18. Dual fluorescence in GFP chromophore analogues : Chemical 1,2,3,4,5,6-Hexafluorocyclohexane (C6H6F6) - S M Pratik, modulation of charge transfer and proton transfer bands - T A Nijamudheen and A Datta, J. Phys. Chem. C, 121, 1752 Chatterjee, M Mandal, A Das, K Bhattacharyya, A Datta and P (2017).[IF:4.509] K Mandal, J. Phys. Chem. B, 120, 3503 (2016).[IF:3.187] 7. Deciphering the role of solvents in the liquid phase exfoliation 19. The story of hexamethylbenzene : Proving that benzene is flat of hexagonal boron nitride : A molecular dynamics simulation and symmetric - A Datta, Resonance, Page 377, April 2016 study - T Kr Mukhopadhyay and A Datta, J. Phys. Chem. C, Issue. (General Chemical Education Article). 121, 811 (2017).[IF:4.509] 20. Pseudo-Jahn−Teller distortion in two-dimensional phosphorus 8. Supported Sub-Nanometer gold cluster catalysed transfer : Origin of black and blue phases of phosphorene and band hydrogenation of aldehydes to alcohols - R Bhattacharjee and gap modulation by molecular charge transfer”, C Chowdhury, A Datta, J. Phys. Chem. C, 120, 24449 (2016).[IF:4.509] S Jahiruddin and A Datta, J. Phys. Chem. Letters, 7, 1288, (2016).[IF:8.539] 9. Metal-Free reduction of CO2 to methoxyborane under ambient conditions through borondiformate formation - S S Sau, R Ph.D. Degree Awarded : Bhattacharjee, P K Vardhanapu, G Vijayakumar, A Datta (1) A Nijamudhen (JU) and S K Mandal, Angew. Chem. Int. Ed., 55, 15147 (2016). [IF:11.709] Sponsored Project 10. Steric and electric field driven distortions in aromatic molecules • Structure, Spectroscopy and Reactivity of Low Dimensional : Spontaneous and non-spontaneous symmetry breaking - Systems (DAE-BRNS). K Bhattacharyya, A Surendran, C Chowdhury and A Datta, • Computational Design …… Fission Applications (DST-SERB) Phys. Chem. Chem. Phys., 18, 31160 (2016).[IF:4.449] Lectures Delivered : 11. Exclusively ligand-mediated catalytic dehydrogenation of Invited talk at (1) Tartu, Estonia; (2) CM3 Conference, Nainital; (3) alcohols - D Sengupta, R Bhattacharjee, R Pramanick, S P Molecules, Materails and Models, Chennai. Rath, N S Chowdhury, A Datta and S Goswami, Inorg. Chem., 55, 9602 (2016).[IF:4.820] 12. Janus all-cis-1,2,3,4,5,6,-Hexafluorocyclohexane : A molecular motif for aggregation-induced enhanced polarization - S M Pratik, A Nijamudheen and A Datta, ChemPhysChem, 17, 2373 (2016).[IF:3.138] 120 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

• The folding mechanism of proteins • Stability of unnatural proteins • Role of lipids in the blood coagulation • Role of weak intermolecular interaction in the aerosol formation

Prashant Chandra Singh Assistant Professor Investigation of soft interfaces by nonlinear spectroscopic technique Associates : (1) S Mandal, SRF (Institute); (2) B Biswas, Publications in Journals JRF (CSIR); (3) S Sarkar, JRF (Inspire); (4) T 1. Role of Hydrogen Bond in the Solvation Behavior of the Binary Mixtures Containing Nandy, JRF (Project) Fluorocarbon Alcohol Molecules and Chloroform: An Experimental and Theoretical Study – B Biswas, S Mondal and P C Singh, Chemistry Select, 1, 5607, 2016. [IF:4.724] 2. Femtosecond Hydrogen Bond Dynamics of Bulk-like and Bound Water at Positively and Negatively Charged Lipid Interfaces Revealed by 2D HD-VSFG Spectroscopy – P C Singh, K-ichi Inoue, S Nihonyanagi, S Yamaguchi and T Tahara, Angewandte Chemie International Edition, 55, 10621 (2016).[IF:11.709] 3. Combined Molecular Dynamics, Atoms in Molecules, and IR Studies of the Bulk Monofluoroethanol and Bulk Ethanol To Understand the Role of Organic Fluorine in the Hydrogen Bond Network – B Biswas, S Mondal and P C Singh, J Phys. Chem. A, 121, 1250 (2016).[IF:2.883]

Sponsored Project • Structural …. Study (CSIR) • Role of lipid....coagulation (DST-SERB) Lectures Delivered : Invited talk at (1) Goa Meting, 2016; (2) Saitama, Japan, 2016. ANNUAL REPORT 2016-2017 121

Theoretical Physics Department of Theoretical Physics

Sourov Roy Head of the Department Department Profile People Faculty 10 Post-doctoral Research Associate 09 Ph.D. Students 10 Non-Academic Staff 05 Extra Mural Funding Projects (ongoing) 02 Research Achievements Research papers in Journals (2016-17) 34 Book-Chapters/Books 01 Ph.D. degree awarded 07 Academic Activities Seminars organized 41 Conference/Symposia/School organized 03 Talks delivered by members of department in conferences/ 26 symposia (National) Talks delivered by members of department in conferences/ 08 symposia (International) ANNUAL REPORT 2016-2017 123

Diphoton signal via Chern-Simons interaction in a warped geometry scenario : The Kalb-Ramond field, identifiable with bulk torsion in a five-dimensional Randall Sundrum (RS) scenario, has Chern-Simons interactions with gauge bosons, from the requirement of gauge anomaly cancellation. Its lowest Kaluza Klein (KK) mode on the visible 3-brane can be identified with a spin-0 CP-odd field, namely, the axion. By virtue of the warped geometry and Chern-Simons couplings, this axion has unsuppressed interactions with gauge bosons in contrast to ultra-suppressed interactions with fermions. The ensuing dynamics can lead to a peak in the diphoton spectrum, which could be observed at the LHC, subject to the prominence of the signal. Moreover, the results can be numerically justified when the warp factor is precisely in the range required for stabilization of the electroweak scale. (with N Chakrabarty, B Mukhopadhyaya, and S SenGupta; published in Phys. Rev.D.)

Kinematics of radion field: a possible source of dark matter : The discrepancy between observed virial and baryonic mass in galaxy clusters have lead to the missing mass problem. To resolve this, a new, non-baryonic matter field, known as dark matter, has been invoked. However, till date no possible constituents of the dark matter components are known. This has led to various models, by modifying Soumitra SenGupta, FNASc gravity at large distances to explain the missing mass problem. The modification to gravity appears very naturally when effective field theory on a lower-dimensional Senior Professor and Dean (Academic & manifold, embedded in a higher-dimensional spacetime is considered. It has been Student Affairs) shown that in a scenario with two lower-dimensional manifolds separated by a finite Extra dimensional Theories, Braneworld, distance is capable to address the missing mass problem, which in turn determines Supergravity, String Theory, Gravity, the kinematics of the brane separation. Consequences for galactic rotation curves Cosmology, Blackholes are also described. Associates : (with S Chakraborty, published in Eur. Phys. J.C.) (1) A Das, RA-I (Resigned on 29.04.2016); (2) T Paul, SRF (Resigned on 11.08.2016); Spherically symmetric brane in a bulk of f(R) and Gauss-Bonnet Gravity : (3) H Mukherjee, JRF; (5) S Chakraborty, Effective gravitational field equations on a four-dimensional brane embedded in a RA-I (Joined on 25.10.2016); (6) B Mondal, five-dimensional bulk have been considered. Using the Einstein–Hilbert action along JRF (UGC) (Joined on 22.12.2016) with the Gauss–Bonnet correction term, we have derived static spherically symmetric vacuum solution to the effective field equations, first order in the Gauss–Bonnet Collaborators: coupling parameter. The solution so obtained, has one part corresponding to general (1) B Mukhopadhyaya (HRI, Allahabad); (2) relativity with an additional correction term, proportional to the Gauss–Bonnet coupling S Sen (Jamia Millia Islamia University, New parameter. The correction term modifies the spacetime structure, in particular, the Delhi); (3) S Kar (IIT-Kharagpur); (4) A A Sen location of the event horizon. Proceeding further, we have derived effective field (Jamia Millia Islamia University, New Delhi); equations for f(R) gravity with Gauss–Bonnet correction term and a static spherically (5) D Choudhury (Delhi University); (6) S symmetric solution has been obtained. In this case the Gauss–Bonnet term modifies Choudhury (T.I.F.R., Mumbai). both the event and cosmological horizon of the spacetime. There exists another way of obtaining the brane metric—expanding the bulk gravitational field equations in the ratio of bulk to brane curvature scale and assuming a separable bulk metric ansatz. It turns out that static, spherically symmetric solutions obtained from this perturbative method can be matched exactly, with the solutions derived earlier. This will hold for Einstein–Hilbert plus Gauss–Bonnet as well as for f(R) with the Gauss–Bonnet correction. Implications of these results are discussed. (with S Chakraborty, published in Class.Quant.Grav.)

Solving higher curvature gravity theories : Solving field equations in the context of higher curvature gravity theories is a formidable task. However, in many situations, e.g., in the context of f(R) theories, the higher curvature gravity action can be written as an Einstein–Hilbert action plus a scalar field action. We show that not only the action but the field equations derived from the action are also equivalent, provided the spacetime is regular. We also demonstrate that such an equivalence continues to hold even when the gravitational field equations are projected on a lower-dimensional hypersurface. We have further addressed explicit examples in which the solutions for Einstein–Hilbert and a scalar field system lead to solutions of the equivalent higher curvature theory. The same, but on the lower-dimensional hypersurface, has been illustrated in the reverse order as well. We conclude with a brief discussion on this technique of solving higher curvature field equations. (with S Chakraborty, published in Eur. Phys. J.C.) 124 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Lightest Kaluza-Klein graviton mode in a back-reacted place from the axion/Kalb–Ramond field energy responsible for Randall-Sundrum scenario : rendering the angular momentum to the black hole. Determining the In search of the extra dimensions in the ongoing LHC experiments, explicit form for the Kalb–Ramond field strength, which is argued to the signatures of the Randall–Sundrum (RS) lightest KK graviton be equivalent to spacetime torsion, we demonstrate that at the end have been in the main focus in recent years. The recent data of the energy extraction process, the spacetime becomes torsion from the dilepton decay channel at the LHC has determined free with a spherically symmetric non-rotating black hole the experimental lower bound on the mass of the RS lightest remnant. In this context, applications to physical phenomena, such Kaluza–Klein (KK) graviton for different choices of the underlying as the emission of neutral particles in astrophysical jets, are also parameters of the theory. In this work we explore the effects of discussed. It is seen that the infalling matter gains energy from the the back-reaction of the bulk scalar field, which is employed to rotation of the black hole, or equivalently from the axion field, and stabilise the RS model, in modifying the couplings of the lightest KK that it is ejected as a highly collimated astrophysical jet. graviton with the standard model matter fields located on the visible (with C Ganguly, published in Eur. Phys. J.C.) brane. In such a modified background geometry we show that the coupling of the lightest KK graviton with the SM matter fields gets a Publications in Journals significant suppression due to the inclusion of the back-reaction of 1. Diphoton signal via Chern-Simons interaction in a warped the bulk stabilising scalar field. This implies that the back-reaction geometry scenario - N Chakrabarty, B Mukhopadhyaya and S parameter weakens the signals from the RS scenario in collider SenGupta - Phys.Rev. D, 95, 015007 (2017).[IF:4.506] experiments, which in turn explains the non-visibility of KK graviton in colliders. Thus we show that the modulus stabilisation plays a 2. Kinematics of radion field : A possible source of dark matter - S crucial role in the search of warped extra dimensions in collider Chakraborty and S SenGupta, Eur.Phys.J.C 76, 12, 648 (2016). experiments. [IF:4.912] (with A Das, published in Eur. Phys. J.C.) 3. Spherically symmetric brane in a bulk of f(R) and Gauss-Bonnet Gravity- S Chakraborty and S SenGupta - Class.Quant.Grav. Graviton Kaluza-Klein modes in nonflat branes with 33, 22, 225001 (2016). [IF: 2.837] stabilized modulus : 4. Solving higher curvature gravity theories - S Chakraborty and S We consider a generalized two brane Randall-Sundrum model SenGupta - Eur.Phys.J.C., 76 , 10, 552 (2016).[IF:4.912] where the branes are endowed with nonzero cosmological constant. In this scenario, we re-examine the modulus stabilization 5. Lightest Kaluza-Klein graviton mode in a back-reacted Randall- mechanism and the nature of Kaluza-Klein (KK) graviton modes. Sundrum scenario - A Das and S SenGupta, Eur. Phys. J.C 76, Our result reveals that while the KK mode graviton masses may 8, 423 (2016). [IF:4.912] change significantly with the brane cosmological constant, the 6. Graviton Kaluza-Klein modes in nonflat branes with stabilized Goldberger-Wise stabilization mechanism, which assumes a modulus- T Paul and S SenGupta - Phys. Rev. D., 93, 8, 085035 negligible backreaction on the background metric, continues to (2016). [IF: 4.506] hold even when the branes have a large cosmological constant. The possibility of having a global minimum for the modulus is also 7. Higher rank antisymmetric tensor fields in Klebanov-Strassler discussed. Our results also include an analysis for the radion mass geometry - A Das and S SenGupta - Phys.Rev. D., 93, 10, in this nonflat brane scenario. 105012 (2016).[IF:4.506] (with T Paul; published in Phys.Rev.D.) 8. Penrose process in a charged axion-dilaton coupled black hole - C Ganguly and S SenGupta - Eur. Phys. J.C., 76, 4, 213(2016). Higher rank antisymmetric tensor fields in Klebanov- [IF:4.912] Strassler geometry : Lectures Delivered : In string theory, higher rank antisymmetric tensor fields appear as massless excitations of closed strings. To date, there is no Invited talk at (1) Dept. of Physics, IIT-Ropar; (2) Dept. of Physics, experimental support in favor of their existence. In a stringy IIT-Kanpur; (3) International Conference on “New Trends in framework, starting from a warped throatlike Klebanov-Strassler Field Theories”, Dept. of Phys, BHU, Varanasi; (4) Schools of geometry, we show that all the massless higher rank antisymmetric Mathematical Sciences and Physical Sciences in Dublin City tensor fields are heavily suppressed due to the background fluxes University, Ireland; (5) Integrated Science Education and Research leading to their invisibility in our Universe. Centre (ISERC), Visva-Bharati, Santiniketan (with A Das; published in Phys. Rev. D.)

Penrose process in a charged axion-dilaton coupled black hole : Using the Newman–Janis method to construct the axion–dilaton coupled charged rotating black holes, we show that the energy extraction from such black holes via the Penrose process takes ANNUAL REPORT 2016-2017 125

How light a higgsino or a wino dark matter can become in a compressed scenario of MSSM : Higgsinos and Wino have strong motivations for being Dark Matter (DM) candidates in supersymmetry, but their annihilation cross sections are quite large. For thermal generation and a single component DM setup the higgsinos or wino may have masses of around 1 or 2-3 TeV respectively. For such DM candidates, a small amount of slepton coannihilation may decrease the effective DM annihilation cross section. This, in turn reduces the lower limit of the relic density satisfied DM mass by more than 50%. Almost a similar degree of reduction of the same limit is also seen for squark coannihilations. However, on the contrary, for near degeneracy of squarks and higgsino DM, near its generic upper limit, the associated coannihilations may decrease the relic density, thus extending the upper limit towards higher DM masses. We also compute the direct and indirect detection signals. Here, because of the quasi- mass degeneracy of the squarks and the LSP, we come across a situation where squark exchange diagrams may contribute significantly or more strongly than the Higgs exchange contributions in the spin-independent direct detection cross section of DM. For the higgsino-DM scenario, we observe that a DM mass of 600 GeV to be consistent with WMAP/PLANCK and LUX data for sfermion coannihilations. The LUX data itself excludes the region of 400 to 600 GeV, by a half order of magnitude of the cross-section, well below the associated uncertainty. The similar combined lower limit for a wino DM is about 1 TeV. There is hardly any collider bound from the LHC Utpal Chattopadhyay for squarks and sleptons in such a compressed scenario where sfermion masses are Professor close to the mass of a higgsino/wino LSP. Elementary Particle Theory: Physics beyond (with M Chakraborti and S Poddar) the standard model, particularly involving physics of low energy supersymmetry. Exploring viable vacua of the Z3-symmetric NMSSM : Phenomenological implications of various We explore the vacua of the Z3-symmetric Next-to-Minimal Supersymmetric supersymmetry breaking mechanisms. Standard Model (NMSSM) and their stability by going beyond the simplistic paradigm Constraining supersymmetric models via that works with a tree-level neutral scalar potential and adheres to some specific flat supersymmetric dark matter analyses directions in the field space. We work in the so-called phenomenological NMSSM (pNMSSM) scenario. Also, for our purpose, we adhere to a reasonably ‘natural’ setup Associates : by requiring |μ | not too large. Key effects are demonstrated by first studying the (1) M Chakraborti, SRF (Resigned on eff profiles of this potential under various circumstances of physical interest via a semi- 27.10.2016); (2) S Ghosal, SRF(Resigned analytical approach. The results thereof are compared to the ones obtained from on 17.11.2016); (3) S Mukherjee, JRF; (4) a dedicated package like Vevacious which further incorporates the thermal effects A Dey, Part time Honorary Research Worker to the potential. Regions of the pNMSSM parameter space that render the desired (Joined on 03.05.2016). symmetry breaking (DSB) vacuum absolutely stable, long- or short-lived (in relation Collaborators: to the age of the Universe) under quantum/thermal tunneling are delineated. Regions (1) A Chakraborty (TIFR, Mumbai); (2) A that result in the appearance of color and charge breaking (CCB) minima are also Choudhury (IISER, Kolkata); (3) A Datta presented. It is demonstrated that light singlet scalars along with a light LSP (lightest (CU, Kolkata); (4) D K Ghosh (IACS); (5) supersymmetric particle) having an appreciable singlino admixture are compatible B Bhattacherjee (Kavli IPMU, Japan); (6) with a viable DSB vacuum. Their implications for collider experiments are commented D Das (IOP, Bhubaneswar); (7) S Poddar upon. (Netajinagar College, Kolkata); (8) A K (With J Beuria, A Datta and A Dey) Datta (HRI, Allahabad); (9) J Beuria (HRI, Allahabad). Probing Non-holomorphic MSSM via precision constraints, dark matter and LHC data : In this analysis we explore the phenomenological constraints of models with non- holomorphic soft SUSY breaking terms in a beyond the MSSM scenario having identical particle content. The model referred as NHSSM shows various promising features like the possibility of a strong reduction in electroweak fine-tuning even for a scenario of a heavy higgsino type of LSP, a fact that is unavailable in pMSSM models. The other important aspect is satisfying the muon g − 2 data even for a small tan b via

a small value of coupling A9μ associated with the tri-linear non-holomorphic soft term. Thus, a large SUSY contribution to muon g − 2 is possible even for a significantly large smuon mass . The Higgs mass radiative corrections are contributed by both the holomorphic and non-holomorphic trilinear soft parameters At and A9t , thus diluting the requirement to have a larger At to satisfy the Higgs mass data. The model also provides with valid parameter space satisfying the constraint of Br(B → Xs + g) for large values of tan b, a scenario unfavourable in pMSSM. (with A Dey; published in JHEP) 126 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Status of the 98–125 GeV Higgs bosons scenario with Publications in Journals updated LHC-8 data : 1. Probing non-holomorphic MSSM via precision constraints, In the context of the minimal supersymmetric standard model dark matter and LHC data - U Chattopadhyay, A Dey - JHEP (MSSM), we discuss the possibility of the lightest Higgs boson with 1610 027 (2016). [IF:6.023] mass M =98 GeV to be consistent with the 2.3s excess observed h 2. Status of the 98–125 GeV Higgs bosons scenario with updated at the LEP in the decay mode e+e-→Zh, with h→b . In the same LHC-8 data – B Bhattacherjee, M Chakraborti, A Chakraborty, region of the MSSM parameter space, the heavier Higgs boson (H) U Chattopadhyay, D K Ghosh, Phys. Rev. D, 93 no.7, 075004 with mass MH~125 GeV is required to be consistent with the latest (2016).[IF:4.506] data on Higgs coupling measurements at the end of the 7+8 TeV LHC run with 25 fb-1 of data. While scanning the MSSM parameter Ph.D. Degree Awarded : space, we impose constraints coming from flavor physics, relic (1) Manimala Chakraborti (JU) density of the cold dark matter as well as direct dark matter searches. We study the possibility of observing this light Higgs Lectures Delivered : boson in vector boson fusion process and associated production Invited talk at (1) International Workshop on “Frontiers in with W/Z-boson at the high luminosity (3000 fb-1) run of the 14 TeV Electroweak Interactions of Leptons and Hadrons”, Dept. of Phys., LHC. Our analysis shows that this scenario can hardly be ruled out Aligarh Muslim University, Aligarh even at the high luminosity run of the LHC. However, the precise measurement of the Higgs signal strength ratios can play a major role to distinguish this scenario from the canonical MSSM one. (with B.Bhattacherjee, M. Chakraborti, A.Chakraborty and D.K.Ghosh; published in Phys.Rev.D.)

Sudhansu Sekhar Mandal (on lien w.e.f. 01.12.2015) Professor Condensed Matter Physics: Fractional Quantum Hall Effect, Superconductivity Associates : (1) S Mukherjee, SRF (CSIR) ANNUAL REPORT 2016-2017 127

We are studying aspects of Radon transform in Quantum field theories.

Lectures Delivered : Invited talk at (1) A set of twelve tutorials in SERC Preparatory School, IIT-Gandhinagar.

Koushik Ray Professor String Theory and Mathematical Physics Associates : (1) S Bhowmick, RA-I

Generation of radiative nnneutrino mass in the linear seesaw framework, charged lepton flavor violation and dark matter :

We investigate a model with local U(1)B−L and discrete Z2 symmetries where two types of weak isospin singlet neutrinos, vector-like charged lepton and exotic scalar fields are introduced. The linear seesaw mechanism is induced at one-loop level through Yukawa interactions associated with the standard model leptons and exotic fields. We also discuss lepton flavor violation and muon anomalous dipole magnetic moment induced by the new Yukawa interaction. In addition, our model has dark

matter candidate which is the lightest Z2 odd neutral particle. We calculate the relic density and constraints from direct detection. (with A Das, T Nomura, H Okada)

Publications in Journals 1. Light top squarks in a U(1)R lepton number model with a right handed neutrino and the LHC - S Chakraborty, A Datta, K Huitu, S Roy and H Waltari, Phys. Rev. D., 93, 075005(2016).[IF:4.506]

Ph.D. Degree Awarded : (1) Sabyasachi Chakraborty (CU)

Sourov Roy Lectures Delivered : Invited talk at (1) Physics and Applied Mathematics Researchers Meet 2017(PAMRM Professor and Head 2017), ISI, Kolkata Physics beyond the Standard Model, in particular, phenomenology of supersymmetric theories. Higgs physics, Collider Physics. Neutrino masses and mixing. Models of warm dark matter and X-ray observations Associates : (1) S Mitra, SRF (Resigned on 31.10.2016); (2) H Banerjee, JRF, (3) P B Byakti, RA-I (Joined on 15.09.2016). 128 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

During the year we have been doing lattice QCD simulations at both zero and finite temperatures, with and without dynamical fermions. On one hand we have been computing glueball correlators with our newly developed error reduction techniques while on the other we have been implementing a new algorithm viz. RHMC for two flavours of staggered quarks to run on GPUs. This is a bias free algorithm and therefore does not require an extrapolation to zero time step for evolution.

Publications in Journals 1. Statistical tweaks and meson masses – S Datta, S Gupta, A Lahiri and P Majumdar, Phys. Rev. D, 94 no.5, 054506 (2016).[IF:4.506]

Paper in Conference : 1. Lattice QCD simulation using the Open ACC platform – P Majumdar, J. Phys Conf. Ser., 75, no. 1, 012070 (2016).

Ph.D. Degree Awarded : (1) Sourav Mondal (CU) Pushan Majumdar Lectures Delivered : Associate Professor Invited talk at (1) A set of twelve lectures in SERC Preparatory School, IIT-Gandhinagar; Lattice Gauge Theory and Mathematical (2) NVIDIA GPU Technology Conference (GTC), TIFR, Mumbai; (3) XXII DAE-BRNS Physics High Energy Physics Symposium-2016, Univ. of Delhi, Delhi. Associates : (1) S Mondal, SRF; (2) I Raychowdhury, RA-II Collaborators: (1) S Gupta (TIFR, Mumbai) ; (2) R Gavai (TIFR, Mumbai); (3) S Datta (TIFR, Mumbai) ; (4) N Mathur (TIFR, Mumbai); (5) E Gasparim (University of Antofagasta, Chile).

During 2016-17, I and my group members and collaborators have looked into several aspects of physics of strong correlations and dynamics in ultracold atom and condensed matter systems. Our finding in these areas are summarized in the research publications.

Publications in Journals 1. Entanglement generation in periodically driven integrable systems: Dynamical phase transitions and steady state - A Sen, S Nandy and K Sengupta, Phys. Rev. B, 94, 214301 (2016).[IF:3.664] 2. Tuning towards dynamic freezing using a two-rate protocol- S Kar, B Mukherjee and K Sengupta - Phys. Rev. B, 94, 075130 (2016). [IF:3.664] 3. Signatures and conditions for phase band crossings in periodically driven integrable systems - B Mukherjee, A Sen. D Sen and K Sengupta, Phys. Rev. B, 94, 155122 (2016).[IF:3.664]

Lectures Delivered : Krishnendu Sengupta, FASc, Invited talk at (1) NORDITA, Sweden; (2) Discussion Meeting on “Nonequilibrium FNASc Quantum Many Body Physics”, HRI, Allahabad; (3) Statphys Kolkata IX, SINP, Kolkata; Professor (4) Dept. of Physics, IIT-Gandhinagar; (5) Joint Institute for Nuclear research (JINR), Russia; (6) School of Physical Sciences, JNU, New Delhi. Condensed Matter Physics: Graphene, Non-equilibrium dynamics of quantum Sponsored Project critical system, Physics of Ultracold atoms, • Non-equilibrium dynamics …… ultracold atoms (DST) Quantum Phase Transitions Associates : (1) S Kar, SRA, CSIR; (2) S De Sarkar, SRF ; (3) S Das, SRF (Resigned on 30.09.2016); (4) B Mukherjee, SRF; (5) R Ghosh, SPMF, CSIR. ANNUAL REPORT 2016-2017 129

R-parity Violating Supersymmetry at IceCube : The presence of R-parity violating (RPV) supersymmetric interactions involving high- energy neutrinos can lead to resonant production of TeV-scale squarks inside large- volume neutrino detectors. Using the ultra-high energy neutrino events observed recently at the IceCube, with the fact that for a given power-law flux of astrophysical neutrinos, there is no statistically significant deviation in the current data from the Standard Model expectations, we derive robust upper limits on the RPV couplings as a function of the resonantly-produced squark mass, independent of the other unknown model parameters, as long as the squarks decay dominantly to 2-body final states involving leptons and quarks through the RPV couplings. With more statistics, we expect these limits to be comparable/complementary to the existing limits from direct collider searches and other low-energy processes. (with P S Bhupal Dev and W Rodejohan, Published in Physics Letters B)

Little Higgs after the little one : At the LHC, the Littlest Higgs Model with T-parity is characterised by various production channels. If the T-odd quarks are heavier than the exotic partners of the W and the Z, then associated production can be as important as the pair-production of the former. Studying both, we look for final states comprising at least one lepton, jets and missing transverse energy. We consider all the SM processes that could Dilip Kumar Ghosh conspire to contribute as background to our signals, and perform a full detector level simulation of the signal and background to estimate the discovery potential at the Professor current run as well as at the scheduled upgrade of the LHC. We also show that, Physics beyond the Standard Model, for one of the channels, the reconstruction of two tagged b-jets at the Higgs mass in particular, phenomenology of (Mh = 125 GeV) provides us with an unambiguous hint for this model. supersymmetric theories at colliders, CP (with D. Choudhury, S.K. Rai and I. Saha, Published in Journal of High Energy Physics) violation, B physics, Dark matter, Neutrino physics Publications in Journals Associates : 1. A mini review on CP-violating minimal supersymmetric Standard Model Higgs - A (1) I Saha, SRF (Resigned on 30.09.2016); Chakraborty and D K Ghosh – Pramana, 87, no. 3, 42 (2016). [IF: 0.692] (2) N Ghosh, JRF (CSIR); (3) S Ghosh, JRF 2. R-parity Violating Supersymmetry at IceCube - P S B Dev, D K Ghosh and W (CSIR) (Resigned on 17.08.2016); (4) A Rodejohann, Phys. Lett. B, 762, 116 (2016).[IF: 4.787] Shaw, RA-I (Joined on 22.08.2016); (5) A Biswas (Joined on 24.02.2017). 3. Distinguishing CP-odd couplings of the Higgs boson to weak boson pairs - S Dwivedi, D K Ghosh, B Mukhopadhyaya and A Shivaji - Phys. Rev. D, 93, 115039 (2016).[IF: 4.506] 4. Little Higgs after the little one – D Choudhury, D K Ghosh, S K Rai and I Saha, JHEP, 1606, 074 (2016).[IF: 6.023]

Ph.D. Degree Awarded : (1) Ipsita Saha (CU).

Lectures Delivered : Invited talk at (1) Mitchell Workshop on Collider Dark matter and Neutrino Physics, Dept. of Physics & Astronomy, Texas A & M University, US; (2) KIAS, Seoul, South Korea; (3) SINP, Kolkata, India; (4) 22nd Vietnam School of Physics Quy Nhon, Vietnam; (5) IFS, King Naresuan Univ., Phitsanulok, Thailand; (6) Indo French Meeting, CHEP, IISc, Bangalore. 130 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

We investigate aspects of quantum many-body theory, e.g., non-equilibrium dynamics of quantum many-body systems under external drive, signature of quantum phase transition in highly excited state, open quantum systems and more. Recently we have uncovering non-equilibrium signatures of quantum phase transition at finite energy densities. In contrast to the common folklore that singularities associated to a quantum phase transition are observable only at the ground state (or states with zero energy density), we have shown that non-analytic signature of quantum phase transitions can be observed in highly excited states with finite energy densities generated by non-equilibrium processes. We have employed this to locate topological phase transitions by measuring local quantities (densities) in the bulk, though these transitions cannot be characterized by any local order parameter. In the Fig. below we demonstrate results of our protocol in locating topological phase boundaries of well-known Haldane (tight-binding) model.

Arnab Das Assistant Professor Statistical and Condensed Matter Physics; Quantum Non equilibrium dynamics, Adiabatic quantum Computation Associates : (1) K Basu, SRF; (2) A Haldar, JRF; (3) M Mondal, Part time Honorary Research Worker.

Fig.: Locating the toplogical phase boundaries using a non-equilibrium signature in the bulk for the Haldane tight-binding model on honeycombed lattice: the derivatives of local observables (a and b) diverge at the critical points (marked by the vertical dashed lines) indicating that ∆E and ∆NA have a kink there. (c-d) Reconstruction of the phase boundaries using the location of the divergence. The thick dotted lines mark the equilibrium transition for the left (symmetric) half of the phase diagram for comparison. (Taken from Locating topological phase transitions using non-equilibrium signatures in local bulk observables, S. Roy, R. Moessner and A. Das, Phys. Rev. B 95(R), 041105 (2017).)

Publications in Journals 1. Dynamical many-body localization and delocalization in periodically driven closed quantum systems - A Haldar and A Das, Invited Feature Article for Annalen der Physik Special Issue (Vol. 529, No. 7, 1600333) on Many-body Localization (Published online:http://onlinelibrary.wiley.com/doi/10.1002/andp.,201600333/ epdf).[IF:3.443] 2. Locating topological phase transitions using non-equilibrium signatures in local bulk observables - S Roy, R Moessner and A Das, Phys. Rev. B, 95(R), 041105 (2017).[IF:5.578] 3. Eigenstate Gibbs ensemble in integrable quantum systems- S Nandy, A Sen, A Das and A Dhar - Phys. Rev. B, 94, 245131 (2016).[IF:3.664]

Lectures Delivered : Invited talk at (1) IMPRS Research Seminar at Max-Planck Institute, Dresden, Germany; (2) Dept. of Physics, IISc Bangalore; Colloquium at Presidency University; (3) Keynote Lecture at the Department of Physics, City College, Kolkata; (4) Conference on “Recent Trends in Condensed Matter and High Energy Physics” , Dept. of Theo. Phys., IACS; (5) Conference on “Dynamical Probes for Exotic States of Matter” at Max-Planck Institute, Dresden, Germany. ANNUAL REPORT 2016-2017 131

Mainly in the fields of strongly correlated systems and statistical mechanics. Some recent focus areas include • Frustrated magnets and spin liquids • Unconventional phase transitions • Entanglement properties of many-body systems • Numerical many-body physics Publications in Journals 1. Fractionalized Z_2 classical Heisenberg spin liquids - J Rehn, A Sen and R Moessner, Phys. Rev. Lett., 118, 047201 (2017).[IF:7.645] 2. Level spectroscopy in a two-dimensional quantum magnet: Linearly dispersing spinons at the deconfined quantum critical point - H Suwa, A Sen, and A W Sandvik, Phys. Rev. B, 94, 144416 (2016).[IF:3.664] 3. Classical Spin Liquid on the Maximally Frustrated Honeycomb Lattice - J Rehn, A Sen, K Damle and R Moessner, Phys. Rev. Lett., 117, 167201 (2016).[IF:7.645] 4. Eigenstate Gibbs ensemble in integrable quantum systems - S Nandy, A Sen, A Das and A Dhar, Phys. Rev. B, 94, 245131 (2016).[IF:3.664]

Lectures Delivered : Invited talk at (1) CMT Seminar at MPIPKS, Dresden, Germany; (2) Workshop on “Current Frontiers in Condensed Matter Physics”, ICTS, Bangalore; (3) Physics Arnab Sen Colloquium, Presidency University; (4) Group Seminar, IIT Kanpur; (5) Physics Colloquium, Dept. of Physics, IIT-Kanpur; (6) Statphys Kolkata IX, SINP, Kolkata; (7) Assistant Professor National Workshop on Condensed Matter Physics in Last Decade (WCMP-2017), Statistical and Condensed Matter Dept. of Physics, IIT-Kharagpur. physics; spin liquids, phase transitions, Sponsored Project entanglement in many-body systems, • Spin liquids : Correlations …… disorder (collaborative project between MPIPKS, Monte-Carlo methods Dresden and IACS) Associates : Others Departmental Publications in Journals : (1) S Nandy, SRF; (2) T K Bose, RA-I 1. Magnetic modeling and effect of biaxial strain on the Haldane chain compound (Institute). SrNi2 V2O8 - K Samanta, S Kar, T Saha-Dasgupta, Phys.Rev.B, 93, 224404 (2016).[IF:3.664] 2. Two-rate periodic protocol for driving through many cycles - S Kar, Phys.Rev.B, 95, 085141 (2017).[IF:3.664] 3. Effects of nonminimal universal extra dimension on B→Xs g - A Datta and A Shaw, Phys Rev. D., 95 015033 (2017).[IF:4.506] 4. A closer look at the RD and RD* anomalies - D Bardhan, P Byakti and D Ghosh, JHEP, 1701 125 (2017).[IF:6.023] 5. Higgs mass from neutrino-messenger mixing - P Byakti, C K Khosa, V S Mummidi and S K Vempati, JHEP, 1703 028 (2017).[IF:6.023] 6. Constraining some Horndeski gravity theories - S Bhattacharya and S Chakraborty, Phys. Rev. D, 95, 044037 (2017).[IF:4.506] 7. Buchdahl compactness limit for a pure Lovelock static fluid star - N Dadhich and S Chakraborty, Phys. Rev. D, 95, 064059 (2017).[IF:4.506] 8. Decrypting Encoded epigenetic marks of human tRN-A-RS genes in normal, stem and cancer cell lines - S Mitra, A Samadder, P Das, S Das, M Dasgupta, and J Chakrabarti; J Bio Str and Dyns (2016) [Published online] [IF:2.919] 9. tRN-A-RS act as biomarker in cancer and other diseases - A Samadder, S Mitra, B Chakrabarti and J Chakrabarti; J of Molecular Biomarkers & Diagnosis, S2:019. (2016).[IF:1.2]

Others Departmental Publications in Books/Book Others Departmental Fellows attended in Symposium/ Chapter/Monographs Journals : Workshop 1. Fundamental theories of Physics, vol. 187 – S Chakraborty, • S. Kar : (1) IOP Bhubaneswar; NISER, Bhubaneswar; (3) Sprinter, 43 (2017). IISER-Kolkata. • T K Bose : (1) IMSc, Chennai. Others Departmental Ph.D. Degree Recipients : • S Chakraborty : (1) Department of Physics, IISc, Bangalore; • J Chakrabarti and C Sinha : (1) Sanga Mitra (JU) (2) International Conference at ICTS Bangalore; (3) IUCAA, • J Chakabarti and P Basak (JU) : (1) Suman Ghosal (JU); (2) Pune. Shaoli Das (JU) • S Mitra : (1) The BIOME, Kolkata. • I Saha : (1) ICTS Workshop, Bangalore; 2) Workshop at LHC Run II, SINP, Kolkata. 132 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA ANNUAL REPORT 2016-2017 133

Emeritus Professors and Senior Scientists 134 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

The main concern has been the doctoral work of P. C. Rây (1885-1887), Double

sulfates of type MbSO4.Mm2SO4.6H2O where Mb and Mm are bivalent and monovalent metals respectively have been known for long. There were speculations that two double salts may combine to form double-double sulfates. Rây investigated this problem as his doctoral work. At the end of many experiments he concluded that such sulfates indeed exist and have the formula xA.yB where x and y are small integers and A and B are two double sulfates of the above type having different Mb but same Mm. The internal structure of double sulfates became known only after 1930. Double sulfates have a very stable crystal structure and form a distinct phase. All claimed double double sulfates including Rây’s are only solid solutions of the two double sulfates and not distinct phases. Many years later (1929-1930) Rây made important contributions to double salt chemistry based on isoelectronic anion 2- 2- 2- replacement such as SO4 by BeF4 or PO3F . We are now scrutinizing P. C. Rây’s original research contributions to synthetic organic chemistry.

Animesh Chakravorty, FASc, FNA, Publications in Journals FTWAS 1. Doluble sulfates and relateds species contributions of P.C. Rây- A. Tata Chemicals Distinguished Emeritus Chakravorty, J. Indian Chem. Soc., 93, 409 (2016). Professor Publications in Books/Book Chapter/Monographs Molecular Transition Metal Chemistry, 1. A portrait of Prafulla Chandra’s lifelong tryst with chemistry-A. Chakravorty, Book History of Chemistry, Popularization of chapter in ‘Sir P. C. Ray : the father of chemistry teaching and research in India, a Chemistry philanthropist, and an enterpreneur’, Indian Science News Association, Kolkata, p75-113 (2016).

Nanodimensional glasses in the system Fe2O3 . SiO2 were grown within mesoporous silica having pores of diameter 5.5 nm using hydrothermal and sol-gel methods. The composites showed ferromagnetic behaviour which was ascribed to an antiferromagnetic interaction between Fe2+ and Fe3+ ions in the nanoglass. The nanocomposites exhibited large values of magnetodielectric parameter in the range 7.9% to 51.2% depending on the nanoglass composition. Catalan’s model based on Maxwell – Wagner space change polarization at the interfaces of the mesoporous silica and the nanoglass phase was used to explain the experimental data. A negative magnetoresistance of some of the nanoglasses was observed which was ascribed to weak localization of electrons causing weak spin-orbit coupling. NiO particles of diameter ~21 nm were synthesized by sol-gel method using the triblock copolymer P123. Presence of Ni2+ and Ni3+ ions in the material was confirmed by X-ray photoelectron spectroscopy The magnetization shown by the nanoparticles was much higher than that reported in the literature. This was explained as arising due to the presence of Ni3+ ions. The electrochemical characterization of electrodes made of these NiO nanoparticles showed a very high value of specific capacitance Dipankar Chakravorty, FASc, FNA, viz., 810 F/g. FTWAS Publications in Journals Emeritus Professor, INSA Honorary 1. A brief review on Graphene / Inorganic nanostructure composites : Materials for Scientist & SERB Distinguished Fellow the future - S Mitra, S Banerjee, A Datta and D Chakravorty, Indian Journal of Nanomaterials, multiferroics, Physics 90, 1019 (2016).[IF:1.166] nanocomposites 2. Large magnetodielectric effect in composites of Fe2O3 – SiO2 nanoglass and mesoporous silica - S Chatterjee, R P Maiti, S K Saha and D Chakravorty, J. Phys. D. : Appl. Phys., 49 255001, (2016).[IF:2.772] 3. Synthesis of NiO nanoparticles by a simple chemical method - S Chatterjee, R P Maiti, S K Saha and D Chakravorty, AIP Conference Proceedings, 1731, 050139 (2016). 4. NiO Nanoparticle synthesis using a triblock copolymer : Enhanced magnetization and high specific capacitance of electrodes prepared from the powder - S Chatterjee, R Maiti, M Miah, S K Saha and D Chakravorty, ACS Omega, 2, 283 (2017).

Lecture Delivered : (1) Keynote Lecture at Birla Industrial and Technological Museum, Kolkata in Symposium on Nanotechnology.

Sponsored Project : • Distinguished Fellow (DST-SERB) ANNUAL REPORT 2016-2017 135

Spin Adaptation of State-Specific and State-Universal Multi-Reference Coupled Cluster Theories : We developed recently a spin-adapted version of both state-universal and state- specific theories using an Ansatz suggested by us four years ago. Since we now have fully operational computer codes, we are able to demonstrate that the formalisms are excellent for providing very accurate ionization potential, excitation energies and potential energy surfaces leading to bond-breaking. They are thus quite versatile and of considerable potential for future applications.

Aspects of size-extensivity and avoidance of intruders in many- electron correlation problem: An effective Hamiltonian formalism using Incomplete Model Space (IMS) : We have developed a very general version of the above theories which do not rely on the use of complete active space and have shown its efficacy to treat core excited and valence excitation energies with very high accuracy. We have now got beyond the pilot implementation and we are interfacing our code to one developed by Trond Saue which generates compact virtual orbitals. Debashis Mukherjee Emeritus Chair Professor Study of relativistic and correlation effect in spectroscopic parameters : Development and Applications of Many- For medium sized molecular systems relativistic effects may take a major role on top Body Theories for Electronic Structure of electron correlation. Usually it is the relativistic contribution of the kinetic energy operator, which would be the more dominant. We have developed and applied Associates : the relativistic spin-free exact two-component (SFX2c-1e) method using our very (1) R Kayal, JRF; (2) K Hazra, JRF; (3) D recent formulation of the state-specific MRCC and used it in combination with the Chakrabarti (JRF) Spin Adapted State-Specific Multi-reference Perturbation Theory (SA-SSMRPT2) method to investigate some spectroscopic properties of diatomic molecules in the Collaborators : Alkali Hydrides and Hydrogen Halides. The various spectroscopic parameters like (1) R Maitra, RIKEN, Japan; (2) A Shee,Univ equilibrium distance, re, harmonic frequency, ve, anharmonic constant vege and the of Michigan, Ann Arbor, USA; (3) T Saue, dissociation energy D show distinct improvement compared to the NR theory. Paul Sabatier University; (4) B P Das, e Tokyo Institute of Technology; (5) A Sen, Another fruitful direction in which we payed a lot of attention is the study of the MPI, Muelheim, Germany; (6) T Helgaker, importance of both scalar relativistic effects (the KE of the relativistic electrons) and CTCC, Oslo; (7) L Cheng, Johns Hopkins the spin-free component of the retardation effect beyond the instantaneous Coulomb University; (8) S Sen, CTCC, OSLO. term; this latter, which is called the Gaunt term, starts making quite significant contributions to the core IP in heavier atoms. More detailed studies are under way.

Award/Recognition : • Member, Program Committee, International Academy of Quantum Molecular Science, Menton. • Member, International Advisory Committee of the Molecular Science and Technology (MIST) Program, Institute of Atomic and Molecular Science, Academia Sinica, Taiwan. Lecture Delivered : (1) Plenary talk, delivered at the International Symposium of Theoretical Chemical Physics, Grand Forks, USA, 2016; (2) Inaugural talk at the Theoretical Chemistry Meeting honoring K L Sebastian, Bangalore, 2016; (3) Inaugural talk at the Theoretical Chemistry Symposium of India, Hyderabad, 2016. 136 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

• In a solid core silica glass based photonic crystal fiber (PCF) the coefficient of nonlinearity is positive and constant due to homogeneity of silica glass. Cladding of PCF constitutes array of air holes surrounding solid silica core glass along the length of the fiber (schematic fiber cross-section in Fig 1(a)). A novel solid core PCF where the core glass is doped with silver (Ag) nano-clusters facilitating negative nonlinearity has been demonstrated. When the PCF is suitably pumped by a laser pulse (typical pulse width varies from few femtoseconds to few nanoseconds) a broad supercontinuum spectrum from UV to IR is obtained with special features. Each segment of the output spectrum appears to be highly spectrally and spatially coherent but low temporal coherence and behaves as a best light source for coherence tomography application. Through analytical model and numerical analyses it has been shown that this metal doped solid core PCF offers great control on the position and spectral bandwidth of the UV-visible part of the continuum.

Shyamal Kumar Bhadra Emeritus Professor (CSIR) Study of intense Raman soliton dynamics in supercontinuum light with negative nonlinearity in photonic crystal fiber Fig 1: (a) Cross-section of Ag-doped fiber (b) Fundamental mode field distribution at operating wavelength of (PCF), and trapping of optical mode in 2D 880 nm. (c) Frequency down shifting of a second order soliton (N=2) in absence (red pulse) and presence photonic crystals, plasmonic hollow core (pink pulse) of ZN point. It is evident that, in presence of ZN point (dotted vertical line) frequency red shifting is restricted significantly (d) Spectral evolution for two cases (presence and absence of ZN point). In absence of PCF and twisted PCF at Dirac point. ZN point Raman red shifting is restricted as shown by arrow Associates : (1) R Chattopadhyay, RA (Institute); (2) • Another class of optical guided medium which is based on hollow-core and T Biswas, SRA (CU); (3) S Bose, SRA photonic crystal cladding (HCPCF) where optical guidance is due to photonic (AcSIR); (4) S Majumder, External Student bandgap mechanism. Since optical mode propagates through air, dispersion does not influence the propagation characteristics. If this HCPCF is twisted then it is (CU); (5) Ms S Mitra, SRA (JU) possible to couple higher order crystal mode into the core at Dirac point. Numerical and analytical models of twisted hollow core photonic crystal fiber (HCPCF) in silica matrix have been developed in order to design optical waveguide that would support unidirectional propagation of vortex light modes imbibing orbital angular momentum (OAM).

List of Publications : 1. Implications of a zero-nonlinearity wavelength in photonic crystal fibers doped with silver nanoparticles - S Bose, A Sahoo, R Chattopadhyay, S Roy, S K Bhadra and G P Agrawal, Physical Review A, 94, 043835 (2016).[IF:2.765] 2. Dirac-mode guidance in silica-based hollow-core photonic crystal fiber with high- index dielectric rings - T Biswas, R Chattopadhyay and S K Bhadra, Physica Status Solidi B, 253, 10, 1898 (2016).[IF:1.522] 3. Modelling of measured optical properties of Pd–Au alloy ultrathin film for room temperature hydrogen sensing - S Mitra, R Chattopadhyay, J Ghosh, S Bysakh and S K Bhadra, Physica Status Solidi- A, 213 (9), 2406 (2016).[IF:1.648] 4. Safe and simple detection of sparse hydrogen by Pd-Au alloy/air based 1D photonic crystal sensor - S Mitra, T Biswas, R Chattopadhyay, J Ghosh, S Bysakh and S.K. Bhadra, Journal of Applied Physics, 120, 173102 (2016).[IF:2.101] 5. Extraordinary light transmission in hollow core photonic crystal fiber - T Biswas, R Chattopadhyay and S Bhadra, Trans. Ind. Ceram. Soc., 75, 209 (2016).[IF:0.548]

Ph.D. Degree Awarded : (1) Rik Chattopadhyay (CU)

Sponsored Project : • Study of intense Raman solution ….. Dirac point (CSIR-ES Scheme) • High Power ….. Optical Amplifier (CSIR) Lectures Delivered : Invited talk at (1) Photonics-2016 IIT-Kanpur; (2) DST-SERC School, Pondicherry University; (3) IEM-OPTRONIX, Kolkata; (4) Annual meet of optical fiber cable industries association of India, Mumbai; (5) CNDA-16, Durgapur Govt. College; (6) Physics Colloquium, Visva Bharati University, Santiniketan ANNUAL REPORT 2016-2017 137

A decyanative cross-coupling of aryl selenocyanate with aryl/alkyl acetylenes, boronic acids and silanes has been accomplished by a copper-assisted nucleophilic displacement reaction for an easy access to a series of di-aryl, aryl-alkyl, aryl-vinyl and aryl-alkynyl selenides. A new calcium chloride mediated C-F bond cleavage in electron deficient fluoroarenes followed by functionalisation via C-Se/Te bond formation has been achieved in the absence of any additive/ligand/organometallic reagent. A series of functionalised organo-selenides and –tellurides were obtained in high yields by this procedure. An efficient tandem ortho C-H amination/ipso-cyanation of iodoarenes has been accomplished under a norbornene mediated palladium catalyzed process. A series of functionalized 2-aminobenzonitriles that are of much potential in pharmaceutical industry have been obtained by this protocol. Significantly, this strategy has been successfully employed for substitution with two cyano and four amino functionalities in one step under specified conditions.

Publications in Journals 1. Copper-Silver dual catalyzed decyanative carbon-selenium cross-coupling – N Mukherjee, D Kundu and B C Ranu, Adv. Synth. Catal., 359, 329 (2017).[IF: 6.453] 2. Calcium mediated C-F bond substitution in fluoroarenes towards C-Chalcogen bond formation – P Maity, S Ahammed, R N Manna and B C Ranu, Org. Chem. Front., 4, 69 (2017).[IF:4.693] Brindaban Chandra Ranu, FASc, 3. Silver-catalyzed carbon-selenium cross coupling using N- (phenylseleno) FNA phthalimide : An alternate approach to the synthesis of organoselenides – N INSA Senior Scientist and J C Bose Fellow Mukherjee, S Paul, A Saha and B C Ranu, Can. J. Chem., 95, 51 (2017).[IF:1.003] Green synthesis; Catalysis by transition 4. Cobalt catalysed, copper assisted C(sp2)-P cross coupling – T Ghosh, P Maity, D metals, metal nanoparticles and Kundu and B C Ranu, New J. Chem., 40, 9556 (2016).[IF:3.277] heterogeneous supported metal salts; 5. Palladium catalyzed norbornene mediated tandem ortho C-H Amination/ Ipso Visible light and ball milling mediated C-I cyanation of iodoarenes : Regiospecific synthesis of 2-Amino benzonitrile – B transformations Majhi and B C Ranu, Org. Lett., 18, 4162 (2016).[IF:6.732]

Associates : Sponsored Project (1) N Mukherjee, SRF (till October, 2016); • J C Bose Fellowship, DST (2) B Majhi, SRF (CSIR); (3) P Maity, SRF (CSIR), (4) T Ghosh, SRF (jointly with Dr. • INSA Senior Scientist Joyram Guin), (5) S Panja, JRF (jointly with Ph.D. Degree Awarded : Dr. Joyram Guin) (1) Nrmalya Mukherjee (JU)

Lectures Delivered : Invited talk at (1) Asutosh College, Kolkata; (2) Patna University; (3) NIIT, Agartala; (4) Sastra University, Tamilnadu; (5) CSIR-NEIST, Jorhat, Assam; (6) Las Vegas, USA; (7) Regis University, Denver, USA; (8) Tejpur University, Assam; (9) KIIT, Bhubaneswar, Odisha; (10) Reva University, Bangalore; (11) Calcutta University, Kolkata; (12) BITS, Pilani, Goa; (13) Nagaland University, Lumani Campus; (14) Visva-Bharati, Santiniketan. 138 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Cyclopenta[b]furan-2-one is a common structural unit present in a number of fused tricyclic marine polyketides called gracilioethers. These structurally novel compounds exhibit significant antimalarial and antifungal activities. We have developed a methodology for the construction of cyclopenta[b]furan-2-one for entry into this family. The key step involves an intramolecular 1, 4–conjugate addition of a radical

generated by Cp2TiCl mediated epoxy ring opening to a butenolide. The latter in turn was obtained from ring closing metathesis of an appropriately constructed diallyl ether followed by oxidation of the resulting dihydrofuran.

Publications in Journals 1. A simple approach to the construction of the core structure present in bielschowskysin and hippolachnin A – R Datta, M Sumalatha and S Ghosh, J. Chem. Sci., 128, 1019 (2016).[IF:1.298].

Sponsored Project • J C Bose National Fellowship, DST Lectures Delivered : Invited talk at (1) Saldiha College, Bankura; (2) KIIT University, Bhubaneswar; (3) NIT, Rourkela.

Subrata Ghosh, FASc, FNA JC Bose National Fellow and INSA Senior Scientist Synthesis of complex natural products, chiron-based asymmetric synthesis, development of new synthetic methodologies Associates : (1) R Datta, SRF (CSIR) ANNUAL REPORT 2016-2017 139 Scientists Supported by Extramural Funding

Barun Jana, PI (SERB Young Scientist): Synthesis of Carbene Stabilized Group 13 Elements Phosphides and Nitrides: Applications and Use in the Synthesis of New Molecular Scaffolds. Publication in Journal : 1. New aluminum and gallum complexes of beta-diketiminato and beta-ketiminato ligands – B Jana and U Werner, Inorg. Chemical Acta., 455, 61 (2017).[IF:2.046] Sponsored Project • Synthesis …… Scaffolds (DST-SERB)

Mainak Mitra, PI (SERB Young Scientist): Development of noble molecular catalysts of non-innocent azoaromatic based ligand for catalytic transfer hydrogenation reaction and proton reduction. Sponsored Project Development of Noble …… Reduction (DST-SERB)

Reena Singh, PI (SERB Young Scientist): Effect of Secondary Coordination Sphere on the Reactivity of Biomimetic Metal-Oxygen Oxidants. Sponsored Project • Effect ….. Metal Oxygn Oxidants (DST-SERB)

Dr. Chhayabrita Maji (DST Woman Scientist) Publication in Journal : Driving force for martensitic transformation in Ni2Mn1+ xSn1− x, S Pal, S Sarkar, S K Pandey, C Maji, and P Mahadevan, Phys. Rev. B, 94, 115143 (2016).[IF:3.718] Properties of magnetic shape memory alloys in martensitic phase, C Maji, Current Science, 112, 1390 (2017).[IF:0.833] 140 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA Technical Research Centre for Molecules and Materials

The Technical Research Centre (TRC) aims to utilize wide-ranging [2] Press Release: ICAR Newsletter: http://www.icar.org.in/files/ scientific expertise of its faculty members for translational research ICARNewsJanuary-March2017Final(1).pdf under the following four work packages: • Work Package 1: Quantum Materials for Application Study Reports: • Work Package-II: Materials for Energy and Environment • Investigating Commercial Feasibility of Novel Materials • Work Package-III: Polymers, Disordered, Soft and Nanobio for Modern-day Therapeutics and Agricultural Pest Materials for Devices, Diagnostics and Therapeutics Management Multi-drugs resistance (MDR) is one of the major challenges faced • Work Package-IV: Molecules: Understanding, making and by the cancer patients during their prolonged chemotherapeutic exploring commercial viability treatments all over the world. In the search for modern-day therapeutics along this line, a gemini version of the pH-sensitive Number of Projects/Scientists Supported: amphiphile, palmitoyl homocysteine, was synthesized. This gemini lipid was mixed with the natural zwitterionic lipid, DOPE ~25 and cholesterol at a particular molar ratio to form a unique co-liposomal formulation. This pH-responsive co-liposomal Research papers/Journal or Book formulation can efficiently transport the well known anticancer drug, doxorubicin (DOX), across the drug resistant cancer cell Publications: lines and is thus proven to be a unique solution to overcome [1] Parikshit Moitra, Krishan Kumar, Sourav Sarkar, Paturu drug resistance [1]. Kondaiah, Wei Duan and Santanu Bhattacharya. New pH- In a separate case, the search for novel materials as pheromone responsive gemini lipid derived co-liposomes for efficacious nanosensor continues to be one of the main focus of our doxorubicin delivery to drug resistant cancer cells. Chem. research. We have developed a technology for the selective Commun. 2017, 53, 8184. and quantitative detection of female sex pheromone of some [2] Parikshit Moitra, Deepa Bhagat, Rudra Pratap and Santanu agricultural pests, like Helicoverpa armigera [2] and Bactocera Bhattacharya. Selective detection of female sex pheromone oleae [3]. The recognition of pheromone molecules even of Helicoverpa armigera by an eminent surface functionalized before visual onset of the infestation may alert the farmers to template. Protocol Exchange (Nature publishing group), DOI: take necessary actions in a localized manner before crop loss 10.1038protex.2017.057 starts to occur and thus this approach may be efficiently and economically used in agricultural farms to significantly reduce crop losses and the attendant financial losses. We are now Patents: fostering the technology of pheromone nanosensor to a more commercializable aspect, i.e. by the introduction of long period [1] Filed a patent on “MMTr-protected H-phosphonate monomers fiber grating (LPFG) based sensors. and MMTr-deprotection by organic acids are the right combination of morpholino oligonucleotides synthesis” (Patent • Sunscreen-Based Functional Nanoparticles: Application No. as 201631037420, 2nd November, 2016). Preparation of spherical nanoparticles from sunscreen molecule [2] Santanu Bhattacharya, Rudra Pratap, Parikshit Moitra, Deepa (avobenzone) and sunscreen molecule encapsulated polymer Bhagat. Forecasting of Pest Incidence: A Unique Surface nanoparticles in aqueous media and study their fundamental Functionalized Template for the Selective Detection of Pheromone photophysical properties by steady state and time resolved of the Olive Fruit Fly, Bactocera oleae. European patent applied, spectroscopy. Potential application in addressing harmful 2017. (application number: PCT/IN2017/050025) effects of the ultraviolet light component in the solar spectrum such as allergy, skin ageing, and skin cancer. Award: • Triboelectric Power Generation: A flexible triboelectric nanogenerator (FTENG) has been The research received the prestigious Gandhian Young designed using polydimethylsiloxane (PDMS) and aluminium Technological Innovation (GYTI) Award, 2017 at the Rashtrapati (Al) combinations to convert ambient mechanical energy into Bhavan, New Delhi for the project entitled “A Novel Bio-engineering electrical outputs. An open-circuit output voltage of ~40 V Approach to Generate an Eminent Surface Functionalized Template and short-circuit current density of ~63.6 mA m-2 with power for the Selective Detection of Female Sex Pheromone of Certain density 0.62 W m-2 has been obtained from the FTENG. Agricultural Pests”. Potential material for self-powered tactile sensing in electronic skin for robotic application are being inevstigated. Media Highlights: • Quantum Materials for Spintronics: [1] Press Release: https://researchmatters.in/article/scientists- Half-metallic antiferromagnets (HMAFM) proposed more than engineer-low-cost-device-detect-pests-crop-infestation two decades ago continue to gather serious attention till recent times as they offer an unique possibility of realizing an exotic ANNUAL REPORT 2016-2017 141

state that has large degree of spin polarization of conduction encompasses the fine-tuning of a number of factors which has electrons but vanishing macroscopic magnetic moment. Such a been addressed by theoretical investigations. Photodimerization state could support a peculiar spinless type of superconductivity, chemistry of anthracene is known for a long time. Although and one can imagine numerous possible applications for a half the absorption spectra of anthracene also falls in the UV-Vis metal that is relatively impervious to the external magnetic fields. region of the solar spectra, the implementation of anthracene In this respect, double perovskite materials (AA’BB’O6) have as a solar thermal storage material is hindered not only because turned out to be one of the popular searching grounds because of low quantum yield of inter-molecular 4π+4π cyclo-addition of the possibility of tuning the B,B’ cation occupancy to achieve but also due to its negative ground state storage enthalpy. In desired properties. In this context, we are mainly dealing with this context, computational investigation of photo-dimerization LaAVMoO6 (A = Ca, Sr, Ba) series of compounds and observed of 9,10-disubstituted linked-anthracene systems have shown that within this double perovskite structure La-O covalency promises due to not only its intra-molecular nature of reaction brings forth strong competition against normal cationic order/ but also its large positive ground state enthalpy. Moreover, the disorder which strongly influences their physical properties. It is optical, thermodynamic, and kinetic properties of these systems evident that Ca2+ , Sr2+ , or Ba2+ at the A-site, along with La3+, can vary dramatically depending on the chosen linker simply would offer a tool to modify the A-site ordering and manipulate because of the increasing steric effect in the rings formed after La-O covalency. Our experimental and theoretical results reveal 4π+4π cyclo-addition. Based on these calculations we obtained that the Ca-compound sits at the extreme end of the series in design rules for how to increase the energy storage capacity which large phase separation in terms of La,V and Ca, Mo-rich of the photoswitch. Modelling of absorption spectra, potential phases occur as a result of dominant La-O covalency effect. On energy storage, and thermal barriers for back-conversion of the other hand the Ba-compound is more correctly described as several substituted systems are being done using density a layered A-site ordered and nearly complete B-site disordered functional theory and time-dependent density functional theory. double perovskite where cationic order dominated the La-O Our preliminary studies has yielded promising results with linked covalency. Therefore, one step towards achieving a nearly anthracene systems. ordered, therefore a possible HMAFM system, could be made. • Coupled Quantum Dots as Nano-diodes: Technologies Developed / Deployed / For the last two or three decades it has been reported that Demonstrated /Commercialised: charge transfer phenomena and rectification character are intimately connected. Ratner and co-workers predicted Yet to be done. However, already a product has been transferred molecular diodes not from single molecule rather from molecular from the TRC to Tata Steel Pvt. Ltd. for testing its efficacy to heterojunctions where charge transfer allows asymmetric removed cyanide from industrial waste water. In small scale the current (I)-voltage (V) characteristics and therefore exhibits good compound showed promising results. rectification ratio. As an alternative to molecular heterojunctions we have studied semiconducting coupled quantum dots. Our Start-ups launched/incubated: transport calculations on type II CdS-ZnSe coupled quantum dots not only reveal asymmetric I-V characteristics but also Industry partners have been identified for joint venture such as: (i) high rectification ratio, suggesting such coupled quantum dots Negotiations are going on between TRC scientists and Bangalore may be used as nano-diodes. This theoretical input may be based NGO called “DART (Dystrophy annihilation research trust)” utilized for the design of nano-diodes. and with Dr. Paul Morcos, USA (http://www.oligoexpert.com) for the scale up of the product and possible commercialization of the • Drug Delivery: product. (ii) A joint research project has been initiated between Synthetic methodology have been developed for functional a TRC scientist and Unilever Pvt. Ltd. on development of smart poly(disulfide)s which form nano-container for cancer drugs. In cosmetics. (iii) A project has been initiated and funded by Tata Steel vitro studies have been done to show great promise for these Pvt. Ltd. to TRC scientists on developing materials for toxic anion materials as delivery vehicle for cancer treatment. In vivo studies removal from water. and further studies on fundamental understanding on these materials are underway. Number of beneficiaries under the scheme: • Fabrication of a low-cost chemiluminescence based arsenic sensor in drinking water: 25 faculty members and about 50 research scholars The accuracy of strip arsenic sensors widely used in sampling drinking water in India being far below the WHO recommended Any other specific outcome relevant to the permissible limit, we are engaged in building a low-cost more accurate sensor based on chemiluminescence detection for the scheme: gas phase reaction between AsH3 with O3, after conversions • The core team comprising more than 40% faculty members of of all arsenic salts to AsH3.The key step is making a reliable IACS has been identified to conduct the translational research low cost ozone generator by passing electric discharge through under the ambit of TRC. air within the apparatus. An ozone generator has been built, and we are currently optimizing to enhance the ozone yield. • Several equipments have been procured/ to be procured soon Chemiluminescence for the above mentioned reaction has been under TRC to facilitate the multi-dimensional task proposed in identified, and we are also optimizing its sensitivity. the original proposal. • Recruitments have been done at various positions as sanctioned • Energy storage: by TRC. Molecular photo-switches that are proficient in storing solar energy are interesting candidates for future renewable energy • An industry-academia conclave has been recently organized at applications. Finding an ideal solar-thermal storage material IACS to initiate collaborative work between TRC scientists and suitable industry partners. 142 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Lectures/Seminars & Colloquia ANNUAL REPORT 2016-2017 143 Endowment Lectures

Professor Todd J. Martinez Professor CNR Rao, Bharat Ratna, FRS JC Bose Memorial Lecture IACS Inaugural Lecture

Professor Alan Goldman Professor Chennupati Jagadish K S Krishnan Memorial Lecture Joy Kissen Memorial Lecture

Title Speaker Name of the Lecture Inorganic Analogues of Graphene: Professor CNR Rao, Bharat Ratna and FRS, National Inaugural IACS Lecture Recent Results Research Professor Linus Pauling Research Professor & Honorary President Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore Semiconductor Nanowires for Professor Chennupati Jagadish, The Austrilian National Joy Kissen Memorial Lecture Optoelectronics and Energy University, Australia Applications Collisions with small and large Professor Lokesh C Tribedi, TIFR Mumbai T K Rai Dastidar Memorial Lecture molecules - a window to interdisciplinary science Role of Experiments in the Progress Professor D.P. Roy, TIFR-Mumbai Asutosh Roy Memorial Lecture of Science: Lessons from our History Discovering Chemistry With Professor Todd Martinez J C Bose Memorial Lecture Advanced Computing and Machine Stanford University Learning Stanford University J C Bose Memorial Lecture Dehydragenation and Related Professor Alan Goldman, Rutgers University, USA K S Krishnan Memorial Lecture Reactions …. New Class of Catalysts The History of Time, Time Keeping Professor D P Sengupta, National Institute of Advanced S N Sen Memorial Lecture and Indian Standard Time Studies, Bangalore Professor Deepak Dhar, TIFR, Mumbai C K Majumder Memorial Lecture 144 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA Lectures/Seminars Organized at IACS

Name and organization of the Speaker Title of the Lecture Professor Kanishka Biswas New Chemistry Unit, Jawaharlal Nehru Origin of ultra-low thermal conductivity in complex chalcogenides: Centre for Advanced Scientific Research (JNCASR), Jakkur P.O., Effect of intergrowth nanostructure, lone pair and anharmonic Bangalore 560064 (India) rattling Dr. Lok Kumar Shrestha, National Institute for Materials Science Self-assembled Fullerene Nanomaterials : From Zero-to-Higher (NIMS), Tsukuba, Japan. Dimensions Professor Rama R Bhattacharjee, PSG Institute of Advanced Polarization induced surface ordering in solvent-less liquid-like Studies, Peelamedu, Coimbatore, Tamil Nadu 641004, India carbon quantum dots : A new energy storage concept inspired from biotechnology Dr. Suchetan Pal, Center for Molecular Imaging and Spherical Nucleic Acids: from Self-assembly to Cancer Imaging Nanotechnology (CMINT), Memorial Sloan Kettering Cancer Center, New York, USA Dr. Manoj Raula, Department of Chemistry and Ilse Katz Institute Unique role of organic and inorganic ligands on the resultant for Nanoscale Science and Technology, Ben-Gurion University of structure and functionality of the nanomaterials Negev, Israel Dr. Subrata Kundu, Georgetown University; Department of Modeling NO Processing at Mononuclear Cu and Ni Sites Chemistry, 37th and O St NW, Washington, DC-20057, USA Dr. Prasenjit Mahato, Dept. of Chemistry and Biochemistry, Development of smart molecular systems and their applications Graduate School of Engineering, Kyushu Univeristy,744-Moto- in molecular recognition, self-assembly and optical upconversion oka, Nishi-Ku, FUKUOKA-819-0385, JAPAN Dr. Chinmoy Ranjan, Max Planck Institute for Chemical Energy Structural dynamism in catalyst systems for water oxidation Conversion Dr. Abhishake Mondal, Le Centre National de la Recherche Switchable Molecular Magnetic Materials: Journey from 3D Scientifique (CNRS), Centre de Recherche Paul Pascal (CRPP), network to ultimate miniaturization and future application Pessac, France Dr. Ruchira Chatterjee, Lawrence Berkeley National Laboratory, Structural Study of the Oxygen Evolving Complex of Photosystem USA II using Pulsed EPR spectroscopy and Room temperature femtosecond X-ray crystallography Dr. Pradip Chakraborty, School of Chemistry, University of Geneva, Strategy to tune cooperativity in Spin-crossover compounds and Geneva, Switzerland equilibrium dopant composition in Semiconductor Nanocrystals Dr. Shrinwantu Pal, Department of Chemistry and Biotechnology, DFT-aided catalyst design and serendipity: Platinum-mediated University of Tokyo, Japan activation of C-H, B-H and O-H bonds Dr. Sundargopal Ghosh, Departent of Chemistry, IIT Madras A journey from classical to non-classical metallaboranes Prof. Tapash Chakraborty, Univ of Manitoba, Canada New 2DEG in Sun Lotion and the Novel Physics Dr. Ranjit Thapa, SRM Research Institute Descriptor for sp2 carbon based catalysts and anode materials for Lithium ion batteries Samaresh Guchhait, University of Maryland, USA Direct observation of temperature chaos in mesoscopic spin glasses Apurba Dev, KTH Royal Institute of Technology, Sweden Electrokinetic effect in label-free biomolecule sensing Dipankar Bain The role of surface capping on energy transfer in metal cluster– semiconductor nanocomposites Arnab Ghosh Tuning of charge transfer with varying size of QDs in hybrid nanostructure composed of CdTe QDs-MEHPPV PNP Dr. Arnab Ghosh, Weizmann Institute of Science, Israel Quantum Heat Engine Dr. Ravindra Pandey, The University of Texas at Austin, USA Probing Structure and Dynamics at Complex Interfaces Dr. Ayanjeet Ghosh, University of Illinois, Urbana-Champaign Multidimensional infrared spectroscopy: from protein structural dynamics to molecular imaging Dr. Debashree Ghosh, NCL Pune Understanding electron transfer processes in complex environments - Hybrid QM/EFP approach Prof. Pratim Chattaraj, IIT Kharagpur Aromaticity and Conceptual DFT Dr. Rajarshi Chakrabarti, IIT Bombay Tracer Diffusion in a sea of polymers with binding zones: mobile vs frozen traps Dr. Sandip Kar, IIT Bombay Deciphering the dynamical origin of mixed populations during neural stem cell development Dr. Pallavi Bhattacharyya, Cornell University Energy transport, spectroscopy and diffusion Prof. Madhav Ranganathan, IIT Kanpur, Atomistic and Continuum modeling of Ge/Si heteroepitaxial growth Dr. Padmabati Mondal, Department of Chemistry, University of Ab initio study of Jahn-Teller and spin orbit coupling effects in Bessel transition metal trifluorides Prof. A. J. C. Varandas, Departamento de Química, Universidade On the Born-Oppenheimer Approximation: Implications, de Coimbra Generalizations, Related Issues ANNUAL REPORT 2016-2017 145

Name and organization of the Speaker Title of the Lecture Dr. Mukta Tripathy, IIT Bombay Phase Behavior of Two Soft Matter Systems: Polymer-Nanorod Composites and Mixtures of Hard and Soft Particles Professor Federic Lamaty, University of Montpellier, France Mechanochemistry and its applications: from organic and peptide synthesis to catalysis Professor Janine Cossy, ESPCI, Paris Tech, CNRS, France Synthesis of Heterocycles by Cyclizations and Functionalizations Dr Subash C Jonnalagadda, Department of Chemistry and Development of Novel Boron Based Small Molecules as Potential Biochemistry Rowan University, 201 Mullica Hill Road, Glassboro, Anti-Cancer Agents NJ Dr Jaideep Saha, Chemistry Research Laboratory, Division of Synthetic methods enabling biological studies: A journey from the Organic Chemistry, University of Oxford. UK synthesis of ring-expanded carbohydrates, phosphine catalysis to development of bio-reductive pro-drugs for cancer Professor Christophe Len, Université de Technologie de Water as green solvent for the synthesis of added-value chemicals Compiègne – UTC, Centre de RechercheRoyallieu, 60200 Compiègne, France Professor Virinder S. Parmar, Professor of Organic Chemistry & Natural products-inspired discovery and development of anti- Head of University of Delhi microbial, anti-inflammatory and antiplatelet agents Dr. J. S. Yadav, Indian Institute of Chemical Technology, Hyderabad NOVEL SYNTHETIC ROUTES TO NATURAL PRODUCTS Dr.Gautam Panda, Medicinal and Process Chemistry Division, Amino Acids: Towards Alkaloids and Steroidomimetics in Quest CSIR-Central Drug Research Institute for Anticancer Agents Dr Amit Kumar Chattopadhyay, University de Montreal, Montreal, Natural product synthesis-A long journey Quebec, Canada Dr.Chinmoy Kumar Hazra, Korea Advanced Institute of Science Exploring New Facets of Organic Synthesis: From Metal to Metal- and Technology in the Department of Organic Chemistry Free Catalysis Professor Yujiro Hayashi, Department of Chemistry, Graduate Pot Economy and Time Economy in the Synthesis of Biologically School of Science, Tohoku University, Japan Active Molecules Dr. Vishnumaya Bisai Asymmetric Catalysis: Exploring New Avenues to Generic Modes of Activations Dr. Subrata Chattopadhyay, UGent Centre of Macromolecular Precise design of functional polymers and materials via robust Chemistry: Ghent University, on 27th September, 2016 efficient reactions Professor S. Ramasesha, Indian Institute of Science, Bangalore Magnetism in Fused Carbon Ring Systems Dr. Achintya Kumar Dutta, Max Plank Institute for Chemical Energy Towards a lower scaling coupled cluster method for excited states Conversion, Germany Professor R. B. Sunoj, Indian Institute of Technology, Mumbai Transition State Models in Asymmetric Catalysis: Molecular Insights for Rational Catalyst Design Dr. Avijit Shee from IRSAMC, Universite Paul Sabatier, Toulouse, Relativistic Coupled-Cluster Theory for the Calculation of Excited France State Energy and Molecular Properties Dr. Md. Mehboob Alan , Universite de Strasbourg, France Ghost Interaction Correction in Ensemble Density Functional Theory Dr. Rajarshi Guha from Center for Advancing Translational Shining Light on the Druggable Genome Science, National Institutes of Health, Bethesda, USA Dr. Anupam Basu, Department of English, Washington University How to Do Things With a Billion Words: Linguistic Change and in Saint Louis Historical Stylometrics Dr. Megumi Akai-Kasaya, Graduate School of Engineering, Osaka Investigation on Single Walled Carbon Nanotube-based Stochastic University Resonance Device with Molecular Noise Dr. Makoto Tominaga, JSPS fellow Yamaguchi University Reversible fluorescent color change of dyes intercalated in a synthetic saponite Prof. Jun Kawamata, Professor Yamaguchi University Fiber laser excitable fluorescent compounds for multi-photon imaging Professor Swapan Pati, JNCASR Optical and electronic properties of low-dimensional systems Prof. Biman Bagchi, SSCU Protein Folding Models Dr. Debashis Manda, Wiezmann Institute Tunneling effects in chemistry Kashinath Das, HRI, Allahabad New signals for vector-like down type quark in U(1) of E6 Kabir Chakravarti, IUCAA, Pune Testing the performance of phenomenological waveform models in characterizing NS-BH binaries Amit Dutta, Dept. of Physics, I.I.T Kanpur Non-equilibrium dynamics and dynamical phase transitions of the topological Haldane model Alok Laddha, Chennai Mathematical Institute, Chennai Lecture series: New symmetries of Quantum Gravity S matrix. Hints from the Infra-red. Ranjan Laha, Kavli Institute for Particle Astrophyiscs and Two new avenues in dark matter indirect detection Cosmology, Stanford University and SLAC National Accelerator Laboratory, USA 146 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Name and organization of the Speaker Title of the Lecture Mahan Mj, Department of Mathematics, TIFR, Mumbai Hyperbolic Geometry and Chaos in the Complex Plane Arnab Kundu, SINP, Kolkata The SYK Model and Black Hole Physics: A Preliminary Introduction (Lecture-2) Debanjan Bose, Sung Kyun Kwan University, South Korea IceCube Neutrino Observatory : Past, Present & Future Naresh Dadhich, IUCAA, Pune Departmental Colloquium on General Relativity after 100 years: a matter of perspective Arnab Kundu, SINP, Kolkata The SYK Model and Black Hole Physics: A Preliminary Introduction (Lecture-1) Siddhartha Sen, Trinity College, Dublin, Ireland Paedogological Lectures on Introduction to some ideas of geometry & topology Nilendra Deshpande, Institute of Theoretical Science, University Anomalous Semileptonic B Decays and New Flavor Physics of Oregon, USA Biswarup Mukhopadhyaya, HRI, Allahabad Some ususual dark matter scenarios Dileep Jatkar, HRI, Allahabad Exact WKB analysis of Omega deformed Seiberg-Witten theory Aradhita Chattopadhyaya, CHEP, I.I.Sc., Bangalore N=2 heterotic string compactifications on orbifolds of K3×T Saikat Banerjee, Nordic Institute of Theoretical Physics, Nordita, Magnons in a honeycomb ferromagnet Sweden Deepak Kar, University of Witwatersrand, South Africa Not a jet all the way: discovery prospects using substructure Jay Deep Sau, Joint Quantum Institute and Condensed Matter Parafermions in atomic gases and the solid state quantum Hall Theory Center, University of Maryland, USA state without superconducting back-scattering Amit Agarwal, I.I.T., Kanpur Nonlinear optical conductivity and photoconductivity of two-band systems beyond the linear response regime Mehedi Masud, HRI, Allahabad Impact of nonstandard neutrino interaction in propagation on leptonic CP violation and neutrino mass hierarchy ambiguity Sudipta Sarkar, Dept. of Physics, I.I.T., Gandhinagar Holography,second law and Higher Curvature Gravity Kedar Damle, T.I.F.R., Mumbai Vacancy-induced low-energy states in undoped graphene Pritibhajan Byakti, Department of Theoretical Physics, I.A.C.S A closer look at the RD and RD* anomalies Ajit Srivastava, Institute of Physics, Bhubaneswar From the universe to relativistic heavy-ion collisions: CMBR fluctuations and flow anisotropies Avirup Shaw, Department of Theoretical Physics, I.A.C.S. Exploring the extended scalar sector with resonances in vector boson scattering Victor Mukherjee, Weizmann Institute of Science, Israel Speed limits in quantum heat engines Apoorva Patel, I.I.Sc., Bangalore Weak Measurements, Quantum State Collapse and the Born Rule P.K. Mohanty, S.I.N.P., Kolkata Zeroth law in non-equilibrium - a hot needle in water R.Ganesh, I.M.Sc., Chennai Generating RVB states in cavity-QED experiments G Baskaran, I.M.Sc., Chennai Majorana Fermi Sea in the insulating Samarium Hexaboride Najimuddin Khan, IIT, Indore Metastability bounds on Dark Matter Models Subhro Bhattacharjee, ICTS, Bangalore Symmetry protected topological phases Ipsita Saha, Department of Theoretical Physics, I.A.C.S, Open Thesis Colloquium: The Study Of The Physics Beyond The SM At The LHC In The Light Of Dark Matter Searches Arindam Das, University of Alabama, USA Collider Phenomenology of the Heavy Neutrinos Sachin Jain, Cornell University, USA Causality constraint in Conformal field theory K. Rajibul Islam, MIT-Harvard Center for Ultracold Atoms, MIT, Measuring entanglement entropy USA Souvik Banerjee, University of Groningen, Netherlands A Toy Model of Black Hole Complementarity Avinanda Chaudhuri, HRI, Allahabad Seesaw scenarios: Some phenomenological implications Kuver Sinha, Syracuse University, USA Whither Thermal Freeze-out? Dark Matter and the Thermal History of the Universe Sumanta Chakraborty, IUCAA, Pune Gravity and Thermodynamics: The Importance of Being Null Yury M. Shukrinov, Bogoliubov Laboratory of Theoretical Physics, Josephson Nanostructures under External Electromagnetic Joint Institute for Nuclear Research and Dubna University, Dubna, Radiation Moscow Region, Russia ANNUAL REPORT 2016-2017 147 Meeting/Conference held in the Departments

Name of the Conference/ Symposia-Convener Duration Funding Authority Departmental Symposium on Contemporary Biochemistry and March 10, 2017 IACS Biophysics 5th SABIC January 07-11 Private Sponsors, DST-SERB, TIFR- Mumbai, IISER-Kolkata Inorganic Chemistry Department Day Symposium March 07-08 IACS Workshop on Physics and Chemistry of Materials 17th to 18th, February 2017 Department of Materials science, IACS Meeting with Deputy Consulate General of Germany 26 April 2016 IACS Mr. Reinhold Krickl Conference/Symposia-Convener Recent Advances in Many-Electron Theories, 2017 February 9 – 12, 2017 Registration Fee Co-Convener – Prof. Satrajit Adhikari One Day Physical Chemistry Symposium 7th February, 2017 Physical Chemistry Department Convener – Prof. Satrajit Adhikari Discussion meeting on supramolecular and polymer assembly 05.01.2017 Research Grant of Suhrit Ghosh from IACS Workshop Optomechanics, Orbital IACS Professor Bimalendu Deb Angular Momentum & Spin-Orbit Interactions of Light Recent Trends in Condensed Matter Physics: Experiment and March 3 - 4, 2017 IACS Theory; HOD, Department of Solid State 8-th IACS-APCTP-KIAS Joint Conference on Emergent Dec 15 – 17 (2016) APCTP, Pohang Korea, KIAS, Seuol Phenomena in Novel Oxide Materials and Low Dimensional Korea, IACS, Kolkata Systems : Prof. I Dasgupta & Prof. Jaejun Yu (Convenors) International Conference on “Statphys Kolkata IX”- A Das December 13-16, 2016 IACS, SINP, Univ. of Calcutta, Humboldt Foundation, Germany Conference on ‘Recent trends in Condensed Matter and High January 30 – February 1, IACS Energy Physics’ – K Sengupta and D K Ghosh 2017 7th Topical Conference on ‘Gravitation, Cosmology and March 25, 2017 IACS Astrophysics (TCGCA)’ – S SenGupta 148 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA Colloquium Lecture Series Physical Science Title of the Lecture Speaker with affiliation Statistical Mechanics of Black Holes Prof. Suresh Govindarajan, IIT, Madras Melting of the vortex lattice in a Type II superconductor : A strong Prof. Pratap Roy Chowdhury, TIFR, Mumbai form images New prospects for room temperature superconductivity : Molcular Professor G. Baskaran, I.M.Sc and Perimeter Institute solids under high pressure The Messiah of Masses…. An Answer that become questions Professor Biswaroop Mukhopadhyay, HRI, Allhabad Reconstructing the Higgs Potential Professor P N Pandita, CHEP, IISc, Bangalore Investigating Cosmic string theories with Liquid Crystal Professor A Srivastava, IOP, Bhubaneswar Experiments Revisiting the theory of melting three-sublattice order Professor Kedar Damle, TIFR, Mumbai Levitated Optomechanics : Phonon cooling, bistability and lasing Professor M Bhattacharya, Rochester Institute of Technology, USA Presence of Matter in the Universe – An Unresolved Puzzle Professor N G Deshpande, University of Orgeon, USA Exploiting Shape-sensitive Interactions in Colloidal Suspensions – Professor Rajesh Ganapathy, JNCASR, Bangalore From Directed Self-assembly to Structural Glasses Dynamics of closed quantum systems Professor Amit Dutta, IIT, Kanpur Chemical Science Title of the Lecture Speaker with affiliation Electronically Excited Molecules in Ionic Liquids Professor Anunay Samanta, School of Chemistry, University of Hyderabad Functional p-Systems, Assemblies, Gels and More Dr. A Ajayaghosh, NIIST, Trivandrum Synthesis and Reactivity of Metal-Coordinated Ligand Radicals Professor R N Mukherjee, Department of Chemical Sciences, IISER-Kolkata Protin Folding-Unfolding Dynamics and Hydrophobic Force Law Professor Biman Bagchi, IISc, Bangalore Molecular Magnets : A Chemist’s Perspective Abstract Professor V Chandrasekhar, NISER, Bhupaneswar Designing Materials Abstract Professor A K Ganguli, INST, Mohali Professor S Narasimhan, JNCASR Random Walks in Polymer Science Professor S Ramakrishnan, IISc, Bangalore Electron Catalysis Professor Armido Studor, Westfalische Wilhelms-Universitat, Germany Solving Mysteries a la Sherlock Holmes and Chasing an Elusive Professor A G Samuelson, IISc, Bangalore Bond : Case Studies from our Laboratory Biological Sciences Title of the Lecture Speaker with affiliation Genome indexing by histone H3 variants in a single-celled species Dr. Kaustuv Sanyal, Molecular Mycology Laboratory, Mol Biol & Gen Unit, JNCASR, Bangalore Quiescence and stem cell function-how does a dormant cell Dr. Jyotsna Dhawan, CSIR Center for Cellular & Molecular Biology, contribute to tissue repair? Hyderabad, & Institute for Stem Cell Biology & Regenerative Medicine, Bangalore Source and consequences of biological diversity: lessons from the Dr. Satyajit Rath, National Institute of Immunology, New Delhi, India immune system Fine Tuning Gene Expression in Physiology and Pathophysiology: Dr. Tapas Kundu, JNCSR, Bangaluru Implications in Therapeutics Local biochemical problems and non-local solutions in biological Prof. B J Rao, TIFR, Mumbai designs: some of our recent take-homes Molecular Insights into Meiotic Chromosome Synapsis from Single Prof. K. Muniyappa, IISc Bangalore Molecule Analysis Second Messengers (p)ppGppand Cyclic di-GMP mediated Prof. Dipankar Chatterjee, MBU, IISc., Bangalore regulation of Cell Shape, Cell Division and Antibiotic Sensitivity in Mycobacterium smegmatis ANNUAL REPORT 2016-2017 149 Patents Filed/Awarded

Sl. Patent Application/ Title of the Patent Application Name of the Inventor Date of No. Awarded no. and date Submission of the Application 1. IN 2015CH03696 A Optical nanosensor for early stage detection of Prof. Santanu Bhattacharya, 2017 20170120 bactocera oleae infestation Director’s Research Unit

2. IN 2014CH05166 A Surface functionalization for sensing of volatile Prof. Santanu Bhattacharya, 2016 20160701 organic carbonyl compounds Director’s Research Unit 3. IN 2014CH05201 A A pheromone detector Prof. Santanu Bhattacharya, 2016 20160701 Director’s Research Unit 4. WO 2016059641 A1 A pheromone detector Prof. Santanu Bhattacharya, 2016 20160421 Director’s Research Unit

5. Application number 2016 Nanogels, methods and devices thereof, for Prof. Santanu Bhattacharya, 2016 41024309 managing Holtrichia Consanguinea Director’s Research Unit 6. PCT/IN2017/050025 Forecasting of pest incidence : A unique Prof. Santanu Bhattacharya, 2017 (European Patent) surface functionalized template for the Director’s Research Unit selective detection of pheromone of the Olive Fuit Fly, Bactocera oleae 7. TIFAC has forwarded Solution processed freestanding tow- Dr. Somobrata Acharya, February 2017 the application to ITAG dimensional Ultrathin BinaryPbS nanocrystals CAM Business Solutions Ltd. for for efficient and highly stable dielectric final submission before the applications Indian Patent Office 8. E-2/10/2017/KOL Method for instantaneous 2-line Ferrihydrite Dr. Sugata Ray, Mat. 16th January, synthesis using layered hydroxide pathway Science 2017 9. 201631028078 Nanoparticle formulation for complete Prof. N R Jana CAM 16.01.2017 inhibition of amyloid fibrillation and dissolution of amyloid fibril 10 201631037420 MMTr-protected H-phosphonate morpholine Prof. Surajit Sinha, Org. 02.11.2016 monomers of A,G,C,T nucleobases and Chemistry morpholino oligonucleo-tides attained thereof 11. Application sent to TIFAC Inhibition of hedgehog signaling pathway by Prof. Surajit Sinha, Org. 2017 for processing nonanolide analogues in cancer therapy Chemistry 12. PCT/IN2016/000150 Oligo-Guanidines based cellular transporter Prof. Surajit Sinha, Org. 10.06.2016 comprising heterocyclic rings with hydrophobic Chemistry and/or lipophilic groups at N-terminal for effective delivery of nonpenetrable cargos in- vitro and in-vivo 13. TIFAC has forwarded Peptidomimetic Ligands Regulate Gene Dr. Jyotirmayee Dash, Org. 17.01.2017 the application to Mr. Expression by Stabilizing DNA Secondary Chemistry S Majumdar on 17th Strctures January, 2017 for final submission before the Indian Patent Office 14. Application sent to TIFAC Diguanosine derivatives as synthetic Dr. Jyotirmayee Dash, Org. 2016 for processing membrane channels for drug delivery Chemistry applications 15. Application sent to TIFAC Synthesis of Thiazole Polyamides as Dr. Jyotirmayee Dash, Org. 2016 for processing G-Quadruplex Binding e-MYC inhibitors Chemistry 16. Application sent to TIFAC Fluorescent Binaphthyl amines Repress Dr. Jyotirmayee Dash, Org. 2016 for processing c-MYC Expression by Stabilizing c-MYC Chemistry G-quaduplex DNA 17. Application sent to TIFAC Synthesis and catalytic applications of a Dr. Jyotirmayee Dash, Org. 2016 for processing guanosine hydrogel in detection of toxic Lead Chemistry ions 18. Application sent to TIFAC Azide-alkyne cylcoadditions using a Dr. Jyotirmayee Dash, Org. 2017 for processing G-quadruplex nano-template: Development of Chemistry novel G-quadroplex binding ligands 150 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA Inter-Institutional Collaboration

• Japan-India Collaborative Research Projects in Molecular Science with Institute for Molecular Science (IMS), Japan. • National Institute of Natural Sciences (NINS), Japan. • SERIIUS (Solar Energy Research Institute for India and the United States); Solar Energy Centre and MNRE. • IACS-BARC collaboration (IBIQuS) on Quantum Structure Research. • TWAS-IACS Postdoctoral Fellowship Programme. • Nodal institute for India in APCTP. • Private Collaborative Research Project with Unilever Research Centre, Bangalore. • Research agreement between IACS-TATA Steel Ltd. • Collaborative Research Project with Unilever Industries Pvt. Ltd., Mumbai. • Collaborative Research between IACS and Dystrophy Annihilation Research Trust, Bangalore. • Collaborative Research between IACS and CSIR-IICB Kolkata. • Integrated M.Sc. Ph.D. programme in Chemical Science between IACS and University of Calcutta. • Integrated M.Sc. Ph. D. programme in Biological Sciences between IACS and IIT-Kharagpur. • Integrated M.Sc. Ph.D. programme in Physical Science between IACS and Jadavpur University. • Co-Publishing Agreement between IACS and Springer (India) Pvt. Ltd. Ph.D. (Science) Degree Awarded and Other Academic Activities 152 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA Doctorates from the Institute during 2016-17

Sl. Name of the Supervisor Title of the Thesis University No. Scholar Biological Chemistry 01. Abhishek Baral A Banerjee Peptide Based Biomaterials: Hydrogels and Peptide Stabilized Jadavpur Nanoclusters University 02. Moumita Ghosh P K Das Design and Development of Novel Self - Assembled Jadavpur Nanocomposites : Applications in Biocatalysis and Biomedicine University 03. Deep Mandal P K Das Design and Development of Functional Nanocomposites for Jadavpur Biochemical Application University Centre for Advanced Material 04. Atanu Chakraborty N R Jana Functionalization of Nanoparticles and their Application as Cellular Jadavpur and Subcellular Imaging Probe University 05. Subrata Maji S Acharya Functional Multi-Scale Pressure Induced Assemblies of Calcutta University Nanomaterials at Two-Dimensional Interface Director’s Research Unit 06. Parikshit Moitra S Bhattacharya Synthesis and Characterization of Novel Materals for Efficacious Indian Institute of Anticancer Drug Delivery and Selective Sensing of Bioanalytes Science 07. Bappa Maiti S Bhattacharya Evolution of New Lipics and Molecular Gelators : Syntheses, Indian Institute of Aggregation Propertries and Applications Science Energy Research Unit 08. Debjit Kar D Das Silicon Nanocrystals, Quantum Dots and Superlattice Structures: Calcutta University Synthesis at Low Temperature, Characterization and Optimization for Device Applications Inorganic Chemistry 09. Ipsita Chatterjee S Goswami Studies of Transition Metal Complexes Involving Azoaromatics. Jadavpur Synthesis, Structrure Properties Correlation University 10. Debabrata S Goswami Ligand Controlled Catalytic Reactions Using d8-Metal Complexes Jadavpur Sengupta of Azo-Aromatics University 11. Debobrata Sheet T K Paine Nonheme Iron Complexes for Bioinspired Oxidations with Jadavpur Dioxygen:Enhanced Reactivity through Immobilization on University Functionalized Gold Nanoparticles 12. Kushal Sengupta A Dey Bio-inspired Electrodes : Surface Enhanced Raman Spectroscopy Calcutta University and Reactivity

13. Kustuv Mitra A Dey Intermediates involved in O2 activation by iron porphyrin catalysts: Calcutta University Role of hydrogen and axial ligation 14. Sudipta Chatterjee A Dey Mechanistic Investigation of Heterogeneous Catalytic Systems: Calcutta University Relevant to Renewable Energy 15. Satirtha Sengupta R Mondal Studies on Metal-Organic Frameworks And Metallogels of Pyrazole Calcutta University Based Ligands and Their Amide Derivatives 16. Arijit Goswami R Mondal Studies on Coordination Complexes, Metal Organic Frameworks Calcutta University (MOFs) and Supramolecular Networks Using Salicylic Acid Derivatives and Pyrazole Based Ligands 17. Sukhen Bala R Mondal Studies of Multi-Functional Metal-Organic Frameworks and Calcutta University Complexes Using Polycarboxylic Acids and Pyrazole Based Ligands Material Science ANNUAL REPORT 2016-2017 153

Sl. Name of the Supervisor Title of the Thesis University No. Scholar 18. Debolina Das B N Dev The structural and morphological aspects of ultrathin layers and Jadavpur nanostructures grown by molecular beam epitaxy University 19. S K Kundu A Bhaumik Designing functionalized porous materials for adsorption, gas Jadavpur storage and liquid phase catalytic reactions University 20. R Gomes A Bhaumik Organic and organic-inorganic hybrid functionalized porous Jadavpur materials for adsorption, sensing and eco-friendly catalysis University 21. Sumit Mandal S K Saha Spin polarized charge transport in graphene using magnetic impurity Jadavpur University 22. Abu Jahid Akhtar S K Saha Intercalated graphene based composites for multifunctional Jadavpur applications University 23. Abhisek Gupta S K Saha Synthesis and characterization of new luminescent materials Jadavpur University 24. Bikash Kumar S K Saha Magneto-transport and magneto-dielectric effects in charge transfer Jadavpur Shaw metal organic frameworks University 25. Biplab Kumar N Pradhan Heteroepitaxial relations, crystal growth, photo physical/ Jadavpur Patra electrochemical properties of different semiconductor and metal- University semiconductor heteronanostructures 26. Amit Kumar Guria N Pradhan Understanding of crystal growth and designing of dimension Jadavpur controlled inorganic nanomaterials directing new photophysical and University materials properties. Organic Chemistry 27. Shirshendu S C Roy Synthetic Studies towards Natural Products and Related Jadavpur Mukherjee Compounds University 28. Sumi Ganguly P S Dastidar Developing Functional Coordination Polymer and Complexes: A Calcutta University Crystal Engineering Approach 29. Rajdip Roy P S Dastidar Developing Molecular Gels for Biomedical Applications Jadavpur University 30. Y Pavan Kumar J Dash Guanosine Derivatives for the Selective G-quadruplex Recognition IISER-Kolkata and Synthetic Ion Channel Formation 31. Ajay Chauhan J Dash Design and synthesis of G-quadruplex DNA binding ligands using IISER-Kolkata Click Chemistry 32. Sayantan Das R K Goswami Stereoselective Total Synthesis of Natural Products Calcaripeptides, Jadavpur Ieodomycins and Studies Directed Towards the Synthesis of University Macrolides Biselyngbyasides and Aculeximycin 33. Tapan Kr Kuilya R K Goswami Synthetic Studies on Bioactive Natural Products Carolacton, Jadavpur Strevertenes A & G, Pterocidin, 14-O-Demethyl-pterocidin and University Cananginones D-I Physical Chemistry 34. Rajdeep K Bhattacharyya Application of Fluorescence Correlation Spectroscopy and Jadavpur Chowdhury Femtosecond Upconversion to study Biological Asssemblies University 35. Shyamtanu K Bhattacharyya Study of Dynamics in Biological systems by timr resolved Jadavpur Chattoraj spectroscopy and microscopy University 36. Shreetama T Chakraborty Fluorescence spectroscopy probing of some excited state processes Calcutta University Karmakar in selected doubly hydrogen bonded molecular complexes under cryogenic conditions 37. Pujarini Banerjee T Chakraborty Matrix Isolation IR Spectroscopy of Selected Binary H-bonded Calcutta University Complexes: Readdressing the Origin of Spectral Shifting Effects in H-Bonding 38. Saikat Mukherjee S Adhikari Beyond Born-Oppenheimer Theories: Spectroscopic and Scattering Calcutta University Processes Polymer Science Unit 154 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Sl. Name of the Supervisor Title of the Thesis University No. Scholar 39. Atanu Kuila A K Nandi Synthesis and properties of hydrophilic polymer grafted poly Jadavpur (vinylidene fluoride) University 40. Sanjoy Mondal S Malik Facile Preparation of Polyaniline Nanocomposites and their Jadavpur Applications University 41. Manas Kumar S Malik Fluorene Based Copolymers and Their Application Jadavpur Bera University 42. Tathagata Mandal S Ghosh Folding and Assembly of Functional Plyurethane Jadavpur University Raman Centre for Atomic, Molecular and Optical Sciences 43. Rik S K Bhadra Study of Visible to Mid-infrared plasmonics for nonlinear field Calcutta University Chattopadhyay confinement, amplification and extraordinary optical transmission in guided medium 44. Ambar Banerjee A Paul Probing aromaticity in intermediate and transition states along non- Calcutta University traditional reaction paths. Solid State Physics 45. Sayan Das A Ghosh Ion dynamics and relaxation in some composite electrolytes Jadavpur University 46. Abhijit Bera A J Pal Rectifiers formed between Organic and Inorganic Semiconductors: Jadavpur Characterization by Scanning Tunneling Spectroscopy University 47. Md. Golam Masud S Giri Dielectric Spectroscopy and Other Studies of Some Transition Calcutta University Metal Oxides 48. Arijit Ghosh S Giri Structural, Dielectric and Magnetic Properties of Some Promising Jadavpur Multiferroic Oxides University 49. Koushik Dey S Giri Experimental Investigations on Multiferroic Materials Jadavpur University 50. Sabyasachi S Majumdar Magnetic properties of transition metal based intermetallic alloys Jadavpur Pramanick University Spectroscopy 51. A Nijamudheen A Datta Computational Study of Clusters and Materials for Optical and Jadavpur Catalytic Applications University Theoretical Physics 52. Manimala U Implications of Supersymmetry on dark matter, precision tests and Jadavpur Chakraborti Chattopadhyay collider experiments University 53. Sabyasachi S Roy Some aspects of the phenomenology of supersymmetric theories Calcutta University Chakraborty and the Large Hadron Collider 54. Sourav Mondal P Majumdar Improved Methods For Yang-Mills Spectrum Calcutta University 55. Ipsita Saha D K Ghosh The Study of The Physics Beyond The SM At The LHC In The Light Calcutta University Of Dark Matter Searches 56. Sanga Mitra J Chakrabarti Computational genomics and miRNomics of Cancer: Database Jadavpur and C Sinha development and Network & Biophysical Pathway Analysis of Head, University Neck and Oral Cancer 57. Suman Ghosal J Chakrabarti Parameters involved in protein coding, long noncoding and circular Jadavpur and P Basak RNA target regulation by miRNAs and their impact on diseases in University (JU) human 58. Shaoli Das J Chakrabarti Computational identification of small RNA targets on protein coding Jadavpur and P Basak and long noncoding RNAs University (JU) ANNUAL REPORT 2016-2017 155

Indian Journal of Physics

Indian Journal of Physics is a pioneering journal founded by Sir C V Raman in 1926, devoted to the publication of significant, original and current scientific research results with ISSN is 0973-1458. It is the official publication of the Proceedings of Indian Association for the Cultivation of Science. Starting from January 2009, Indian Journal of Physics is being published in collaboration with Springer (www. springer.com/12648). Springer also distributes the print version of the Journal since January 2013. In 2016 (January - December) total 1066 No. of papers have been submitted by authors in online Editorial Manager System. During this period 12 issues of Vol. 90 have been published that contain 171 Nos. of research articles. Impact Factor for 2014 is 1.166. We have received Rs. 34, 75, 959-00 as income on A/c. of IJP (from M/s. Springer India Pvt. Ltd. for Volume 89, No. 1 - 12, January to December 2015). Acceptance rate of submitted articles for 2015 is 24.7%.

Milestone: Editors’ Choice articles have been introduced that are freely accessible to all for a certain period of time.

Scope Astrophysics, Atmospheric & Space Physics / Atomic & Molecular Physics/ Biophysics/ Condensed Matter & Material Physics / General & Interdisciplinary Physics / Nonlinear Dynamics & Complex Systems / Nuclear Physics / Optics & Spectroscopy / Particle Physics / Plasma Physics / Relativity & Cosmology / Statistical Physics

Abstract / Index Service Other than Springer, this journal is abstracted /indexed in: Web of Science, SCOPUS, INSPEC, Chemical Abstracts Service (CAS), Google Scholar, Academic OneFile, Indian Science Abstracts, INIS Atomindex, INSPIRE, International Bibliography of Book Reviews (IBR), International Bibliography of Periodical Literature (IBZ), OCLC, SCImago, and Summon by Serial Solutions.

Editor-in-Chief and Honorary Secretary Professor S Majumdar

Lectures/Meetings/Conference/Workshop attended by the Staff : Dr. S. Deoghuria : 12th International Conference on Webometrics, Informetrics (WIS) and 17th Collnet Meeting, INIST, Nancy, France. 156 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA Outreach Programme for the year 2016-17

1) IACS celebrated its Foundation Day on 29th July, 2016 in a befitting manner. A Celebration Committee comprising of faculty, non-faculty, and scholars was formed to design and organize the celebration programme involving all sections of people. Local school students were also invited to join the celebration programme and a good number of school students along with their teachers attended the programme. The programme started with a Popular Lecture on “Evolution of Science Research & Education in India” by Professor Santanu Bhattacharya, Director, IACS. This was followed by Popular Lecture on “Playing with Salts” by Professor Parthasarathi Dastidar; Demonstration of “Chemistry of the Living System” by Dr. Soumi Guha Polley, Lady Brabourne College, Kolkata and Popular Lecture on “Genomics : Enabler of Precision Medicine for Cancer” by Professor Partha Pratim Majumder, Director, NIBMG, Kalyani. There was a Poster Session and a Photograph/Art Exhibition. The programme concluded with Award Giving Ceremony for awarding the Best Poster, the Best Photograph/Art in the exhibition; and also for ‘Excellence in Service & Support Award’ to Non-faculty staff members.

2) Organized visit to some of Chemistry Laboratories by a team of 37 B.Sc. (Chemistry Major) Female Students and 4 Teachers of Handique Girls’ College, Guwahati and 14 Female Students, 16 Male Students and 2 Teachers of D K College, Kamrup, Assam on 6th January, 2017. The visiting programme included Introductory Lectures, Welcome Address by Professor Santanu Bhattacharya, Director, IACS and Address by Prof. Alok K Mukherjee, Vice President, Management Committee followed by Video Show on IACS. There was Scientific Demonstration and Visit to the following Chemistry Laboratories in Group: NMR Facility, Single Crystal Facility, Glove Box, Workshop – Glass Blowing Section, Liquid Nitrogen, SEM Facility, Raman Spectrometer, Mass Spectrometer, Synthesis Laboratory. There were refreshment and photograph sessions. Feedback was taken from the participants where they expressed their utmost satisfaction for having opportunity to visit such premier research Institute in India like IACS. ANNUAL REPORT 2016-2017 157

3) Organized visit of Chemistry Laboratories by a team of 8 M. Sc. Female Students and 8 Male Students and 1 Faculty Member of Mizoram University, Aizawl, Mizoram, on 25th January, 2017. After welcoming the students, visit of the Chemistry Laboratories in Group was organized for them. There were refreshment and photograph sessions. Feedback was also obtained from the participants, which indicates that such programme inspires students to pursue higher studies in science in their careers.

4) In pursuance of the directives of the Department of Science and Technology, Government of India, IACS celebrated the National Science Day 2017 in a befitting way. A Committee was formed to oversee organizing the event in two days – 27th and 28th February, 2017 on the theme – “Science and Technology for specially abled persons”, as selected by the DST, Government of India for the National Science Day 2017. The celebration programme offered an opportunity for having discussion and interaction focused on a common issue of interest and consolidated suitable actions that might be taken. The societal component of IACS was involved in celebration of National Science Day 2017. The programme was inaugurated by Professor Santanu Bhattacharya, Director, IACS followed by series of Lectures. The 27th February, 2017, the programme was primarily designed for college students and around 400 students from various Colleges in and around Kolkata, including students from Presidency University and West Bengal State University attended the whole day programme. For 28th February, 2017 the programme was for school students and around 350 school students in and around Kolkata attended the programme. Students and their accompanying teachers/faculty members were provided with IACS Information Brochure, Stationeries, and Caps having IACS Logo and marking ‘National Science Day 2017’. Arrangement for refreshment and working lunch was also there for both the days. The programme on February 27 included Welcome Address by Professor Santanu Bhattacharya, Director, Lecture on “What is Hyperbolic Geometry” by Professor Mahan Maharaj, TIFR Mumbai, Lecture on “Story of Neutrino” by Professor Naba K Mandal, SINP Kolkata, Lecture on “Ganit, Bigyaner Bhasa” (Lecture in Bengali) by Professor Koushik Ray, IACS Kolkata and Laboratory Visits at IACS by College Students. On February 28, 2017, the programme started with the Welcome Address by Professor Santanu Bhattacharya, Director, followed by Lecture on “Game Theory in Biology and Chemistry: by Professor Anjan Dasgupta, CU Kolkata. Asutosh Mookherjee Best Thesis Award was conferred to Dr. Sayanti Chatterjee. The programme concluded with Live Experimental Demonstrations on Physics by Dr. Bhupati Chakrabarti & Team, on Chemistry by Dr. Arindam Rana and Team and on Biology by Dr. Deepak K Sinha and Dr. Prasenjit Sen. The programme was extensively attended by a large number of attendees inside and outside IACS with great enthusiasm. 158 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA Activity Pertaining to Popularization of Science Summer School

IACS organizes Summer School programme on basic sciences for school leaving students every year to attract bright students in the field of study and research in basic sciences. Department of Theoretical Physics took the leading role in organizing the “XVIIIth IACS Summer School on Basics Sciences”, during May 20 – June 3, 2016. Coordinators : Soumitra SenGupta and Koushik Ray, Dept. of Theoretical Physics, IACS. • S SenGupta gave a eight-lecture course on “Quantum Mechanics” for the school leaving students in the IACS Summer School on Basic Sciences. • K Ray gave a four-lecture course on “Mathematical Physics” for the school leaving students in the IACS Summer School on Basic Sciences. • S Roy gave a two-lecture course on “Particle Physics” for the school leaving students in the IACS Summer School on Basic Sciences. • K Sengupta gave a two-lecture course on “Quantum Mechanics” for the school leaving students in the IACS Summer School on Basic Sciences. ANNUAL REPORT 2016-2017 159 Lecture & Article for Science Popularization

• Drive and Curiosity Fuel in Passion for Science a NIT Sikkim by • “Quantum Physics and Nanoscience”, G.P. Das, Bethun Dr. S S Jana. College, Kolkata & Bhowanipur Educational Society, Kolkata. • On Recent Trends in Life Science at Department of Life Science • “Nano-Science & Technology: Promises, Expectations and & Biotechnology, Jadavpur University by Dr. S S Jana. Challenges”, G.P. Das, BITM Kolkata, Centre for Interdisciplinary Research & Education (CIRE). • Prof. T. Chakraborty - Organizing National Science Day in IACS, Feb 27-28th, 2017 • “Half a Century of Density Functional Theory and its role in materials simulation”, G.P. Das in C.K. Majumdar Memorial • “Wonders of Graphene and its Genomic Applications”, G.P. Das, Summer Workshop, (May 2016). St. Xaviers College, Kolkata, Interdisciplinary Seminar under the STAR College Scheme of Dept of Bio Technology.

Post-B.Sc. Integrated Ph.D. Programme in Chemical Sciences (IntPCS)

In an effort to foster academic cooperation between Research Prof. Deb Shankar Ray, Prof. Tapas Chakraborty, Prof. Satrajit Institute and Universities, IACS has been conducting a Post-B.Sc Adhikari, Dr. Biman Jana Department of Physical Chemistry, IACS Integrated Ph.D. Programme in Chemical Sciences (IntPCS) since Prof. Pradyut Ghosh, Prof. Tapan Kanti Paine, Dr. Amit Majumdar, the academic session 2005-2006. The primary objective is to offer Department of Inorganic Chemistry, IACS research oriented multi-disciplinary courses, including not only the basics of Organic, Inorganic, Physical and Analytical Chemistries Prof. Rupa Mukhopadhyay, Dr. Siddhartha S. Jana, Department of but also covering modern areas of Material Science and Biology Biological Chemistry, IACS which bear a close kinship and an almost compulsory overlap with Dr. Ayan Datta, Dr. Prashant Chandra Singh, Department of these traditional branches. Spectroscopy, IACS In a broad perspective the design of the Integrated Programme is Dr. Somobrata Acharya, Centre for Advanced Materials, IACS largely equipped to fulfill the requirements of a modern researcher in terms of his/her familiarity with the current development of Prof. Arun Kumar Nandi, Prof. Suhrit Ghosh, Dr. Sudip Malik, experimental and theoretical Chemical Sciences. From the session Polymer Science Unit, IACS 2011-2012, Post B.Sc. Integrated Ph.D. Programme in Chemical Prof. Sugata Ray, Department of Materials Science, IACS Sciences at IACS is being run based on an MOU between IACS and the University of Calcutta (CU), the Programme enjoys its Dr. Ankan Paul, Raman Centre for Atomic, Molecular and Optical affiliation and collaboration with the said University. Sciences (RCAMOS), IACS

Relevant data for the year 2016-17 Prof. Parthasarathi Dastidar, Prof. Surajit Sinha, Dr. Rajib Kr Goswami, Dr. Jotirmayee Dash, Dr. Joyram Guin, Department of Students applied for the course: 428 Organic Chemistry, IACS Appeared for exam: 323 Prof. R. Chakraborty, Retired Faculty Member, Department of Qualified for interview: 50 Chemistry, Presidency University Appeared for interview: 46 Prof. Sanjib Bagchi, Retired Faculty Member, Department of Chemistry, Burdwan University Joined the course: 11 Prof. Sanjib Ghosh, Retired Faculty Member, Department of Faculty members participated in teaching during Chemistry, Presidency University 2016-17: Prof. S. P. Bhattacharyya, Retired Faculty Member, Department of Prof. Indra Dasgupta, Dr. Raja Paul, Department of Solid State Physical Chemistry, IACS Physics, IACS Dr. Rahul Sharma, Department of Chemistry, St. Xavier’s College 160 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA Post-B.Sc. Integrated Ph.D Programme in Biological Sciences (IntPBS)

Integrated MSc-PhD in Chemical and Molecular Biology [A 2+5 Electroanalysis And Sensor years’ teaching-cum-research program] started in partnership Biosynthesis of Secondary Metabolites between Indian Association for the Cultivation of Science (IACS) Proteomics and Indian Institute of Technology at Kharagpur from 2016. The course objectives have been (a) to provide the participating Biostatistics students with an exposure to the modern aspects of biological Functional Materials In Biology sciences as first-degree experience and (b) to provide the students Pharmacokinetics And Pharmacogenomics with the opportunity to acquire skills and expertise relevant to their Drug Design And Development specific research interests under closely monitored and focused supervision. Biotransformation In Organic Chemistry Chemistry of Natural Products Course structure and course works being offered: MEMS & Biosensors Year 1 Semester I: 6 theory courses and 1 laboratory course (at IACS) Semester IV: 1 Elective and Project leading to PhD Subject No Subject Name L-T-P Credit Available electives: BS41003 Biophysical And Biochemical Methods 3-1-0 4 Biomaterials BS40005 Carbohydrates And Lipids: Structure 3-0-0 3 Biological Imaging: In Vivo And In Vitro And Function Drug Delivery And Gene Therapy BS49001 Chemical Biology Laboratory 0-0-6 4 Neurophysiology BS40003 Nucleic Acids: Structure And Function 3-0-0 3 Stem Cell Biology And Therapy BS41001 Cell And Developmental Biology 3-1-0 4 BS41005 Computational Biology And 3-1-0 4 Molecular Imaging Bioinformatics Cancer Biology BS40009 Molecules Of Life & Fundamentals Of 2-0-0 2 Years 3-7: Research work towards PhD Living Systems Co-ordinators: Prof. Rupa Mukhopadhyay and Dr. Siddhartha S Semester II: 5 Theory and 2 Laboratory courses Jana (Department of Biological Chemistry) (at IIT Kharagpur) Instructors involved in first semester (Aug-Dec) 2016: Subject No Subject Name L-T-P Credit From IACS: Prof. Arindam Banerjee, Prof. Prasanta K Das, Prof. BS41004 Advances In Protein Structure And 3-1-0 4 Rupa Mukhopadhyay, Dr. Siddhartha S Jana, Dr. Deepak Sinha, Dr. Function Prosenjit Sen (Department of Biological Chemistry) BS49002 Cell Biology Laboratory 0-0-3 2 Prof. Surajit Sinha, Dr. Jyotirmoyee Dash (Department of Organic BS41002 Structure Determination of 3-1-0 4 Chemistry) Biomolecules Dr. Benubrata Das (Department of Physical Chemistry) BT69016 Recombinant DNA Technology 0-0-3 2 Laboratory Dr. Ayan Dutta, Dr. Prasant Singh (Department of Spectroscopy) BT60002 Recombinant DNA Technology 3-1-0 4 Dr. Raja Paul (Department of Solid State Physics) BS40004 Infection And Immunity 3-0-0 3 From IIT Kharagpur: Dr. Ranjit P Bahadur BS40002 Molecular Microbiology 3-0-0 3 External Instructors: Dr. Chitra Dutta (CSIR-IICB, Kolkata), Prof. Year 2 (students shared between IACS and IIT Kharagpur) Biswadip Das (Jadavpur University) Semester III: 3 compulsory elective (theory) courses + Project Program Performance Indicators: No. of applications: 98 in 2016 (application fee Rs. 500 and Available electives: minimum cut-off marks 55%), 121 in 2017 (application fee Rs. Nanoscale Engineering of Biological Systems 1000 and minimum cut-off marks 60%). There fore an increase of Modern Genetics 23% in one year time was observed. Immunotechnology ANNUAL REPORT 2016-2017 161 INTEGRATED M.Sc. - Ph.D PROGRAMME IN PHYSICAL SCIENCES (IntPPS)

This programme has been launched during the academic An Electronics Laboratory has been developed. session 2016-2017 in collaboration with Jadavpur University. The primary objective of this programme is to offer research oriented Faculty members participated in teaching during 2016- multidisciplinary courses in Physical Sciences for the first two years 17: as a part of requirement of M.Sc degree, followed by admission of IACS FACULTY MEMBERS: the students to Ph.D programme under various departments of Prof. Soumitra Sengupta, Senior Professor, Department of the institute. Theoretical Physics, The M.Sc. degree will be awarded by the Jadavpur University as Prof. Indra Dasgupta, Senior Professor, Department of Solid State per MOU signed between IACS and JU. Physics , After successful clearance of a National level written test and Prof. Subham Majumdar, Senior Professor, Department of Solid interview 12 students got admitted to this programme in the year State Physics, 2016-2017 and successfully continuing their course. Prof. Sourov Roy, Professor, Department of Theoretical Physics, Relevant data for the year 2016-17 Dr. Raja Paul, Assistant Professor, Department of Solid State Physics, Students applied for the course: 281 Dr. Arnab Das, Associate Professor, Department of Theoretical Appeared for examination: 236 Physics, Called for interview: 50 Dr. Somobrata Acharya, Associate Professor, Centre for Advanced Appeared for interview: 48 Materials, Joined the course: 12 GUEST FACULTY MEMBERS: Infrastructural Developments: Prof. Subrata Ray, Retired faculty member, IACS A Class Rooms with all facilities (such as projector, laptop etc) has Prof. Parthasarathi Majumdar, Professor, RKMVU, Belur been dedicated for the IntPPS Programme. Prof. Amitava Dutta, Retired faculty member, IISER, Kolkata A Physics Laboratory with several General Physics experimental Prof. D Raychaudhari, Retired faculty member, CU set ups has been developed.

Courses offered for Ph.D. students during April 2016 to March 2017

Course work offered for Autumn Semester Instructors Basic Polymer Chemstry (Code:14) Suhrit Ghosh, PSU Advanced Solid State Physics (Code:22) Subodh Kumar De, Mat. Science Laser Physics and Quantum Optics Bimalendu Deb, Mat. Science Topics in Inorganic Chemistry (code:08) P Ghose and T.K. Paine, Inorg. Chem. Classical mechanics Arnab Das, Theo Physics Molecular Spectroscopy (Code:027) T Chakraborty and Dr.P.C. Singh; Inorg. Chem. and Bio. Chem.

Course work offered for Spring Semester Instructors Elements of Chemical Biology (Code: 01) (Starts from 17.01.2017) D K Sinha and P Sen; Bio. Chem. Advanced synthetic organic chemistry (Code: 05) (Starts from S Sinha and R K Goswami; Org. Chem. 13.01.2017) Advanced quantum mechanics S. Adhikari and A. Paul; Phy. Chem. and RCAMOS Concepts, models and techniques in inorganic chemistry (Code: T K Paine, P Dastidar, S Acharya; Inorg. Chem., Org. Chem. and 07) (To be announced by the Instructors.) CAM General Polymer Chemistry (Code:013) (To be started from A K Nandi and S Malik; PSU 16.01.2017) 162 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA Implementation of The Official Language Policy

During the financial year 2016-2017, the Association has in the Institute. Hindi Cell has conducted ‘Parangat Hindi Course’ successfully implemented Official Language policy of the during the session from July 2016 to November, 2016 where 13 Government of India in full spirit with the help of the Hindi Cell officials passed the course with good scores. Hindi workshops consisting of Mr. S.N.Moulik, Acting Registrar as in-charge, Mr. were organized on 09.05.2016, 19.09.2016, 15.12.2016, and M.L.Soni, Assistant Registrar (Adm.) as Co-ordinator and Shri Prem 24.03.2017. Sagar Singh as Part-Time Hindi Officer and two committees; One The Association observed Hindi Pakhwara from 14th September implementation Committee and another Advisory Committee, both to 29th September, 2016 and it began with the Hindi Diwas Chaired by the Director/Deans. The Advisory committee also has organized on 14th September. A Hindi Workshop was organized two external members; One Dy. Director, Hindi Teaching Scheme, on 19.09.2016 as mentioned above for the staff followed by Hindi Ministry of Home Affairs, Government of India, Office at Kolkata Quiz and Antakshari competition on 27.09.2016 and 29.09.2016 and a senior Hindi officer of Damodar Valley Corporation, Kolkata respectively. Finally the Institute celebrated closing ceremony of besides internal members. The implementation Committee met on the ‘Hindi Pakhwara’ on 29th September 2016 followed by prize 25.05.2016, 21.09.2016 and 26.12.2016 during the year and gave distribution. their valuable suggestions for effective use of the Official Language ANNUAL REPORT 2016-2017 163 Extramural Funding

Sl. Name of the Project/Scheme/Award Funding Authority, Date of Date of Sanction Amount No. Sanction No., date, Commencement Termination Category 1 Computational design and prediction of SERB, SB/S1/PC- 17.06.2013 16.06.2016/ Rs.48,70,000/- molecular aggregates and polymorphs 38/2012 Grants-in-aid 3 years Closed - 2016- through solid state DFT calculations, PI: Dr. 2017 Ayan Dutta, Spect. 2 Design, synthesis and catalytic applications SERB, SR/S1/IC- 04.07.2013 03.07.2016 Rs.42,79,000/- of functionalized materials having nanoscale 61A/2012, 27.05.2013, 3 years porosity for deriving biofuels from Grants-in-aid biorenewable sources, PI: Prof. A. Bhaumik, MS 3 Identification of phospholipids interaction SERB, SR/SO/BB-0125/ 16.07.2013 15.07.2016 Rs.52,90,000/- at mole-cular level in Tissue factor-Factor- 2012, 11.06.2013; 3 years Vila mediated procoagulant activity and Grants-in-aid establishment of a new hypothesis of involvement of sphingomyelin in Tissue- factor encryption, PI: Dr. Prosenjit Sen, BC 4 Theoretical study of reaction mechanisms SERB, SB/S1/PC- 16.07.2013 15.07.2016 Rs.20,10,000/- for decomposition of organophosphorus 79/2012, 14.06.2013; 3 years compounds PI: Dr. A.K. Das, Spectroscopy Grants-in-aid 5 Award entitled “DNA damage control in Wellcome trust 01.09.2013 31.08.2018 Rs.3,44,22,520/- the nucleus and mitochondria: exploring India Alli-ance, DBT, 5 years new pathways and novel post-translational IA/I/13/1/500888, regulations” to Dr. Benu Brata Das, PC 19.08.2013; Grants-in- aid. 6 Spectroscopy, structure and reaction SERB, SB/S1/PC- 19.09.2013 18.09.2016 Rs.53,00,000/- kenetics of organic peroxy radicals in 027/2013, 22.08.2013; 3 years a simulated atmosphere : mid-infrared GIA. quantum cascade laser spectro-scopy, PI: Prof. T. Chakraborty, PC 7 External structure-directing agent SERB, SR/S1/OC- 23.09.2013 22.09.2016 Rs.1,19,00,000/- for the hydrogen-bonding mediated 18/2012, 03.09.13; GIA. 3 years supramolecular-assembly of functional pie-systems: Establishing the concept and implications in generating versatile organic materials,PI: Dr. S. Ghosh, PSU 8 Chemical synthesis of novel floatation Collaborative Joint 01.10.2013 31.03.2015 Rs.15,00,000/- reagents for enhanced mineral-gangue Res. Pr. with TSL, 1 year & 6 mths Closed separation, PI: Dr. Jyotirmayee Dash Agreement No. M081900, 08.07.2013 9 Functional Study of C2 insert of Nonmuscle SERB; SB/SO/BB-0015/ 25.10.2013 24.10.2016 36,90,000/- Myosin II-C in Neuronal Cell Line, PI: Dr. 2013, 27.09.2013; 3 years Siddhartha S Jana, B.C. Grants-in-aid. 10 Optical and electrical characterization of SERB; SR/S2/CMP- 04.11.2013 03.11.2016 49,08,768/- graphene based new conducting coating 97/2012, 08.10.2013; 3 years for OLED and solar cell application, PI: Dr. Grants-in-aid. Shyamal Kumar Saha, MS 11 Grafting of electroactive polymers for SERB; SB/S1/OC- 19.11.2013 18.11.2016 52,18,000/- developing advanced polymeric materials, 11/2013, 23.10.2013; 3 years PI: Prof. A.K. Nandi PSU Grants-in-Aid. 12 Theoretical Studies on Ion-Atom Interaction SERB; INT/Tunisia/P-05/ 01.04.2013 31.03.2016 11,52,000/- and Cold Collision in the presence of 2013, 26.03.2013; 3 years Extension with no Electromagnetic Fields, PI: Dr. B. Deb, MS Grants-in-aid. cost basis. 13 Development of nanoparticle based imaging SERB; SB/S1/IC- 03.12.2013 02.12.2016 49,64,000/- probe for Amyloid detection, PI: Dr. Nikhil 13/2013, 18.11.2013, 3 years Ranjan Jana, CAM Grants-in-aid. 164 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Sl. Name of the Project/Scheme/Award Funding Authority, Date of Date of Sanction Amount No. Sanction No., date, Commencement Termination Category 14 Studies on pyrazole-based multifunctional SERB; SR/S1/IC- 03.12.2013 02.12.2016 52,90,000/- metal-organic frameworks, PI: Dr. Raju 65/2012, 20.11.2013, 3 years Mondal, Inorg.Chem Grants-in-aid. 15 Exploring various self-complementary SERB; SB/FT/CS- 12.12.2013 11.12.2016 25,00,000/- H-bonding units for supramolecular 098/2012, 13.11.2013, 3 years assembly of organic semiconductors, PI: Grants-in-Aid. Dr. D. Basak, SSP 16 Development of green protocols for SERB; SB/S5/GC- 16.12.2013 15.12.2016 27,70,000/- the synthesis of biologically important 02/2013 28.11.2013; 3 years molecules, PI: Dr. Jyotirmayee Dash, OC Grants-in-aid. 17 Streoselective total synthesis of cyclicether SERB; SB/S5/GC- 26.12.2013 25.12.2016 39,40,000/- containing macrolactins by chiral pool 03/2013, 10.12.2013; 3 years approach, PI: Dr. R. K. Goswami, OC Grants-in-aid. 18 Discovery of DNA Polyintercalators using DST; DST/INT/UK/P- 06.01.2014 05.01.2016 15,73,120/- dynamic combinatorial chemistry, PI: Dr. 48/ 2012, 29.10.2013; 2 years Jyotirmayee Dash, OC Grants-in-aid. 19 Multifunctional Polymer Nanoparticles for Unilever Industries Pvt. 04.01.2014 03.01.2015 12,63,500/- Surface Modification and Actives Delivery, Ltd., MA-2013-00737, 1 year CLOSED PI: Prof. Amitava Patra, MS 17.10.2013, Consultancy 2015-2016 Project. 20 N-heterocyclic carbon (NHC) catalyzed SERB; SB/S1/OC- 01.03.2014 28.02.2017 52,90,000/- activation of silylated nucleophile for the 52/2013 12.02.2014; 3 years construction of C-C and C-heteroatom Grants-in-Aid. bonds,PI: Dr. Joyram Guin, OC 21 New strategy for the optimization of Collaborative; March, 14.03.2014 13.03.2016 150000 Saudi the ionic conduction in glass-insulator 2014; KAACST, NSTIP 2 years Riyals. composite materials; Prof. Aswini Ghosh, SSP 22 Bio-Inspired Catalysts for the Reversible MNRE; 103/180/2010- 19.03.2014 18.03.2017 99,90,000/- Conversion H+ + e---1/2 H2; Dr. A. De, IC NT, 23.12.2013; Grants- 3 years in-aid. 23 Molybdenum containing enzymes: IFCPAR; 28.03.2014 27.03.2017 28,35,358/- Bioinspired peptidic catalysis for CO2 IFC/A/5105-2/2014/573, 3 years reduction; Dr. Surajit Sinha, OC 28.03.2014; Collaborative Project. 24 Structural and functional models for SERB; SB/S1/IC- 28.05.2014 27.05.2017 51,00,000/- the active sites of carbon monoxide 43/2013, 13.05.2014, 3 years dehydrogenases, PI: Dr. Amit Majumdar, IC Grants-in-aid. 25 Indo-UK-To study gelatin mechanism DST; DST/INT/UK/P- 08.05.2014 07.05.2016 11,64,000/- of self-assembling peptide based new 64/ 2014, 09.04.2014; 2 years hydrogelators for the application of sustain Grants-in-aid. release of drugs, Prof. Arindam Banerjee, BC 26 Biomimetic ion transport systems based on DAE; 37(2)/14/1/2014- 27.05.2014 26.05.2017 25,00,000/- nucleoside derivatives, PI: Dr. J. Dash OC BRNS/0150, 28.04.2014; 3 years Grants-in-aid. 27 Bio-inspired and bio-chemical catalytic SERB; SB/S1/IC- 17.06.2014 16.06.2017 1,06,90,000/- surfaces, PI: Dr. Abhishek Dey, IC 25/2013, 27.5.2014; 3 years Grants-in-aid. 28 DST-UKIERI/Multifunctional hybrid DST; DST/INT/UK/P- 02.06.2014 01.06.2016 29,44,400/- nanocomposites for …….. From water, PI: 82/2014, 29.04.2014; 2 years Prof. Asim Bhaumik, MS Grants-in-aid. 29 Indo-Japan/Control of Assembly structures DST; DST/INT/ 10.06.2014 09.06.2016 6,28,000/- of spin-polarized organic molecules for JSPS/P-172/2014, 2 years Closed in 2016- molecular electronics and spintronics, PI: 19.05.2014; Grants-in- 2017 Prof. Amlan Jyoti Pal, SSP aid. ANNUAL REPORT 2016-2017 165

Sl. Name of the Project/Scheme/Award Funding Authority, Date of Date of Sanction Amount No. Sanction No., date, Commencement Termination Category 30 Synthesis of carbene stabilized group SERB; SB/FT/CS- 11.08.2014 10.08.2017 24,30,000/- 13 element phosphides and nitrides: 095/2013, 30.06.2014, 3 years Applications and use in the synthesis of Grants-in-aid. new molecular scaffolds; PI: Dr. Barun Jana, IC 31 Recyclable magnetic nanoparticles DST; SR/NM/NS- 30.09.2014 29.09.2017 44,09,600/- supported catalysis for enantioselective 1034/2011 (G), 19.09.14; 3 years synthesis; PI: Dr. Jyotirmayee Dash, OC Grants-in-aid. 32 Studies on Mettallogelation Using Pyrazole SERB; SB/EMEQ- 13.10.2014 12.10.2018 47,20,000/- Based Ligands; PI: Dr. Raju Mondal, IC 301/2014, 15.07.14; GIA. 4 years 33 Hydrogen bonding mediated nano DST; SR/NM/NS- 01.10.2014 30.09.2017 41,97,295/- structured supramolecular assembly of 1052/2013 (G), 25.09.14, 3 years donor acceptor building blocks; PI: Dr. GIA. Suhrit Ghosh,PSU 34 Aldehyde C-H bond activation for the SERB; SB/S5/GC- 13.10.2014 12.10.2017 46,00,000/- construction of C-C bond under green 08/2014, 03.09.14; GIA. 3 years reaction protocols; PI: Dr. Joyram Guin, OC 35 Study of action filament conformational SERB; SBSO/BB- 16.10.2014 15.10.2017 49.50,0000/- dynamics, PI: Dr. Deepak Kumar Sinha, BC 101/2013 19.08.2014; 3 years GIA 36 Development of p-type transparent SERB; SB/S2/CMP- 29.10.2014 28.10.2017 48,08,099/- conducting oxide film, PI: Prof. D. Basak, 055/2013; 09.10.14; GIA. 3 years. SSP 37 INSA Senior Scientist entitled Supported INSA; SP/SS/2012/1654, 03.11.2014 02.11.2017 13,80,000/- Metal Salts and Metal Nanoparticles as 04.10.2012; GIA. 3 years Green Catalyst, PI: Prof. B.C. Ranu, OC 38 Self Sorting Donor and Acceptor IFCPAR; DST-ANR2014/ 14.01.2015 13.01.2018 76,78,221/- Assemblies, PI: Dr. Suhrit Ghosh, PSU Engg-I/SODA/2136, 3 years 17.12. 2014, Collaborative Project 39 Study of cell-cell interaction mediated via DBT; BT/PR6995/ 16.01.2015 15.01.2018 98,00,000/- substrate viscoelasticity, PI: Dr. Deepak BRB/10/ 1140/2012, Kumar Sinha, Biological Chemistry 06.01.2015; GIA. 40 To probe functional Bio-interfaces by SERB; SB/SO/BB- 25.03.2015 24.03.2018 73,50,000/- scanning probe Microscopy at Nanoscale/ 33/2014 24.3.15; GIA. Single Molecule Level, PI: Dr. Rupa Mukhopadhyay, BC 41 Design and synthesis of triazole SERB; SB/S1/OC- 20.03.2015 19.03.2018 51,90,000/- tailored macro-cuclic azole amides for 06/2014, 12.3.2015; GIA. G-quadruplex DNA recognition, PI: Dr. Jyotirmayee Dash, OC 42 Graphene/CuPc composite for diode DST, WOS; SR/WOS-A/ 30.03.2015 29.03.2018 13,09,000/- and memory switching devices, PI: Ms. PM-1023/2014(G); Moumita Mukherjee, MS 30.10.2014; GIA. 43 Electronic Structure and Transport in DST; INT/FRG/ 01.05.2015 30.04.2017 4,84,000/- Functional Nano-materials, PI: Prof. Indra DAAD/P-256/ 2015, 2 years Dasgupta, SSP 03.02.2015; GIA. 44 Magneto-functional properties of materials: SB/S2/CMP-029/2014 17.06.2015 16.06.2018 2,00,41,820/- Exchange bias and magnetic refrigeration dated 09.06.2015; GIA. 3 years PI: Dr. Saurav Giri, SSP 45 Magnetic and optical ...... Semiconductor, CSR/Acctts/2014-15, 22.06.2015 31.03.2017 45,000/- + PI: Prof. S.K. De MS dated 22.06.2015; 1 year 44,991/- Collaborative Project. (extended period). 166 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Sl. Name of the Project/Scheme/Award Funding Authority, Date of Date of Sanction Amount No. Sanction No., date, Commencement Termination Category 46 Structure, spectroscopy and reactivity 37(3)/14/19/2015/BRNS/ 15.09.2015 14.09.2018 22,16,000/- of low dimensional systems, PI: Dr. Ayan 3076, 27.07.2015, GIA. 3 years Dutta, Spectroscopy 47 Spin liquids: correlations, dynamics and Agreement date: 17.09.2015 16.09.2018 Euro 60,000/- disorder, PI: Dr. Arnab Sen, Theo.Phys. 28.07.15, Collaborative 3 years Project. 48 Synergistic participation of redox non- EMR/2014/000520, 19.09.2015 18.09.2018 46,00,400/- innocent azo-aromatic ligand(s) and metal 24.08.2015, GIA. 3 years in catalysis, PI: Prof. S. Goswami, IC 49 Dynamics of charge carriers in ion EMR/2015/000149, 06.10.2015 05.10.2018 50,06,800/- conducting glasses, PI: Prof. Aswini Ghosh 11.09.2015, GIA. 3 years & Prof. Subham Majumdar, SSP 50 Inhibition of cancer cell proliferation by 6242-P31/RGCB/PMD/ 05.10.2015 04.10.2018 25,00,450/- targeting human telomeric G-quadriplex DBT/JTDH/ 2015, 3 years with nucleoside derivatives, PI: Dr. 29.07.2015, GIA. Jyotirmayee Dash, OC 51 Cooperative Effect of two or more metal SERB, 17.10.2015 16.10.2018 44,90,000/- centers in the activation and reduction EMR/2014/000972, 3 years of dioxygen: implications for oxidation 06.10.2015; GIA. catalysis,PI: Dr. T.K. Paine, IC 52 Multicolor Electroluminescent Devices using SERB; 06.10.2015 05.10.2018 37,40,000/- Complex Nanocrystals as Active Elements, EMR/2014/000664, 3 years. PI: Dr. Somobrata Acharya, CAM 11.09.2015, GIA. 53 Development of noble molecular catalysts SERB; 21.11.2015 20.11.2018 30,00,000/- of non-innocent azoaromatic based ligand YSS/2015/000304, 3 Years for catalytic transfer hydrogenation reaction 04.11.2015; GIA. and proton reduction, PI: Dr. Mainak Mitra, IC 54 Photophysics and Photochemistry of Semi- Unilever Industries Pvt. 15.06.2015 14.06.2018 39,60,360/- conductor Nanocrystals (ZnO, SnO2) and Ltd., Bangalore, MA- 3 years their Composites, PI: Prof. Amitava Patra, 2015-01003, 15.06.2015, MS Consultancy 55 Development of anion complex (synthetic Tata Steel Ltd.; 2015-2016 2017-2018 19,98,000.00 + receptors) for removal of chloride and TSL&IACS/1/ 2015-16, 2 years Service Tax cyanide from steel wastewater, PI: Prof. 28.8.2015, Collaborative Pradyut Ghosh, IC Project. 56 Architecting visible-NIR light absorbing DST; SR/NM/NS- 18.12.2015 17.12.2018 94,36,800/- hetero-nanostructures for harvesting solar 2014(G),. 09/12/2018, 3 years light., PI: Dr. Narayan Pradhan, MS GIA. 57 Theoretical study on the quantum dynamics SERB; SB/S2/LOP-008/ 29.12.2015 28.12.2018 19,23,120/- of ultracold atoms, molecules and atom- 2014, 14.12.2015, GIA. 3 years molecular coupled systems trapped in a double well potential, PI: Dr. Bimalendu Deb, MS 58 H2 Evolution: Cheap Catalysts for Noble IFCPAR; 5405-1, 28.12.2015 27.12.2018 46,17,084/- Task, PI: Dr. Abhishek Dey, IC 21.12.15, Collaborative 3 years Project. 59 Modular Synthesis for Connecting Different SERB; 28.01.2016 27.01.2019 30,00,000/- Groups of Semiconductor Nanostructures YSS/2015/001860, 3 years for Efficient Photo-electrochemical Splitting 12.01.2016, GIA. of Water, PI: Dr. Gyanaranjan Prusty, MS 60 Effect of secondary coordination sphere on SERB; 28.01.2016 27.01.2019 40,00,000/- the reactivity of biomimetic metal-oxygen YSS/2015/001741, 3 years oxidants, PI: Dr. Reena Singh, IC 11.01.2016, GIA ANNUAL REPORT 2016-2017 167

Sl. Name of the Project/Scheme/Award Funding Authority, Date of Date of Sanction Amount No. Sanction No., date, Commencement Termination Category 61 Mechanistic Investigation of Reactivities SERB; 19.02.2016 18.02.2019 1,49,04,000/- of Heme-Peptide Complexes Relevant to EMR/2014/000392 3 years Alzheimer’s Disease & Type 2 Diabetes, PI: 15.02.2016, GIA. Dr. Somdatta Ghosh Dey, IC 62 Molecular level understanding about the SERB; 23.03.2016 22.03.2019 9522100 role of lipids, interfacial water, ions and EMR/2015/001605, 3 years cholesterol in the allosteric modulation and 23.3.2016; GIA enhanced activity of proteins responsible for the blood clotting by a surface selective Heterodyne Detected Vibrational Sum Frequency Generation (HD-VSFG) Study, PI: Dr. Prashant Chandra Singh, Spect. 63 Synthetic mineralization by simple, cost DST; DST/TM/ 26.03.2016 25.03.2019 9913062 effective way for permanent removal of toxic WTI/2K15/74 (C), 3 years contaminants from water, PI: Dr. Sugata 11.03.2016; GIA. Ray, MS 64 Bio-inspired supramolecular approach for DST; DST/SJF/CSA- 07.06.2016 06.06.2021 2,12,00,000/- macromolecular assembly, PI: Dr. Suhrit 012014-15, 30.05.2016, 5 years Ghosh, PSU GIA. 65 COT island inside two fused corroles: SERB; 13.06.2016 12.06.2019 36,72,000/- Unique photophysical properties and YSS/2015/001635, 3 years. application for water oxidation O2 31.05.2016, GIA. Reduction and anti tumor activities, PI: Dr. Susovan Bhowmik , Inorg. Chem. 66 Design and Development of Organic Tata Steel Ltd.; V 001958, 10.12.2015 09.06.2017 25,00,000/- Compounds/Polymer to enhance the 2016-17, 10.12.2015, 1.5 years coking potential of non-coking coal, PI: Dr. Collaborative Project. J. Dash, OC 67 Algorithmic Implementation of beyond born SERB; 18.06.2016 17.06.2019 6167480 - Oppenheimer theories for Spectroscopic EMR/2015/001314, 3 years and Scattering Processes, PI: Prof. Satrajit 08.06.2016, GIA. Adhikari, PC 68 Development of bio-inspired catalysts for Swedish Research 01.01.2016 31.12.2018 SEK 13,20,000.00 oxidative degradation of organic pollutants Council, Sweden; 3 years in wastewater, PI: Dr. T.K. Paine, IC Collaborative Project. 69 Functional Study of Nonmuscle Myosin II SERB; 10.08.2016 09.08.2019 51,34,809/- Isoforms in Bleb Dynamics in Tumor Cell EMR/2015/002054, 3 years Line, PI: Dr. Siddhartha Sankar Jana, B. 18.07.2016 Chem 70 Semiconducting Nanotubes from Custom DST; DST/INT/ 30.07.2016 29.07.2018 6,40,000/- Designed Polyurethanes: Design and JSPS/P-218/2016, 2 Years Charge Transport Studies, Dr. Suhrit Ghosh, 25.07.2016, GIA. PSU 71 Developing Organic-Inorganic Hybrid SERB; 17.09.2016 16.09.2019 24,73,200/- Systems for Bromedical Applications, PI: Dr. EMR/2016/000894, 3 Years Parthasarathi Dastidar, IC 02.09.2016, GIA. 72 Halogen Bonding (XB) versus Hydrogen SERB; 23.09.2016 22.09.2019 52,59,384/- Bonding (HB) in Anion Recognition and EMR/2016/000900, 3 years Sensing, PI: Prof. Pradyut Ghosh, IC 19.09.2016, GIA. 73 Moulding of two advanced materials for DST; SR/WOS-A/PM- 22.09.2016 21.09.2018 21,80,000/- technical applications, PI: Dr. Chhayabrita 11/2016(G), 12.09.2016, 2 years Maji, MS GIA. 74 Development of anion complex (synthetic Tata Steel Ltd.; 2015-2016 2017-2018 52,90,000/- receptors) for removal of chloride and TSL&IACS/1/ 2015-16, 2 years cyanide from steel wastewater, PI: Prof. 28.8.2015, Collaborative Pradyut Ghosh, IC, Phase - 2. Project. 75 Characterization of color compound and TATA Steel Ltd; W 2016-2017 2018-2019 19,40,000/- development of surface acting reagent of 162875, 2016-2017, 1.5 years. BOT water, PI: Dr. J Dash, OC Collaborative Project. 168 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Sl. Name of the Project/Scheme/Award Funding Authority, Date of Date of Sanction Amount No. Sanction No., date, Commencement Termination Category 76 Polymer-Surfactant Complex by Donor Unilever Industries; 01.06.2016 31.05.2019 39,33,075/- (D)-Acceptor (A) Charge-Transfer (CT)- MA-2016-00723N, 3 years Interaction, PI: Dr. Suhrit Ghosh, PSU 01.06.2016 Sponsored Project. 77 Non-equilibrium dynamics of correlated DST; INT/RUS/ 17.09.2016 16.09.2018 20,32,360/- quantum systems: application to RFBR/F-249, 07.09.2016, 2 years Josephson junctions and ultracold atoms, GIA. PI: Dr. Krishnendu Sengupta, TP 78 Stereoselective Total Synthesis of Marine SERB; 28.10.2016 27.10.2019 30,40,572/- Macrocyclic Lactone Biselyngbyaside and EMR/2016/000988, 3 years its variants and their Biological Activities, PI: 19.10.2016, GIA. Dr. Rajib Kumar Goswami, OC 79 Singlet Fission in Conjugated Molecules for SERB; 29.11.2016 28.11.2019 62,66,480/- Enhanced Solar Cell Efficiency Computation EMR/2016/000741, 3 years Investigations, PI: Dr. Ayan Datta, Spect. 24.08.2016, GIA. 80 Investigation of molecular origin of ice SERB; 16.11.2016 15.11.2019 49,60,440/- recognition and ice growth prevention by EMR/2016/001333, 3 years antifreeze proteins, PI: Dr. Biman Jana, 04.11.2016, GIA. Phys. Chem. 81 Design and Synthesis of Stimuli Responsive SERB; 11.01.2017 10.01.2020 75,12,144/- Ionic Polymer Architectures and Their EMR/2016/002321, 3 years. Applications, PI: Prof. Tarun Kumar Mandal 19.12.2016, GIA. , PSU 82 Nanotechnology based selective detection DST; DST/TM/ 27.12.2016 26.12.2019 20,90,000/- of endocrine disrupting chemicals in WTI/2K16/02 (G), 3 years contaminated water, PI: Dr. Nikhil Ranjan 16.12.2016; GIA. Jana, CAM 83 Organic-inorganic Hybrid Mesoporous DST; DST/INT/ 22.11.2016 21.11.2018 6,30,000/- Materials as Carriers of Anti-inflammatory Egypt/P-05/2016, 3 years Drugs for controlled Delivery Systems, PI: 08.11.2016, GIA Prof. Asim Bhaumik, MS 84 Modulated Semiconductor SERB; 25.01.2017 24.01.2020 50,14,440/- Nanoheterostruc-tures for EMR/2016/001795, 3 years Photoelectrocatalysis, PI: Dr. Narayan 04.01.2017, GIA. Pradhan, MS 85 Functional analysis of Nonmuscle myosic Iis DBT; BT/PR12910/ 24.05.2017 23.05.2020 69,63,100/- and their mutants found in human patients, BRB/10/1389/ 2015, 3 years PI: Dr. Siddhartha Sankar Jana, BC 03.03.2017, GIA. 86 Multifaceted Symmetrical and SERB; 23.03.2017 22.03.2020 57,33,935/- Unsymmetrical Metallo-Phthallocyanines EMR/2016/004705, 3 years Peripherally Functionalized with Aza-Crown 21.03.2017; GIA Macrocycles, PI: Dr. Harapriya Rath, IC 87 Optimization of Device Specification for Samsung Elec. Co. 01-05-2006 N/A N/A Rs.27,02,920/- Non-Volatile Organic Memory, PI: Dr. Amlan Ltd., Japan; Ag. Date: Jyoti Pal, SSP 01.03.06, Consultancy Project. 88 IACS-BARC Initiative for Research in BARC and DAE; 17.04.2009 5 31.03.2014/ Rs.7,00,00,000/-+ Quantum structures (IBIQuS), PI: Prof. B.N. BARC/Accts/Works/ years + 3 years 31.03.2017 10.40 crore (for Dev, Co. PI: Prof. G.P. Das, MS MoU/266/2009 13.04.09; extension periods) Collaborative P. 89 Programme support on an interdisciplinary DBT; BT/01/ 24.10.2011 23.10.2016 Rs.3,00,68,000/- approach towards developing drug delivery CEIB/11/V/13, 5 years systems, PI: Dr. P. Dastidar, OC 29.09.2011; Grants-in- aid. 90 Award of Swarnajayanti Fellowship to Dr. DST; DST/SJF/ 14.08.2012 13.08.2017 Rs.2,20,50,000/- Narayan Pradhan, M.S. entitled "Exploring CSA-01/2010- 5 years doped semiconductor nanocrystals" 2011, 16.05.2012; Swarnajayanti Scholarship Reserve Fund. ANNUAL REPORT 2016-2017 169

Sl. Name of the Project/Scheme/Award Funding Authority, Date of Date of Sanction Amount No. Sanction No., date, Commencement Termination Category 91 Decay dynamics of nanostructured DAE, BRNS; 2012/21/05- 24.08.2012 23.08.2017 Rs.1,00,00,000/- materials for photonic applications, PI: Prof. BRNS/ 1095, 5 years Amitava Patra, MS 12.07.2012;Grants-in-aid. 92 Indo-US/US-India Consortium for Solar JCERDC-SERIIUS; 19.12.2012 18.12.2017 Rs.4,55,00,000/- Energy Research Institute for India and The IUSS-TF/ JCERDC- 5 years United States (SERIIUS); PI: Prof. A.J. Pal, SERIIUS/2012 SSP; Dr. Durga Basak, and Prof. Partha 22.11.2012; Grants-in- Chaudhuri aid. 93 Magneto-transport in graphene/grapheme DST; SR/NM/NS- 07.02.2013 06.02.2016 Rs.38,90,000/- based composite materials; PI: Dr. Shyamal 1089/2011 (G); 3 years Kumar Saha, MS 28.01.2013; Grants-in- aid. 94 Plasmonic enhancement for Quantum Dot RNTBCI; A.Date: Oct.'12 Sept. 2013 Rs.16,00,000/- based solar cells; PI: Prof. Amlan Jyoti Pal, 26.11.12; Consultancy 1 year SSP Project. 95 Small molecule modulation of Hedgehog SERB, SR/S1/OC- 11.06.2013 10.06.2016 Rs.46,78,000/- signaling (Hh) pathway; PI: Dr. S. Sinha, OC 87/2012 Grants-in-aid 3 years CLOSED 2016- 2017 96 Developing functional metallogels; PI: Dr. SERB, SR/S1/IC- 17.06.2013 16.06.2016 Rs.51,19,000/- Parthasarathi Dastidar, OC 68/2012; Grants-in-aid 3 years 97 Photophysical and optoelectronic properties SERB, SB/S1/PC- 17.06.2013 16.06.2016 Rs.44,90,000/- of inorganic-organic nanostructures, PI: 18/2012 Grants-in-aid 3 years CLOSED Prof. Amitava Patra, MS 2016-2017 98 ZnO-based Nanostructures and Doped CSIR; 03(1260)/12/EMR- 01.06.2013 31.05.2016 15,92,000/- Thin Films for Gas Sensing Applications PI: II, 06.11.2012; GIA. Prof. Durga Basak, SSP 99 Proline containing chiral dendritic molecules CSIR; 02(0121)/13/EMR- 12.04.2013 11.04.2016 23,92,000/- as novel G-quadruplex binding ligands, PI: II; 12.04.2013; GIA Dr. J. Dash, OC 100 Coordination Chemistry of Multinuclear CSIR; 01(2557)/12/EMR- 03.05.2013 02.05.2016 15,42,000/- Compounds with Hetero-Metal II, 03.04.2012; GIA. CLOSED 2016- Combinations PI: Prof. Muktimoy 2017 Chowdhury, IC 101 Total synthesis of biologically active non- CSIR;02(0119)/13/EMR- 12.04.2013 11.04.2016 14,00,000/- anolides-"Cytospolides and Decytospolides II, 12.04.2013; GIA PI: Dr. Rajib Kumar Goswami, OC 102 Redox events in transition metal complexes CSIR; 01(2714)/13/EMR- 17.04.2013 16.04.2016 21,00,000/- of non-innocent ligands, PI: Prof. Sreebrata II, 17.04.2013; GIA. Goswami, IC 103 Metal ions assisted molecular cages and CSIR; 01(2715)/13/EMR- 17.04.2013 16.04.2016 20,62,000/- other self-assembles for host guest studies II, 17.04.2013; GIA. CLOSED 2016- PI: Prof. Pradyut Ghosh, IC 2017 104 Linked pi Conjugated Macrocycles with CSIR; 02(0120)/13/EMR- 12.04.2013 11.04.2016 14,00,000/- Special Applications for Device Chemistry, II, 12.04.2013; GIA. PI: Dr.(Ms) Harapriya Rath, IC 105 Experimental Realization of Half-Metallic CSIR; 03(1269)/13/EMR- 12.04.2013 11.04.2016 12,42,000/- Anti-ferromagnetism in Double Perovskites II, 12.04.2013; GIA. and Other Systems, PI: Dr. Sugata Ray, MS 106 Advance Drug Delivery System (ADD) under CSIR-IICT; 9/1/CS/ 2012-2013 2016-2017 80,56,000/- Chemical cluster; PI: Prof. Prasanta Kr. Das, IICT(11) /2012-13- BC PPD, 03.10.2012 Suprainstitutional Network 107 Graphene Oxide/Polyaniline CSIR; 02(0161)/13/EMR- 21.10.2013 20.10.2016 15,00,000/- Nanocomposite and its Application as II, 21.10.2013; GIA. Supercapacitors, PI: Dr. Sudip Malik, PSU 108 UV Photochemistry of Hydrated Phenols CSIR; 01(2751)/13/EMR- 01.02.2014 31.01.2017 15,42,000/- in Cold Inert Gas Matrixes, Prof. Tapas II, 28.10.2013; GIA. Chakraborty, PC 170 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Sl. Name of the Project/Scheme/Award Funding Authority, Date of Date of Sanction Amount No. Sanction No., date, Commencement Termination Category 109 Looking at Histone-Histone CSIR; 01(2775)/14/EMR- 25.06.2014 24.06.2017 12,42,000/- Acetyltransferase Complex Formation II, 25.06.2014; GIA. by AFM-based Single Molecule Force Spectroscopy, PI: Dr. Rupa Mukhopadhyay, BC 110 H-bonding Reinforced Alternate Stacking CSIR; 02(0177)/14/EMR- 07.05.2014 06.05.2017 16,52,000/- of Aromatic Donor and Acceptor II, 07.05.2014, GIA. Chromophores Testing the Scope in Organic and Aqueous Medium, PI: Dr. Suhrit Ghosh, PSU 111 Unraveling the Mechanism of Reactions CSIR; 01(2776)/14/EMR- 25.06.2014 24.06.2017 9,00,000/- Catalyzed by Oxygen Activating Nonheme II, 25.06.2014, GIA. Iron Enzymes using Biommetic Complexes, PI: Dr. T.K. Paine, IC 112 Characterization and reactivity of Heme CSIR; 01(2764)/13/EMR- 21.10.2014 20.10.2017 12,00,000/- Amyloid Peptide Associated with II, 28.10.2013; GIA. Alzheimer's Disease, PI: Dr. Somdatta Ghosh Dey, IC 113 Activation of small molecules using non- CSIR; 01(2804)/14/EMR- 01.01.2015 31.12.2017 6,00,000/- heme carboxylate bridged diron complexes, II, 24.11.2015; GIA. PI: Dr. A. Majumdar, IC 114 Synthesis and evaluation of gene silencing CSIR; 02(0204)/14/EMR- 17.11.2014 16.11.2017 9,00,000/- properties of self-penetrating antisense II, 17.11.2014; GIA. morpholino oligonucleotides targeting vegfri in tyrosine kinase pathway, PI: Dr. Surajit Sinha, OC 115 Structural changes in protiens induced by CSIR; 01(2803)/14/EMR- 24.11.2014 23.11.2017 4,50,000/- ion binding: A polarized attenuated total II, 24.11.2014; GIA reflection-fourier transform infrared (ATR- FTIR) study, PI: Dr. Prashant Chandra Singh, Spectroscopy 116 Improving Mechanical and Optoelectronic CSIR; 02(0241)/15/EMR- 26.11.2015 25.11.2018 20,96,000.00 Properties of Hybrid Supramolecular Gels, II, 26.11.2015; GIA. PI: Prof. A.K. Nandi, PSU 117 Computational Study of Thermochemical CSIR; 01(2846)/16/EMR- 01.06.2016 31.05.2019 8,90,000.00 Properties and Hydrogen Storage Systems, II, 12.05.2016; GIA. PI: Prof. Abhijit Kumar Das, Spectroscopy 118 Development of Advanced Bioimaging CSIR; 02(0249)/15/EMR- 17.05.2016 16.05.2019 12,96,000/- Probe from Nanobioconjugate Having II, 17.05.2016; GIA. Controlled Average Number of Biomolecule between One and Hundred per Nanoparticle, PI: Dr. Nikhil Ranjan Jana, CAM 119 Targeting four stranded nucleic acids using CSIR; 02(0269)/16/EMR- 02.12.2016 01.12.2019 26,96,000.00 prolinamide derivatives, PI: Dr. Jyotirmayee II, 02.12.2016, GIA. Dash, OC ANNUAL REPORT 2016-2017 171 Status of Reservation for SC/ST/OBC/Physically Disabled Persons

Consequent upon adoption of the principle of reservation for SC/ST/OBC/PWD by the Governing Council, the Association has been following the policy of the Government in the matter of the recruitment of Academic and Non-Academic staff. A brief statement in regard to the recruitment in the post of reserved categories till 31st March, 2017 is appended below:-

Category No. of post No. of No. of post No. of post No. of post to be Post to be filled up identified vacancy filled up advertised advertised against future vacancy available Group A 08 06 02 - 06 - Group B 55 28 27 01 27 - Group C 64 24 40 - 24 - Total 127 58 69 01 57 -

Note:- 1. After implementation of 6th CPC’s recommendation, all cadres of PB-2, Grade Pay of Rs. 4600 have been merged with Group B and Cadres of PB-1, below Grade Pay of Rs. 1900 (erstwhile Group D) have been merged with Group C and accordingly shown above. 2. All 9 posts of Sweepers filled up from the SC Category.

Implementation of Right to Information Act 2005

In order to promote transparency and accountability in its The following Officers are responsible to properly implement the functioning, IACS has been making constant efforts for successful RTI Act at IACS : - implementation and enforcement of Right To Information (RTI) Act 1. Shri Amit K Majumdar, Assistant Registrar – I, Registrar’s Office 2005 promulgating by the Government of India. As per provision - CPIO of the Act, IACS mandates timely response to any Indian citizen requesting for information. The RTI Cell at IACS, by making its Pro- 2. Shri Soumen Kumar Ghosh, Office Superintendent, Accounts Active Disclosure available online in the Public Domain, has been a Section - ACPIO Gateway to the citizens for quick search of any information relating 3. Shri S N Moulik, Acting Registrar - Appellate Authority. to IACS. Notifications received from the Government of India from time to time, are uploaded at the RTI site on regular basis. Returns are submitted to the CIC and communications are made with them and with DST, Government of India, as and when asked for. 172 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA Internal Complaints Committee

Members: Prof. Tanusree Kar Chairperson Prof. Durga Basak Member Prof. Tanusri Saha Dasgupta External member Prof. Amitava Patra Member Prof. Rupa Mukhopadhyay Member Dr. Somobrata Acharya Member Dr. Siddhartha Sankar Jana Member Dr. Miratun Nahar Lady NGO Member Mr. Arka Pratim Chowdhury Lawyer Member Mrs. Chandana Bhattacharya Member-Secretary

During 2016-17

No. of Complaints Received No. of Complaints disposed No. of cases pending No. of awareness programme carried out 01 01 Nil Nil ANNUAL REPORT 2016-2017 173 Library

The IACS Library is a knowledge hub of basic science, since its existence. The library has catered to the academic and research needs of the scholars, student and teachers. We have advanced our web activity with the incorporate of a new number of high impact e-Journals and databases being made available through campus network to research scholars, Scientists, faculties, IACS members, and library members. In addition to this more online journals and databases are also accessible through DST-CSIR (NKRC) Consortium. Our OPAC is also being further strengthened. We endeavour to further improve all our efforts to facilitate right information for communicating to the users rapidly. The Circulation Division of the Library has provides open access to issuable books to its students, faculty and staff. Users can go to stacks directly for selection of the desired books and after selection can borrow them. In selecting books and reference sources, identification of the needs of the academic community, current fields of study and educational levels are taken into account. The resources are acquired after combing through lists, reviews, suggestions of subject experts, meeting and by visiting National/ International book fairs etc. Library users

Lecture/meetings/conference/workshop attended by non-faculty staff : Shri C K Das : (1) Future Librarianship : Innovation for Excellence: Role of Mobile Library Jointly Organized by TFIR :Tata Institute of Fundamental Research, Dr. Homi Bhabha Road, Colaba, Mumbai and Bombay Science Librarians’ Association, Mumbai-400 005; (2) Health Rights : An Epidemiological Study of Lung-Cancer and Prevention, Organized by : Human Rights and Duties Research Center, New Delhi Abhijit Dasgupta : (1) NKRC [National Consortium of DST & CSIR Labs] Nodal Officers Meeting for 2017 Online Resources of DST & CSIR Labs, ICAR - National Agricultural Science Complex, New Delhi, Aug 9-11, 2016; (2) Presentation of DST - IACS Pavilion at the IISF [India International Science Festival], CSIR – National Physical Laboratory, Dec., 5-11, 2016; (3) NKRC [National Consortium of DST & CSIR Labs] Steering Body & Negotiation Committee Meeting, CSIR – NISCAIR Complex, New Delhi, Dec., 14-15, 2016; (4) NKRC [National Consortium of DST & CSIR Labs] Steering Body & Negotiation Committee 2nd Meeting, CSIR – NISCAIR Complex, New Delhi, Feb., 14- 15, 2017 Publication : 1. A Dasgupta and S Sinha, 2016. Development of Knowledge Repository of Databank and Communication Grid for Big Data/Large Data amongst the DST and CSIR research laboratories with the help of NKN [National Knowledge Network] high bandwidth backbone facility (International Conference on Digital Library , Dec., 13-14, 2016, TERI, New Delhi, 2016: Proceedings)

Visitors of North Eastern Hill University (NEHU) Shillong 174 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA CSS Instruments ANNUAL REPORT 2016-2017 175 Department of Central Scientific Services

Prof. Tarun Kumar Mandal Head of the Department Prof. Tapan Kanti Paine Associate Head Prof. Sugata Ray Associate Head

Sl/ Name of the Instrument Name of the Faculty In-Charge Name of the Operator No 1. AFM (Atomic Force Microscope) - Mr. Rabindranath Banic Mr. Supriya Chakraborty 2. AFM (Atomic Force Microscope) CP-II Prof. Prasanta Kumar Das Mr. Sanjoy Sarkar 3. BET Surface area analyzer Prof. Tarun Kumar Mondal Mr. Srideep Bera 4. CHNS Analyzer Prof. Amit Majumder Mr. Srideep Bera 5. CD (Circular Dichroism) Prof. Suhrit Ghosh Mr. Chanchal Kumar Das 6. DSC (Differential Scanning Calorimeter) Prof. Somobrata Acharya Prof. 7. DSC/TGA ( Differential Scanning Calorimeter / Sudip Malik 8. TGA/DTA (Thermogravimetric Analysis / 9. DLS (Dynamic Light Scattering) Prof. Tarun Kumar Mondal Prof. DLS Zeta-Potential Particle Size and Molecular Mrs. Champa Bag 10. Suhrit Ghosh Weight 11. Electro Magnet Prof. Saurav Giri Nil 12. Ellipsometry Prof. Shyamal Kumar Saha Mr. Indranath Bhaumik Prof. Tapan Kanti Paine Prof. 13. EPR Spectrometer Somdatta Ghosh Dey FE-SEM (Field Emission Scanning Electron Prof. Tarun Kumar Mondal Dr. Sasanka Maji 14. Microscope) Prof. Somobrata Acharya Mr. Satinath Paul 15. FT-IR (Fourier Transform Infrared Spectrometer) Prof. Prasant Chandra Singh Mr. Arup Kr Bandyopadhyay FT-NMR (Nuclear Magnetic Resonance) Prof. Tapan Kumar Paine Mr. Sumit Roy 16. Spectrometer Prof. Joyram Guin Mr. Sachin Roy 17. Inert Atmosphere Glove Box Prof. Pradyut Ghosh 18. HPLC (High Performance Liquid Chromatography) Prof. Surajit Sinha Nil Prof. Pradyut Ghosh Mr. Swapan. K. Sarkar 19. HR Mass Spectrometer Prof. Rajib Goswami Mr. Goutam Biswas 20. Mini VSM (Vibrating Sample Magnetometer) Prof. Subham Majumdar Mrs. Champa Bag Prof. Sugata Ray 21. MPMS (Magnetic Property Measurement System) Mr. Subir Sikder Prof.Subham Majumdar MALDI (Matrix Assisted Laser Deposition / Ionization Prof. Sudip Malik 22. Mrs. Champa Bag Mass Spectrometry) Prof. Surajit Sinha 23. Optical Microscope & Micro hardness Test Prof. Shyamal Kumar Saha 24. PLD (Pulsed Laser Deposition) Prof. Durga Basak Mr. Tapas Dutta Mr. Prasad Modak, Prof. Subham Majumdar 25. PPMS (Physical Properties Measurement System) Mr. Supriyo Chakraborty, Prof. Shyamal Kumar Saha Mr. Sanjoy Sarkar Prof. Tapas Chakraborty 26. Raman Spectrometer (Laser) Dr. Manash Ghosh Prof. Abhishek Dey 27. TCSPC Prof. Narayan Pradhan Mr. Subrata Das TEM (High Resolution) (Transmission Electron Prof. Amitava Patra 28. Mr. Arunim Paul Microscope) Prof. Nikhil Ranjan Jana Mr. Supriya Chakraborty TEM (UHR FEG TEM) (Transmission Electron 29. Mr. Suman Guchait Microscope) Mr. Sanjoy Sarkar 30. UV-VIS- NIR Spectrophotometer Prof. Prasant Chandra Singh 176 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Sl/ Name of the Instrument Name of the Faculty In-Charge Name of the Operator No 31. Vacuum coating unit Prof. Sugata Ray Prof. Sugata Ray 32. Vibrating Sample Magnetometer Prof. Saurav Giri Prof. Durga Basak 33. XPS (X-Ray Photoelectron Spectrometer) Mr. Sandip Sarkar Prof. Asim Bhaumik 34. XRD (Single Crystal) Prof. Pradyaut Ghosh 35. XRD Powder (High resolution) Prof. Parthasarathi Dastidar Dr. Bholanath Mondal 36. XRD (AXS) BRUKER Prof. Saurav Giri Mrs. S Ghosh 37. Dielectric Measurement System Prof. Somobrata Acharya 38. Electrochemical Cell/ DiodeArray Spectophotometer Prof. Abhishek Dey

Departmental Publications

1. Charge transfer mechanism and the adsorptive stance of 7. Myoblast differentiation and protein expression in electrospun methylene blue on gold nanocolloids: a vis-à-vis aftermath – S grapheme oxide (GO)-poly («-caprolactone, PCL) composite D Roy, P Sett, M Ghosh and J Chowdhury, Journal of Raman meshes - B Chaudhuri, B N Mondal, S Kumar, S C Sarkar, Spectroscopy, 48, 38 (2017).[IF:2.395] Materials Letters, 182,194 (2016).[IF:] 2. Spectroscopic and Raman excitation profile studies of 8. Structural, thermal and magnetic investigations on immiscible 3-benzoylpyridine - P Sett, S Datta, J Chowdhury, M Ghosh Ag-Co nanocrystalline alloy with addition of Mn - B N Mondal, and P Kr Mallick, Indian Journal of Physics, Online: 14 March S Chabri, G Sardar, D N Nath and P P Chattopadhyay, Journal 2017, DOI: 10.1007/s12648-017-0970-x [IF:1.166] of Magnetism and Magnetic Materials, 412, 138 (2016). [IF:2.357] 3. Enhanced magneto-electric property and Raman spectroscopy of nanocrystalline AlxGa(1−x)FeO3 (x=0.05, 9. Non-destructive quantitative analysis of five commercially 0.10 and 0.20) – A S Mahapatra, K Mukhopadhyay, M Ghosh, available Indian cement clinkers using powder XRD - P P K Mallick, T Matsumoto, A Taguchi, Y Tanioku, K Yoshimura, Dasgupta and B N Mondal, J. Indian Chem. Soc., 93, 193 P K Chakrabarti, Ceramics International, 42, 15904 (2016). (2016).[IF:0.1] [IF:2.758] 10. A novel biocompatible conducting polyvinyl alcohol (PVA)- 4. Enhanced magnetic property and phase transition in Ho3+ polyvinylpyrrolidone (PVP)-hydroxyapatite (HAP) composite doped LaFeO3 – A S Mahapatra, A Mitra, A Mallck, M Ghosh scaffolds for probable biological application - B Choudhuri, B and P K Chakrabarti, Materials Letters, 169, 160 (2016). N Mondal, S C Sarkar and S K Ray, Colloids and Surfaces B: [IF:2.437] Biointerfaces, 1439, 71 (2016).[IF:3.9] 5. Fermi-statistics revisited for Degenerately Doping with 11. Magnetic field induced low temperature upturn of magnetization impurities forming Band-tail, Quarterly Physics Review – P K n highly Ca-doped La0.1875Ca0.8125MnO3 polycrystalline Chakraborty and B N Mondal, 3, 1 (2017).[IF:] compound – K Das, P Dasgupta and A Poddar, Journal of Magnetism and Magnetic Materials, 432, 425, DOI:10.1016/. 6. Microstructure and magnetic behavior of Cu-Co-Si ternary jmmm.2017.02.027 alloy synthesized by mechanical alloying and isothermal annealing – S Chabri, S Bera, B N Mondal, A Basumallick and P P Chattopadhyay, Journal of Magnetism and Magnetic Materials, S Chabri, S Bera, B N Mondal, A Basumallick and P P Chattopadhya, 426, 454 (2017).[IF:2.357] ANNUAL REPORT 2016-2017 177 Computer Centre

The IACS Computer Centre provides all network related services Centre. The other services provided by the Centre include remote to its faculty, staff and students. It has state of the art and well connectivity via virtual private network (VPN), helping administration maintained servers in a cluster environment with fail-over mode to with Accounts related services as well as Enterprise Resource minimise the downtime. Computer Centre has its own mail domain Planning (ERP). Finally, the Centre provides services related to the for IACS with storage for authorised users including web-mail facility. high performance computational facilities of IACS that also include All incoming mails are filtered through Iron port SPAM guard facility. a state-of-the-art supercomputing facility. Seating arrangement The cluster of servers includes a proxy-server for authentication has been made to Integrated Ph.D. students in the Computer which adds to security and accountability. Other servers in the Centre and some more such facility will be made ready for students cluster are being used for Web, local DNS and ftp services. There is in future. a mandate from NKN and NKRC that all academic institutes should The following services are provided by the Computer Centre: have Institutional Repositories (IR) in which research publications and reports are to be uploaded either in pre-print or post-print form 1. Providing Internet (through ethernet as well as wi-fi) to the complying the copyright policy of the publishers. The IR of IACS entire IACS campus for Faculty, Staff, Scholars, and all bona was implemented with handle registration for interoperability and fide users including visitors. the digital repository server is being maintained in the Computer 2. Web-mail facility. Centre. The documents are globally searchable with DOI and other key words. Part of the back volumes of Indian Journal of 3. Remote connectivity through VPN and gateway server. Physics is available in the IR and rest are being uploaded. The 4. Secure web access through proxy authentication. Centre is in the process of creating a Disaster Recovery (DR) site with data synchronisation. The Centre runs on a dual bandwidth 5. ERP services to the administration section setup including 1Gbps link from NKN for mail, internet, online journals and digital library related services, video conferencing 6. Design and Maintains IACS website (www.iacs.res.in) in all etc. The Centre is connected through Fiber Optic cable with ISPs respect. for better stability. Servers and storage devices are connected 7. HPC related services. through Fiber Optic cables for relatively fail-safe services. Network infrastructure is upgraded with network security in a campus-wide 8. Maintains and upload tenders in CPP portal. Wi-Fi environment. The Centre also efficiently uses the bandwidth 9. Implementation and maintenance of Institutional Repository. provided to IACS by the National Knowledge Network (NKN). The Medical Module of ERP is still being maintained by the Computer 10. Implementation of CCTV in IACS. 178 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA Workshop Engineering, Workshop and Stores

Workshop Civil and Plumbing Electrical Liquid N2 Stores

• Carpentry • 3 MVA Substations • Electrical • LV and MV with DG set (24×7) • Civil Electrical • Electromechanical • Mechanical • Electronics • Services • Glass Blowing • EPABX • Mechanical • Refrigerator and AC

Workshop provides essential services to the scientists and also maintenance services in Carpentry, Electrical, Electronics, Glass Blowing, Mechanical & Refrigeration & Air Conditioning system in IACS. Carpentry Section- The carpentry section is equipped for providing services to the laboratories by making different types of laboratory fixtures, table and furniture requirements related to scientific equipment as well as maintaining maintenance of office furniture. Electrical Section –Electrical maintenance works are carried out on breakdown & preventive maintenance of low tension electric distribution networks. Arrangements of audio- visual –lighting system in seminars are also made. Electronics section – Electrical renovations in laboratories are carried out. Making & repairing of electronic gadgets, instruments are done. Glass Blowing section –Manufacturing & repairing of glass apparatus has been done along with quartz glass, etc. The specific jobs are Distillation Units, Reaction Vessels, and Different Manifolds etc. One 5 Nm3/Hr Capacity Oxygen Generator has been installed for use in this section. Mechanical Section – Various scientific apparatus were manufactured or repaired or modified as per requirement by machining & fabrication of steels, stainless steels, brass, copper, aluminum & many non-metals such as Perspex, ebonite, Teflon etc as per job received. Refrigeration & Air-Conditioning section – Repairing of AC & refrigerators, both standard & low temperature units, chillers for instruments, cold water baths etc. are done. Also many ACs of higher tonnage, AC plant & conventional ACs are maintained. ANNUAL REPORT 2016-2017 179

Civil Section • Day-to-Day Operation & maintenance of EPABX cum Reception The Civil section is now located inside the newly renovated Centre & Up-gradation of the same on as & when required Workshop Building. The civil section of IACS is taking care of all basis.. construction activities of the institute. It is doing all routine Repair • Providing Electrical Infrastructure for laboratories and Offices. & Maintenance works consisting of plumbing/sanitary and other • Recording of Energy meter readings in respect of the Staff Civil Repairing activities. Renovation, addition, alteration works for Quarters, Hostels & SBI ATM and preparation & distribution of making laboratory set up and for many other purposes are executed monthly electricity bills to the consumers. by the Civil Engineering section. The activities of day to day • Planning, Design, Estimation & Costing, Preparation of Tender Cleaning and Housekeeping works, Providing Fire Extinguishers documents, calling of tender, award of work, execution of work, in designated locations are also done by the Civil Engineering recording measurements, bill certification etc.. Section. The installation of Fume Hoods in the laboratories and its maintenance are done by the Civil Engineering Section. The • Liaison with Government & Statutory Bodies, viz. Central numbers of Fume Hoods are more than 100 in IACS. The setting Electricity Authority (CEA), West Bengal Pollution Control Board, up specially featured laboratory facilities and many High computing CESC Ltd. etc. on as and when required basis. Clusters are also set up by the Civil Engineering Section. The • Conducting In-service training for the Electrical Maintenance sophisticated CRAY supercomputer and its supporting system Personnel engaged for O & M of substation & Electrical are constructed by the Civil Engineering Section located in the Distribution network on Electrical & Fire Safety. Centenary Building. • Introduction of Solar PV Standalone LED Street Lighting System in the campus of IACS, Jadavpur. Electrical Section • Project planning for installing Grid Connected Solar Roof Top • Round the clock (24x7) operation & maintenance of 6KV/415V, Power Plant of capacity 100KW or so. 3 MVA Indoor type Substation and DG sets which includes monitoring of various electrical parameters so that, quality power • Project Planning including Monitoring of work for “Electrical can be ensured. Intensive monitoring of the power system helps Infrastructure Development Work including providing intelligent the consumer to maintain the desired power factor for earning Fire Detection and Alarm System” pertaining to the Main Bldg. power factor rebate (PFR) to the maximum possible extent. of IACS. During the F.Y. 2016-17, IACS could enjoy PF rebate to the tune • Project planning for providing Electrical Infrastructure pertaining of Rs. 30 Lacs. to 3nos. (2x500 KVA + 1X250 KVA) DG set of IACS. • Day-to-Day maintenance of all Electro-Mechanical services Liquid Nitrogen Facility (viz. Internal & external Electrical installation), Air-Conditioning • Presently there are three Plants that are installed at IACS namely, Systems (viz. Package, VRF & Precision), Passenger lifts etc. PLN106 : capacity: 6-7 lit/hr; MNP 9/01, capacity : 10 lit/hr; SPC01, capacity : 9-10 lit/hr. Total production capacity = 288 lit/ day = 250 lit/day (considering evaporation loss). • No. of Groups using LN2 = 30 approx. • CSS Instruments covered = NMR, BET, XRD, EPR, TEM, SEM etc. • External supply : 3732.5 lit; Internal supply : 30321 lit • Sales against money receipt (accounts section) rate : Rs. 35/lit. 180 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA Non Academic Members as on 31st March, 2017

Administration Shri Sambhu Nath Moulik Shri Sujay Mukhopadhyay (F&AO) Acting Registrar Finance & Accounts Officer-II Shri Subir Kr Nath (F&AO, Proj) Smt Sarbani Saha Finance & Accounts Officer-II Secretary in Director’s Secretariat Smt Chandana Bhattacharya Shri Swapan Pal Assistant Registrar-II Assistant Registrar-II Shri Biswanath Hazra Shri Swapan Thakur Finance & Accounts Officer-II Finance & Accounts Officer-I Shri Somansu Sekhar Das Shri Pitamber Nayek Assistant Registrar-II Assistant Registrar-I Shri Prasanta Kr. Kundu Shri Amit Kr. Majumdar Finance & Accounts Officer-II Assistant Registrar-I Shri Sekhar Mullick Shri Biswanath Mondal Technical Officer Assistant Registrar-I Smt. Anita Chowdhury Shri Mohan Lal Soni Assistant Registrar-II Assistant Registrar-I Shri Apu Chakraborty Shri Arun Dutta Finance & Accounts Officer-II Finance & Accounts Officer Abhijit Dasgupta Shri Abhijit Basak Assistant Librarian-II Assistant Registrar Shri Debatosh Majhi Smt. Dipanwita Chakraborty Finance & Accounts Officer-II Assistant Registrar Shri Arup Kr Saha Shri Soumendra Nath Bose Finance & Accounts Officer Engineer-I Shri Amit Kr Sarkar Shri Dibakar Majumdar Assistant Engineer-I (Civil) Asst. Engineer (Civil) Shri Sujit Kr Biswas Shri Ajit Kr Basak Finance & Accounts Officer Technical Superintendent Shri Swapan Majumder Shri Chandan Goswami Technical Superintendent Junior Engineer (Electrical) Shri Arup Dhar Shri Gopal Krishna Manna Assistant Engineer (Civil) Technical Superintendent Shri Pranab Ch. Kar Shri Prabir Manna Assistant Registrar Assistant Registrar Smt. Sujata Gupta Shri Shib Sankar Basu Technical Officer Jr. Enginer (Elec.) Smt. Suhita Neogi Shri Swapan Kr. Singha Technical Assistant-B Technical Superintendent Shri Asit Banerjee Shri Subrata Basu Sr. Record Keeper-B Senior Technician Shri Soumik Mitra Shri Tapan Sardar Upper Division Clerk-I Assistant Shri Soumen Kr. Ghosh Shri Soumen Seal Office Superintendent Upper Division Clerk-I Shri Raj Kumar Rauth Shri Rajib Debnath Senior Record Keeper-A Junior Engineer (Civil) Shri Sanat Kr Adak Shri Nirmal Majumder Staff Car Driver-D Senior Garden Choudhury Shri Rajesh Mondal Shri Anil Harijan Upper Division Clerk-I Helper-E (Sweeper) Shri Atul Adhikari Shri Haradhan Majumder Senior Garden Choudhury-B Technical Superintendent (Plmb) ANNUAL REPORT 2016-2017 181

Administration Shri Dipankar Chakraborty Shri Sanjib Chongdar Technical Superintendent Sr. Doc. Assistant Shri Adikanda Behura Shri Jay Singh Balmiki Senior Garden Choudhury Conservancy Supervisor Shri Amit Kr Harijan Shri Prabir Kr Guria Helper-E (Sweeper) Helper-E Shri Bimal Paul Smt. Sakhi Mondal Senior Technician (Plumb) Helper-E Shri Gautam Chakraborty Shri Prabir Das Helper-E Senior Technician Shri Gautam Chakraborty Shri Sonai Sardar Watch & Ward Assistant Helper-E Shri Hari Kishan Ray Ramesh Ch Harijan Conservancy Supervisor Conservancy Supervisor Shri Munna Balmiki Shri Ratan Chandra Paul Helper-E (Sweeper) Sweeper, Contractual Rakesh Kr Balmiki Shri Sajal Barua Helper-E Helper-E Shri Gopal Chandra Ghosh Shri Samir Ranjan Mistry Pump Operator, Contractual Sweeper, Contractual Sweta Kishor Behura Shri Sandip Mukherjee Senior Record Keeper-B Helper-A, Contractual Swapan Kr. Ghose Shri Rana Biswas Manager cum Salesman Mali, Contractual Shri Biplu Barua Shri Kamal Das Sr. Record Keeper-B Helper-B (Contractual) Shri Arjun Seal Shri Goutam Naskar Sweeper, Contractual Sweeper, Contractual Shri Suresh Chandra Ghosh Shri Madhab Pusti Helper-A, Contractual Mali, Contractual Shri Abhra Paul Shri Ramesh Pratap Singh System & Network Administrator (Contractual) Mali, Contractual Shri Swastik Sinha Shri Partha Pratim Sen System & Network Administrator (Contractual) Pump Operator, Contractual Theoretical Physics Shri Bhudeb Ghosh Shri Sujit Kr Mukherjee Assistant Registrar-I Technical Superintendent Shri Subrata Balti Shri Bikash Darjee Technical Superintendent Helper-E Shri Suresh Mondal Technical Assistant-B Solid State Physics Shri Subrata Pal Shri Sujit Kr Das Assistant Registrar-I Technical Officer Shri Sutapesh Dutta Shri Tapash Kr Dutta Technical Officer-II Technical Superintendent-I Shri Sandip Sarkar Shri Prosad Kr Modak Technical Superintendent-I Technical Superintendent Shri Prabir Kr Roy Shri Ajit Pandit Technical Superintendent Helper-E Shri Niranjan Kurmi Technical Assistant-B 182 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Spectroscopy Dr. Manash Kumar Ghosh Shri Arup Kumar Banerjee Technical Officer-I Technical Officer-I Shri Subrata Das Smt. Mridula Majumdar Technical Officer Asst. Registrar Shri Chandra Sekhar Naskar Shri Narayan Ch. Barik Technical Assistant-B Technical Assistant-B Material Science Smt Shipra Ghosh Shri Tarun Kr Kabasi Technical Superintendent Assistant Registrar Shri Shib Sankar Routh Shri Subir Sikder Technical Superintendent Technical Superintendent Shri Sanjib Naskar Shri Arunim Pal Technical Superintendent Technical Assistant-B Shri Ranajit Sardar Shri Subhasish Guha Roy Technical Superintendent Helper-E Shri Rajendra Prosad Mandal Technical Assistant-B Physical Chemistry Smt Ujwala Das Shri Joydeb Mondal Technical Assistant-B Technical Assistant-A Shri Babu Chandra Technical Assistant-B Inorganic Chemistry Shri Partha Mitra Shri Arup Kr. Nath Technical Officer-II Technical Superintendent Shri Tamal Chakraborty Shri Prabitra Majumder Assistant Registrar-II Technical Superintendent Shri Sachin Das Shri Goutam Biswas Technical Officer-I Technical Assistant-B Shri Tarak Nath Helper-E Organic Chemistry Shri Bani Brata Roy Sri Arunasish Bhattacharya Technical Superintendent Assistant Registrar-II Smt. Mahua Bhattacharya Shri Asish Kumar Pal Assistant Registrar Technical Superintendent Shri Ranjit Kumar Dey Smt Aparna Das Technical Superintendent Helper-E Biological Chemistry Shri Chanchal Kr Das Shri Shovon Mallick Technical Superintendent UDC-I Shri Gour Chandra Bairagi Shri Prosenjit Ghosh Helper-E Contractual Shri Sujit Bag Helper-E Polymer Science Unit Shri Amit Chakraborty Smt Champa Bag Assistant Registrar-II Technical Superintendent Shri Panchu Gopal Chakraborty Shri Rabindra Nath Banik Technical Superintendent Technical Superintendent Shri Siddhartha Mistry Helper-E ANNUAL REPORT 2016-2017 183

Energy Research Unit Shri Indra Bhowmick Shri Dibabandhu Prasad Technical Officer-II Technical Superintendent Shri Dipankar Majumdar Shri Samir Kr Barua Technical Superintendent Helper-E Shri Mahadeb Das Helper-A (Contractual) RCAMOS Shri Bijan Krishna Chandra Technical Assistant-A MLS Professors Unit Shri Utpal Chakraborty Shri Supriyo Chakraborty Assistant Registrar-I Technical Officer Shri Sanjay Kumar Sarkar Shri Suman Guchait Technical Asst.-B Helper-A (Contractual) Indian Journal of Physics Dr. Swapan Deoghuria Shri Manoj Behura Senior System Analyst Helper-A (Contractual) Academic Office Sri Subhasish Sinha Smt. Saswati Bhattacharya Technical Superintendent Assistant Shri Subhasish Basu Shri Soumen Ghosh Technical Assistant-B Office Superintendent Bibhas Roy Helper-E Library Shri Chanchal Kr. Das Dr. Gayatri Paul Library In-charge Doc. Superintendent Smt Sarmistha Roychaudhury Shri Swapan Kr. Datta Doc. Superintendent-I Doc. Superintendent-I Shri Ranjit Ray Sankar Kr. Chanda Sr. Doc. Assistant Doc. Assistant Shri Basudev Dafadar Shri Tapash Kr. Das Doc. Superintendent Helper-E Shri Sukhendu Bikash Mishra Doc. Assistant Central Scientific Services Shri Nirmalya Dutta Shri Sumit Ray Technical Officer-II Technical Officer Shri Swapan Kr. Sarkar Shri Pijush Kumar Das Technical Officer-II Technical Superintendent Dr Sasanka Maji Shri Tapas Bala Technical Officer-II Technical Superintendent Shri Tapash Kr. Das Shri Satinath Paul Assistant Registrar Technical Superintendent Shri Subrata Ghosh Dr Bholanath Mondal Asst. Registrar-II Technical Officer Shri Sridip Kumar Bera Shri Mithu Mondal Technical Assistant-B Helper-E Workshop Shri Somnath Bandyopadhyay Shri Jhankarnath Ghosh Workshop Superintendent-II Technical Superintendent Shri Nishir Roy Shri Pratap Tarafder Technical Superintendent-II Technical Officer Shri Ashim Mullick Shri Sushanta Mistry Technical Superintendent-II Technical Superintendent 184 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

Workshop Shri Ramesh Kumar Shri Partha Rana Technical Superintendent Technical Superintendent Shri Sankar Halder Shri Kageshar Karan Technical Superintendent Helper-E Shri Dharmendra Singh Jadav Shri Biswajit Saha Technical Superintendent Helper-E Shri Samar Krishna Paul Shri Prabir Mondal Technical Superintendent Helper-E Shri Shayam Sundar Prasad Shri Prabir Debnath Technical Superintendent Helper-E Shri Tarapada Maity Shri Goutam Das Junior Technician Helper-E Shri Manoj Saha Shri Thakurdas Biswas Helper-E Helper-E Canteen Shri Subhash Mondal Shri Bipad Sardar Wash Boy cum Bearer Wash Boy Cum Bearer Shri Sambhu Nath Mitra Smt Bishaka Barik Wash Boy cum Bearer Wash Boy cum Bearer Shri Tapan Kr Bera Cook Annual Accounts Audit Report & Budget 186 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE BALANCE SHEET AS AT MARCH 31, 2017

(Amount in Rupees) CORPUS/CAPITAL FUND AND LIABILITIES Schedule Current Year Previous Year Corpus/Capital Fund 1 1,37,46,13,387.00 1,01,95,97,896.00 Reserves and Surplus 2 34,27,61,829.00 34,58,31,843.00 Earmarked/ Endowment Fund 3 35,87,10,212.00 40,56,39,178.00 Secured Loans and Borrowings 4 0 0 Unsecured Loans and Borrowings 5 0 0 Deferred Credit Liabilities 6 0 0 Current Liabilities and Provisions 7 10,23,34,537.00 10,18,47,674.00 Total 2,17,84,19,965.00 1,87,29,16,591.00 ASSETS Fixed Assets at written down value 8 1,39,02,81,992.00 1,31,97,34,679.00 Investments - For Earmarked/Endowment Fund 9 1,13,400.00 1,13,400.00 Investments - Others 10 - Current Assets, loans, Advances etc. 11 78,80,24,573.00 55,30,68,512.00 Miscellaneous Expenditure (to the extent not written off or adjusted) Total 2,17,84,19,965.00 1,87,29,16,591.00 Significant Accounting Policies Note. 1 Schedule 1 to 23 forming Part of Accounts - As per our attched report of even date.

For, K. Sharma & Co. Chartered Accountants FRN No. 304025E

A. K. Chakraborty Partner Membership No. 014590

Sd / S. N. Moulik Sd/ S. Bhattacharya Acting Registrer Director, IACS IACS, Jadavpur Jadavpur, Kolkata – 700 032 Kolkata – 700032 ANNUAL REPORT 2016-2017 187

INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE INCOME AND EXPENDITURE ACCOUNT FOR THE YEAR ENDED MARCH 31 2017

(Amount in Rupees) INCOME Schedule Current Year Previous year Income from Sales/Services 12 20,63,791.00 14,71,566.00 Grants/Subsidies 13 71,57,76,441.00 69,53,56,000.00 Fees/Subscriptions 14 1,96,335.00 67,900.00 Income from investments ( Income on Investmentfrom earmarked/endowment Funds transferred to Funds 15 30,99,623.00 35,37,040.00 Income from Royalty, Publication etc. 16 32,71,569.00 32,56,693.00 Interest Earned 17 94,75,553.00 99,39,239.00 Other Income 18 12,79,157.00 24,06,051.00 Increase/decrease in stock of finished goods and work-in-progress 19 - - Overhead Money recived from Project 18,22,736.00 48,46,030.00 Total (A) 73,69,85,205.00 72,08,80,519.00 EXPENDITURE Establishment Expenses 20 52,36,10,557.00 52,86,65,429.00 Other Administrative Expenses etc. 21 14,14,72,735.00 13,94,58,200.00 Expenditure on Grants, Subsidies 22 88,470.00 1,97,094.00 Consumables 3,02,61,236.00 1,68,47,335.00 Prior Period Expenses Annual Maintenance Expenses 1,37,56,136.00 46,08,013.00 Depreciation ( Net total at the Year end-corresponding to Sch.8 ) 9,30,07,232.00 Overhead Money transferred to IACS Overhead A/C as per Sch 3 - 48,46,030.00 Total (B) 80,21,96,366.00 69,46,22,101.00 Balance being excess of Income over Expenditure ( A -B ) (6,52,11,161.00 ) 2,62,58,418.00 Transfer to Special Reserve (Specify) Transfer to/from General Reserve Balance being Surplus ( Deficit) Carried to Corpus/Capital Fund (6,52,11,161.00 ) 2,62,58,418.00 Significant Accounting Policies Note 1. Schedule 1 to 23 forming part of Accounts. As per our attched report of even date.

For, K. Sharma & Co. Chartered Accountants FRN No. 304025E

A. K. Chakraborty Partner Membership No. 014590

Sd / S. N. Moulik Sd/ S. Bhattacharya Acting Registrer Director, IACS IACS, Jadavpur Jadavpur, Kolkata – 700 032 Kolkata – 700032 188 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE RECEIPTS AND PAYMENTS ACCOUNT FOR THE YEAR ENDED MARCH 31, 2017

(Amount in Rupees) Receipts Current Year Payments Current Year Opening Balances Expenses 1. Bank Balances : a) Establishiment Expenses With Scheduled Banks : (corresponding to Schedule-20) 52,36,10,557.00 a) General : b) Administrative Expenses Current Account with : (corresponding to Schedule-21) 12,15,42,538.00 SBI, Jadavpur Univ. 6,51,017.00 c) AMC for Laboratories - Gneral 1,28,52,853.00 SBI, Kolkata Main 4,33,427.00 d) Consummables - General 3,01,73,312.00 SBI, Jadavpur Univ. Flexi A/c Union Bank Ballygunge Br. e) Revenue Expenses on A/C of Project 18,43,57,155.00 Union Bank Main Branch 45,440.00 f) Revenue Expenses on A/C of TRC 36,00,650.00 b) Project Fund : Current Account with: Payments made against fund for various projects SBI, Jadavpur Univ. 3,75,280.00 Expenses incurred for Spl. End. Fund - 88,470.00 IACS Cheques in hand Investments and deposits made c) Union Bank - Ballygunge Br. 10,01,45,082.00 Out of earnarked/Endowment funds Others (to be specified) c) TRC A/C TDR with SBI -( Fixed Deposit with Bank) Union Bank of India 23,92,00,000.00 2. Cash Balances : a) General : Out of Own funds(Investments-Others) Imprest Cash 11,65,000.00 TDR with Union Bank Cash in hand Income Tax Receivable A/C TRC 20,82,383.00

Total of P/01 34,20,15,246.00 Total of P/01 87,83,07,918.00 B/F P/01 34,20,15,246.00 B/F P/01 87,83,07,918.00 Grants Received Expenditure on Fixed Assets & Capital Work-in-progress 1. Central Government - Plan 1,03,22,00,000.00 Purchase of Fixed Assets 8,66,24,559.00 Non - Plan 50,00,000.00 Expenditure on Capital Work-in- progress 2. State Government - Plan 3,66,00,000.00 Capital Expenditure A/C Project 6,73,84,196.00 Non - Plan 62,01,000.00 Refund of surplus money/Loan Grant rec. on a/c of Project 24,14,93,020.00 To the Government of India To the State Government To other providers of funds Interest Received: Infrastructure A/C TRC (Deposit with 5,01,72,510.00 CPWD) General A/Cs Equipment A/C TRC 9,86,654.00 Interest on TDR (Project) 38,86,064.00 Amount Borrowed Interest on House Building 10,91,397.00 Term Deposit Interest on Research Endowment Fund 9,482.00 Any other receipts Interest on Vehicle Advance 16,431.00 General A/Cs (Loans and Advances) Interest on TDR against Margin Money 15,27,049.00 Advance - General 1,94,56,406.00 Interest on Computer Advance 44,264.00 Advance - LTC 15,83,704.00 Interest on Security Deposit (CESC) Advance - A/C TRC 10,06,675.00 Interest on TDR on Short Term Deposit 67,96,412.00 Advance - Vehicles 2,04,000.00 Interest on Term Depoist - A/C TRC 1,25,31,373.00 Advance - Computer 90,000.00 Other Income: Income from Sales Advance - Puja 16,10,000.00 and Services ANNUAL REPORT 2016-2017 189

INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE RECEIPTS AND PAYMENTS ACCOUNT FOR THE YEAR ENDED MARCH 31, 2017

(Amount in Rupees) Receipts Current Year Payments Current Year General A/Cs Advance - House Building - Analytical Charges 16,03,871.00 Accounts Receivable 12,96,92,616.00 Sale of Liquid Nitrozen 1,30,900.00 Contribution to GSLI 2,35,022.00 Photo Copy Charges 12,721.00 Security Deposit by IACS - Miscellaneous Receipts 12,79,157.00 TDR with Union Bank 87,89,00,000.00 Ordinary Membership Subscription TDR with SBI 7,34,00,000.00 Income from TDS Refund Margin Money A/C TRC 11,27,38,840.00 Creche Receipts 50,700.00 Margin Money 7,96,46,983.00 Rent for Guest House 2,65,599.00 Income Tax Receivable (TDS on A/C of S&T Consultancy) Overhead from Project 18,22,736.00 Advance - Project 55,91,007.00 Hostel Seat Rent 30,90,141.00 TDR - Project 7,92,00,000.00 Publication Income - IJP 28,43,967.00 Margin Money (Project) 7,20,53,367.00 Income from Scientific & Technical 40,590.00 Unclaimed GPF 41,957.00 Consultancy Analytical Charges - Project Advance A/c CPWD 8,00,00,000.00 Total of P/02 1,70,05,52,120.00 Total of P/02 2,61,89,26,414.00 B/F P/02 1,70,05,52,120.00 B/F P/02 2,61,89,26,414.00 General A/Cs (Current Liabilities) Amount Borrowed Caution Money- Int.Phd. 45,000.00 Term Deposit (SBI) 7,34,00,000.00 Earnest Money 10,72,130.00 Any other receipts Security Deposit from Contractors 57,04,657.00 General A/Cs (Loans and Advances) Security Deposit A/C Project 50,000.00 Advance - General 1,84,66,200.00 Earnest Money A/C TRC 6,600.00 Advance - LTC 16,58,737.00 General A/Cs (Other Liabilities) Advance - Medical Genreal Fund 1,44,30,86,782.00 Advance - Vehicles 1,14,306.00 House Building Loan from Union Bank 38,63,274.00 Advance - Computer 1,42,834.00 Income Tax Deducted from Salary 3,71,66,341.00 Advance - Puja 18,86,000.00 Income Tax Deducted U/S 194C 13,19,373.00 Advance - House Building 18,06,633.00 Income Tax Deducted U/S 194J 21,54,810.00 Accounts payable 12,88,12,858.00 Income Tax Deducted U/S 194A 42,679.00 Contribution to GSLI 2,35,287.00 Insurance Premium under SS Scheme 35,35,761.00 Security Deposit by IACS Professional Taxes 6,59,160.00 TDR with Union Bank 83,87,30,000.00 SAE Co-operative Credit Society 1,32,71,056.00 Unallocated Receipts - Project 7,22,00,000.00 SAE Benefit Society 28,890.00 Imprest Cash SAE Provident Fund 4,51,24,668.00 Margin Money 3,34,43,796.00 Sales Tax deducted from Contractors 8,07,715.00 Performance Security Deposit - Project 6,50,000.00 Labour Welfare Cess 96,519.00 Advance - Project 43,40,068.00 Attachment of pay 1,200.00 TDR - Project 10,41,00,000.00 Service Tax 13,46,422.00 Margin Money (Project) 4,40,76,047.00 Inteerest on TDS Contribution to GSLI - Project 315.00 Outstanding Liabilities 1,15,903.00 Hostel Seat Rent - Project 29,57,641.00 Hostel Seat Rent - Project 29,89,141.00 General A/Cs (Current Liabilities) Income Tax (Project) 4,78,991.00 Caution Money- Int.Phd. 96,000.00 Contribution to GSLI -Project 315.00 Earnest Money 7,89,973.00 Unallocated Payments - Project 14,50,383.00 Security Deposit from Contractors 20,38,663.00 CMS (Project) 3,05,200.00 Unclaimed GPF - Loan Refund to Superannuation Fund 8,60,00,000.00 Total of P/03 3,03,04,97,478.00 Total of P/03 4,26,96,49,384.00 B/F P/03 3,03,04,97,478.00 B/F P/03 4,26,96,49,384.00 General A/Cs (Other Liabilities) Closing Balances Genreal Fund 1,44,27,02,811.00 1. Bank Balances : House Building Loan from Union Bank 38,63,274.00 With Scheduled Banks : 190 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE RECEIPTS AND PAYMENTS ACCOUNT FOR THE YEAR ENDED MARCH 31, 2017

(Amount in Rupees) Receipts Current Year Payments Current Year Income Tax Deducted from Salary 3,71,66,341.00 a) General : Income Tax Deducted U/S 194C 10,33,887.00 Current Account with: Income Tax Deducted U/S 194J 19,99,370.00 SBI, Jadavpur University Br. 16,50,185.00 Income Tax Deducted U/S 194A 42,679.00 SBI, Main Branch 4,33,427.00 Insurance Premium under SS Scheme 35,35,983.00 Union Bank, Ballygunge Branch Professional Taxes 6,58,730.00 Union Bank, Main Branch 8,58,11,483.00 SAE Co-operative Credit Society 1,32,71,056.00 SBI - Flexi A/C SAE Benefit Society 28,890.00 b) Project Funds: SAE Provident Fund 4,51,24,668.00 SBI, Jadavpur University Branch 65,23,051.00 Sales Tax deducted from Contractors 6,64,885.00 SBI, Main Branch Labour Welfare Cess 1,67,600.00 Union Bank, Ballygunge Branch 15,46,25,046.00 Attachment of pay 1,200.00 C) TRC A/C Service Tax 4,15,760.00 Union Bank Ballygunge 8,11,53,673.00 Seecurity Deposit A/C TRC 17,251.00 Grant Receivable from Govt. of W.B - Income Tax Receivable 70,080.00 Accrued Income from Publication CMS (TRC) 500.00 2. Cash Balances : Inome Tax U/s 194C (TRC) 11,961.00 a) General : Sales Tax deducted from Contractors A/C 5,175.00 Imprest Cash 5,60,000.00 TRC Outstanding Liabilities Cash in hand Income Tax (Project) 4,79,235.00 Imprest Cash TRC 20,000.00 Labour Welfare Cess A/C TRC 1,725.00 CMS (Project) 3,05,100.00 3. Bank Balance - General (O/D) 3. Bank Balance - General (O/D) Union Bank Ballygunge (Opening) 2016 4,12,44,998.00 -17 Union Bank Ballygunge (Closing) 5,96,05,608.00 2016 -17 Total 4,64,16,71,247.00 Total 4,64,16,71,247.00 Schedule 1 to 23 forming part of Accounts As per our attached report of even date.

Sd / S. N. Moulik Sd/ K. Sharma Sd/ S. Bhattacharya Acting Registrer For K. Sharma & Co. Director, IACS IACS, Jadavpur Chartered Accountants Jadavpur, Kolkata – 700 032 Kolkata – 700032 ANNUAL REPORT 2016-2017 191 P- 07 9,86,299 70,28,249 22,78,855 24,27,885 97,05,313 as on 2,14,11,755 1,43,83,506 3,43,58,669 1,01,93,409 21,28,15,700 11,00,00,000 21,78,01,672 12,85,46,435 32,42,45,000 31,55,11,000 31.03.2016 1,31,97,34,679 1,39,02,81,992 1,39,02,81,992 NET BLOCK 1,15,60,54,537 (Amount in Rupees) - - 7,47,701 17,38,171 16,42,090 2,76,50,670 1,24,32,471 1,52,18,199 4,86,13,418 1,42,20,150 29,68,80,401 80,10,89,006 10,74,49,014 45,07,36,836 17,59,41,626 1,02,95,42,831 1,12,56,20,077 1,12,56,20,077 Total Depreciation Depreciation Total - - 51,910 2,04,942 2,25,071 26,37,554 10,87,080 15,50,474 58,25,130 88,72,665 65,79,567 year 9,69,49,589 9,60,77,246 9,60,77,246 2,29,64,563 7,04,75,129 3,46,32,319 1,40,83,525 DEPRECIATION DEPRECIATION Depreciation for the Depreciation - - 6,95,791 15,33,229 14,17,019 76,40,583 2,50,13,116 1,13,45,391 1,36,67,725 4,27,88,288 9,85,76,349 93,25,93,242 27,39,15,838 73,06,13,877 41,61,04,517 16,18,58,101 on 01.04.15 1,02,95,42,831 1,02,95,42,831 Depreciation as Depreciation 40,17,026 40,69,975 17,34,000 Total Total 4,90,62,425 1,94,60,720 2,96,01,705 8,29,72,087 2,44,13,559 50,96,96,101 11,00,00,000 11,71,54,327 66,85,38,508 30,44,88,061 32,42,45,000 31,55,11,000 2,03,37,66,510 2,51,59,02,069 2,51,59,02,069 1,95,71,43,543 Sd/ S. Bhattacharya IACS Director, Kolkata – 700 032 Jadavpur, ------the year Deduction during

- GROSS BLOCK 8,58,488 8,68,761 25,94,745 17,36,257 23,04,967 26,99,198 75,80,405 35,89,429 year 1,22,69,262 8,00,00,000 4,31,03,731 1,16,14,061 40,76,04,058 16,66,24,559 16,66,24,559 15,17,60,552 Addition during the Sd/ K. Sharma For K. Sharma & Co. Accountants Chartered 31,48,265 17,65,008 17,34,000 4,64,67,680 1,77,24,463 2,87,43,217 3,00,00,000 8,02,72,889 1,27,99,498 49,74,26,839 10,95,73,922 62,54,34,777 30,08,98,632 32,42,45,000 31,55,11,000 01.04.2016 1,94,16,73,452 2,34,92,77,510 2,34,92,77,510 1,80,53,82,991 Balance as on INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE FOR THE CULTIVATION INDIAN ASSOCIATION

Previous Year Previous TOTAL Cumulative Sub Total BOOKS Sub Total OFFICE EQUIPMENT FURNITURE & FIXTURE (Incl. other & Fixture) Furniture Capital Work in Progress - CPWD in Progress Capital Work Sub Total TUBEWELL & W. SUPPLY TUBEWELL & W. VEHICLES ELECTRICAL INSTALLATION COMPUTERS PLANT & MACHINERY PLANT & MACHINERY RESIDENTIAL BUILDING BUILDING & SHEDS Software - Oracle Software LAND (Baruipur) LAND (Jadavpur) On the basis of decision Finance Committee IACS in its me eting held on 19.06.2007 , updated value Fixed Assets has been adopted Final Accounts 2006-07 A/C Rs. 9,30,07,232.00 and 30,70,014.00 against Revaluation Reserve calculated during the year has been charged to Income & Expenditure amount of Depreciation Total on books has been charged @ 10% p.a. Act, Depreciation by the Income Tax other than Books has been charged at the rate as provided Depreciation Note: 14 13 12 11 10 9 8 7 6 5 4 3 2 1 SCHEDULE 8 - FIXED ASSETS b) c) Sd / S. N. Moulik Acting Registrer IACS, Jadavpur Kolkata – 700032 Fixed Asset Schedule as at March 31st, 2017 Fixed Asset Schedule as at March a) 192 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

K. SHARMA & CO. 1/B, Old Post Office Street, Room No – 8, (First Floor), CHARTERED ACCOUNTANTS Kolkata – 700001, Phone: 2248-7902, E-mail: [email protected]

INDEPENDENT AUDITORS’ REPORT

To The Management of Indian Association for the Cultivation of Science

1. As per further amendment of Annual Accounts of IACS, we report on the Financial Statements We have audited the accompanying financial statements of INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE (IACS), which comprise the Balance Sheet as at March 31st, 2017 and the Income & Expenditure Account and Receipts & Payments Accounts for the year ended, and a summary of other explanatory notes and information. 2. Management’s Responsibility for the Financial Statements Management is responsible for the preparation of these financial statements that give a true and fair view of the financial position, financial performance of the Institute in accordance with the generally accepted accounting practices followed in India. This responsibility includes the design, implementation and maintenance of internal control relevant to the preparation and presentation of the financial statements that give a true and fair view and are free from material misstatements, whether due to fraud or error. 3. Auditor’s Responsibility Our responsibility is to express an opinion on these financial statements based on our audit. We conduct our audit in accordance with the standards in Auditing issued by the Institute of Chartered Accountants of India. Those standards require that we comply with the ethical requirements and plan and perform the audit to obtain reasonable assurance about whether the financial statements are free from material misstatement. An audit involves performing procedures to obtain audit evidence about the amounts and disclosures in the financial statements. The procedures selected depend on the auditor’s judgement, including the assessment of the risks of material misstatement of the financial statements, whether due to fraud or error. In making those risk assessments the auditor considers internal control relevant to the Association’s preparation and fair representation to the financial statements in order to design audit procedures and are appropriate in the circumstances. An audit also includes evaluating the appropriateness of accounting policies used and the reasonableness of the accounting estimates made by the management as well as evaluating the overall presentation of the financial statements. We believe that the audit evidence we have obtained is sufficient and appropriate to provide a basis of our audit opinion. 4. Opinion 1) The IACS charged depreciation directly to the Schedule 1 - Corpus/Capital Fund instead of charging it to Income and Expenditure Account. Now the IACS accepted the observations raised by us and charged depreciation to Income and Expenditure Account on the basis of the decision taken by the Finance Committee of IACS meeting held on 15th September, 2017. 2) Fixed Assets Register has been updated till 31.03.17 and physical verification of fixed assets was done periodically. 3) There is a system of pre-audit of all expenses made by the Association. However there is a scope for improvement of the Internal Control Procedures, for better compliance with the Annual Budget. 4) Deficit for the year Rs.6,52,11,161. 5) A sum of Rs 8,60,00,000 was earlier shown as ‘Loan from Superannuation Fund’ under Current Liabilities which remained outstanding for more than 3 years, causing loss of Interest to the employees’ benevolent fund. During the course of audit for the year 2016-17, it was observed that the above loan had been refunded to IACS Superannuation fund through voucher dated 31.03.17. The amount receivable as on 31.03.17 by the Superannuation Fund has been shown as “Amount in transit” of `8,60,00,000.

ANNUAL REPORT 2016-2017 193

6) Accounts Payable balance as on 31.03.17 includes the following balances which are lying unadjusted/unpaid for more than 2 years:- Person/Party Date Amount (J) SEC Conference Not known 115,015 Sri Manas Ranjan Chakraborty Not known 8,010 Amar Singh Harijon 26.02.10 7,386 DST (New Delhi) 28.09.11 32,637 DST (New Delhi) 28.09.11 1,25,000 Sanjib Naskar 05.08.14 7,18,152 Indian statistics 12.01.15 51,451 Necessary follow-up action should be taken to arrange for proper payments to the respective parties relating to the above balances. 7) Payments made to various grades of employees stated to be as per 6th Pay Commission, which are not in conformity with the scale of pay mentioned in the Bye-Laws of the IACS. 8) In case of General Advances, there were instances where advances are pending unadjusted for more than 2 years, which needs to be followed up with the respective parties and adjusted. Some instances are as follows:-

Person/Party Chq No Date Amount (J) Department Smt. Jhimli Mukherjee 600763 17.10.12 37,500 Administration Dr. Arnab sen 605497 19.11.14 12,000 Theoretical Physics Prof. Sourav Roy 602494 05.08.13 98,465 Theoretical Physics Dr. Abhishek Dey 605867 21.01.15 1,50,000 In-organic Chemistry M/s Chief Controller of Accounts NDLS D/D 14.03.14 4,82,890 Electrical Section Dr. Biman Jana 605196 25.09.14 49,083 Physical Chemistry IABS 2015 605890 29.01.15 1,00,000 Conference M/s DHL Express (I) Pvt Ltd 605276 29.09.14 32,000 Administration Sri Tarun Kabasi 457050 14.05.15 8,710 Administration 9) In case of Project Accounts, balances in certain heads of accounts pertaining to previous years had remained static in the year 2016-17. Necessary steps may be taken to adjust the above. A few instances are as follows:

Details Balance (J) DST-WOS Quantum... (1,887.33) Gases (SD) DST-WOS—Develop.... (21,068.00) Hydrogen(SM) Conducting...... (58,599.00) Stimulation (Rupali) In our opinion and to the best of our information and according to the explanation given to us, the financial statements, together with the notes mentioned above, give a true and fair view in conformity with the accounting principles generally accepted in India. i) In case of the Balance Sheet of the State of Affairs of the INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE as at 31st March, 2017. ii) In case of Income & Expenditure Account, Excess of Expenditure over Income for the year ended on that date. iii) In case of Receipts and Payments Accounts, of the transactions during the year ended on that date.

For K. Sharma & Co. Chartered Accountants FRN - 302045E

(A. K. Chakrabarty) Place: Kolkata Partner Date: 22.09.17 Membership No.- 014590 194 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

REPORT ON OTHER LEGAL AND REGULATORY REQUIREMENTS

As required on the above matters, we report that: a) We have sought and obtained all the information and explanation which to the best of our knowledge and belief were necessary for the purpose of our audit. b) In our opinion proper books of accounts as required by law have been kept by the Association so far as appears from our examination of those books. c) The Balance Sheet and the statement of Income and Expenditure dealt with by this report are in agreement with the books of account. d) In our opinion, the aforesaid financial statements comply with the accounting standards.

For K. Sharma & Co. Chartered Accountants FRN - 302045E

(A. K. Chakrabarty) Place: Kolkata Partner Date: 22.09.17 Membership No.- 014590 ANNUAL REPORT 2016-2017 195

NOTE: 1 SIGNIFICANT ACCOUNTING POLICIES, PRACTICE AND CONTROL

A. ACCOUNTING CONVENTION AND CONCEPT: The financial statements are prepared under the historical cost convention on accrual basis, excepting retirement benefits, including grants (both recurring and non recurring) from the Government of India and Government of West Bengal. B. ALLOCATION OF RECEIPTS AND PAYMENTS: The allocation of Receipts and Payments, Income and Expenditure between plan and non-plan heads have been made by the Association as per Association’s budget and practice. Grant from the Government for both Plan & Non-Plan expenditure and Plan & Non-Plan Grant from the Government of West Bengal during the financial year are credited to Income & Expenditure Account, except the Capital grant which has been directly transferred to Corpus Fund. C. FIXED ASSETS AND CAPITAL WORK IN PROGRESS: i) Fixed Assets and Capital work in progress are stated at cost of acquisition or construction less accumulated depreciation. Cost of acquisition is net of interest on capital advance and is inclusive of freight, duties, taxes & other incidental expenses. ii) Capital work in progress including building under construction, plant and machinery, equipment pending installation and architect fees are directly debited to the respective assets head. iii) Provision for Stamp Duty payable for immovable property is made as and when conveyance, deed for the properties is executed and the liability is ascertained. iv) Grant received towards specific fixed asset are adjusted from the Gross Value of the assets or capital work in progress, as the case may be. D. DEPRECIATION/ AMORTIZATION: Depreciation on Fixed Assets is provided on “Written Down Value Method” at the rates and in the manner prescribed in the Income Tax Act, 1961. Depreciation on addition of Fixed Assets is considered on half-yearly basis. From this year Depreciation has been charged to the Income and Expenditure Account instead of charging it to Schedule 1-Corpus/Capital Fund Account as per recommendation of the Finance Committee of IACS on meeting held on 15th September, 2017. E. IMPAIRMENT OF ASSETS: An asset is treated as impaired when the carrying amount of assets exceed the recoverable value and impairment loss is charged to the Income and Expenditure Account in the year in which an asset is identified as impaired. F. RETIREMENT BENEFITS: i) Gratuity of Employee is accounted for on cash basis based on valuation made by the department as per rules and provisions of Payment of Gratuity Act. ii) Leave Salary Payable to Employee is accounted for on cash basis based on valuation made as per extent rules of the Association. G. SUBSCRIPTION FOR LIBRARY: Subscription paid for library journals are booked to Library Account at the time of payment irrespective of receipt of the related journal. H. INCOME FROM GRANTS AND OTHER SERVICES: Grants received from Governments are accounted for as income of the Association. a) Recognition of Government Grants: Government Grants available to the Association are considered for the inclusion in accounts in accordance to AS 12, where: i) There is reasonable assurance that the Association will comply with the condition attached to them, and ii) Such benefits have been earned by the Association and it is reasonably certain that the ultimate collection will be made. b) Income from Other Services: Sales proceeds received consultancy and technical service, fees received and interest incomes are also treated as income of the Association. I. NOTES ON ACCOUNTS: i) The Association grants House Building Loans as per laid down principles against suitable documentation at a prescribed rate of interest. Such interest is payable after repayment of the principal amount. ii) Fixed Asset register has been written up to 31.03.17. Physical verification of fixed assets has been carried out periodically. iii) No known case of fraud has been there during the year ended on 31.03.17. 196 INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE KOLKATA

INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE BUDGET AT A GLANCE

EXPENDITURE Provisional Expenditure (Unaudited) Projected Budget 2016-17 as approved Projected Budget 2017-18 as approved Projected Revised Budget Projected Budget 2016-2017 by F.C. Dt-28/08/2015 by F.C. Dt-01/07/2016 2017-2018 2018-2019 Non Plan Plan Total Non Plan Plan Total Non Plan Plan Total Non Plan Plan Total Non Plan Plan Total ESTABLISHMENT Salary, - 5,249.89 5,249.89 - 6,308.53 6,308.53 - 7,947.80 7,947.80 - 6,764.14 6764.14 - 8,116.81 8,116.81 Fellowship, Pension, Superannuation, etc ESTABLISHMENT Other essential 808.11 808.11 - 1,150.60 1150.60 - 1,205.65 1,205.65 - 1030.93 1030.93 - 1,237.11 1,237.11 Establishment expenditure (electricity,telephone,medical etc,) CONTINGENCIES (Office - 244.67 244.67 - 579.17 579.17 642.10 642.10 - 491.91 491.91 - 590.29 590.29 Expenses) CONSUMABLES (Laboratory 112.01 396.55 508.56 207.00 1,199.00 1,406.00 207.00 990.75 1,197.75 180.00 826.15 1006.15 200.00 991.31 1,191.31 Expenses, Library, Workshop, Research Publication, Civil Maintenance,etc.) TOTAL 112.01 6,699.22 6,811.23 207.00 9,237.30 9,444.30 207.00 10,786.31 10993.31 180.00 9,113.13 9,293.13 200.00 10,935.54 11135.54 Books & Journals 122.98 122.98 270.00 270.00 270.00 270.00 250.00 250.00 300.00 300.00 Equipment & Research Facilities 303.38 303.38 850.00 850.00 850.00 850.00 900.00 900.00 900.00 900.00 (including AMC for High Value Equipment) Building (Works with CPWD and 759.05 759.05 100.00 100.00 500.00 500.00 712.00 712.00 500.00 500.00 Development of Present campus) Electrical augmentation ,etc. 100.00 100.00 175.00 175.00 175.00 175.00 168.00 168.00 175.00 175.00 Implementation of Open Acess 510.00 510.00 510.00 510.00 300.00 300.00 510.00 510.00 Publication Office Computerisation,Software/ 112.03 112.03 100.00 100.00 300.00 300.00 250.00 250.00 300.00 300.00 Digitisation of Old Record Installation of Safety Measures 70.00 70.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 Science Outreach 19.00 19.00 300.00 300.00 300.00 300.00 100.00 100.00 300.00 300.00 Payment of Margin Money 773.47 773.47 Development of Baruipur Campus 860.00 860.00 2,000.00 2,000.00 - - Solar Panel at present Campus 5.00 5.00 100.00 100.00 200.00 200.00 100.00 100.00 GRAND TOTAL 112.01 9,824.13 9,936.14 207.00 11,642.30 11,849.30 207.00 15,891.31 16,098.31 180.00 12,093.13 12,273.13 200.00 14,120.54 14,320.54 RECEIPTS Provisional Receipt (Unaudited) PROJECTED BUDGET PROJECTED REVISED BUDGET PROJECTED BUDGET (Expected figures for 2016-2017 2017 -18 2017-2018 2018-2019 (Provisional) 2016-17 & 2017-18) Non-Plan (A) Plan (B) Total (A+B) Non-Plan (A) Plan (B) Total (A+B) Non-Plan (A) Plan (B) Total (A+B) Non-Plan (A) Plan (B) Total (A+B) Opening Balance 41.74 41.74 Government of India 50.00 10847.00 10897.00 157.00 12445.83 12602.83 135.00 11743.13 11878.13 150.00 13770.54 13920.54 Government of West Bengal 62.01 366.00 428.01 50.00 450.00 500.00 45.00 350.00 395.00 50.00 350.00 400.00 Interest from Deposits 87.94 87.94 Less: Closing Balance 1518.55 1518.55 TOTAL 112.01 9824.13 9936.14 207.00 12895.83 13102.83 180.00 12093.13 12273.13 200.00 14120.54 14320.54

Note: 1. IACS own generated Income of (Rs.73.70 Lakh + IJP 31.11 lakh)=104.81(Approx) (including hostel seatRent Of Rs.30.91 Lakhs) not reflected in the above Budget. 2. Loan from IACS Superannuation Fund A/C being shown as Loan in our Final Accounts from the financial year 2012-13 Rs.8.60Cr has been refunded on receipt of the same from DST in 2016-17 3. Salary and Pension has been considered in the framework of 6th CPC 4. Comitted Expenditure for 2016 - 17 i.e open Purchase Orders will be Rs. 70.00 Lakhs approximately. 5. Incidental Charges for Purchase made during the year may be Rs. 30.00 Lakhs approximately. ANNUAL REPORT 2016-2017 197