UCL DEPARTMENT OF CHEMISTRY

NEWSLETTER 2014

UCL Chemistry NEWSLETTER

Contents Welcome to the Newsletter It has been another exciting year for the Chemistry Department. We were awarded the Athena SWAN Bronze Award 1. Introduction in recognition for our commitment to advancing women’s careers in science, technology, engineering, maths and 2. Staff Highlights and News medicine (STEMM). Many thanks to the self assessment team (Nicola Best, Professor Claire Carmalt, Meetal Hirani, Sacha Noimark, Dr Sue Perkin, Elizabeth Read, Anna Roffey and Dr Tom Sheppard) who were dedicated to getting 3. Student Highlights and News this award. We are now working towards the Silver Award with the team being led by Professor Helen Fielding.

4. Alumni Matters This year the department has grown, we have made two new lecturing academic appointments to the Physical Chemistry section; Dr Giorgio Volpe joined us in September and Dr Tracey Clarke will be joining us in March 2015. 5. Research Highlights We also welcomed a number of new technician appointments; Tom Bridges joins us as the new Instrument Workshop Technician, and Martyn Towner and Debbie Allen have started as Natural Sciences Lab Technicians based in 6. Grants and Awards Chemistry. Claire Gacki joined us as the Chemistry Lab Technician and Tony Bernard as our Chemistry Electronics 7. Publications Technician. Kersti Karu joined us as Mass Spectrometry Manager and Alan Philcox was appointed as the Senior Laboratory Manager. 8. Staff Ms Mary-Lou Jabore and Professor Mike Ewing have retired; we thank both of them for their work for the department. Mike in particular has been at UCL for over 30 years and held various posts, both within the department (including a record stint as Deputy Head) and the College. Ms Jadranka Butorac is the new Postgraduate Administrator taking over from Mary-Lou and we hope she enjoys the role.

Professor Catlow stepped down as Dean of MAPS Faculty at the end of August. From the end of September, Richard will be Professorial Research Associate in the Chemistry Department. We thank Richard for his work as Dean over the last 7 years. He left the faculty in a much stronger financial position and oversaw a planned expansion in staff and student numbers. He was also instrumental in a wide range of strategic initiatives including the Natural Sciences programme, the Francis Crick Institutes and the Harwell Catalysis hub. The department looks forward to working with Introduction his successor Professor Nick Brook, previously Head of Bristol Physics Department.

Many thanks go to Nicola Best for The department has also had a number of successes from EPSRC recently. One major grant that was funded was organising this year’s newsletter and under a manufacturing initiative. Professor Claire Carmalt is PI on the application (£2.3 M awarded) and the grant to Tracy Hankey at UCL Creative involves staff at Loughborough University, UCL Chemical Engineering (Fraga, Angeli) as well as Chemistry Co-Is (Darr, Media Services for her help. Parkin). Congratulations also go to Professor Nora de Leeuw who has been awarded an equipment grant for the M3S Centre for Doctoral Training. This will include a new HPLC system, an NMR upgrade, a new camera for a TEM and We hope this newsletter gives a a new computer cluster. flavour of the exciting chemistry and family atmosphere achieved in the We organised a pre-graduation event in the department at the end of August which over 100 graduating students and guests attended. We also recently celebrated undergraduate and staff successes at an awards day. This including department. It is not an exhaustive the “barking dog” experiment from Professor Andrea Sella, who has been awarded the Royal Society Michael Faraday document but can provide a number Prize; a talk on doubly charged ions including “balloon repulsion” from Professor Steve Price, who has been awarded of contact points to the wide the Schrodinger Medal from the Austrian Chemical Society; and a talk on functional materials from me in recognition variety of activity that occurs in the of being awarded the Royal Society Armourers and Brasiers’ Company prize. The awards day also paid special department. recognition to Professor Alwyn Davies who as of this year celebrated his 70th anniversary of joining UCL (he started as an Undergraduate in 1944). Alwyn gave an excellent talk on the “History of the department”; highlights included the department’s role in founding modern Japan and Ramsay’s Nobel Prize certificate which was opened carefully with white gloves.

The department as of the beginning of term has a record of 620 students studying for undergraduate or postgraduate degrees in chemistry. This is a 45% increase in total student numbers since 2010. Special thanks to Dewi Lewis, Chris Blackman, Julian Evans and Helen Hailes who have overseen both the UG and PG recruitment. This has created difficulties in providing all Masters and PG students with desks; however, we have been implementing a small desk policy that has helped.

I wish you all a healthy and productive new academic year. Professor Ivan Parkin ChemUCL 2014 STAFF HIGHLIGHTS AND NEWS STAFF HIGHLIGHTS AND NEWS

opto-electronic characterisation of state-of-the-art organic solar cells any research admin-related queries, or to enquire about help with Alan Philcox NEW APPOINTMENTS provided by a leading photovoltaic company. She was then awarded organising research or KT-related events. Thanks to her last job, she Senior Laboratory Manager Academic appointments an independent ARC Discovery Early Career Researcher Fellowship to also has experience on maximising research impact and is happy Alan is responsible for ensuring the smooth investigate loss mechanisms, such as bimolecular recombination, in to help with any editorial queries relating to research applications. operation of all aspects of the undergraduate Dr Giorgio Volpe polymer systems for photovoltaics. teaching laboratories. This includes having Giorgio Volpe has joined the Chemistry Technical Support responsibility for the co-ordination of all the Department as Lecturer in Physical Chemistry. Tracey’s research interests involve the spectroscopy and resources required to ensure that undergraduate During his academic carrier, he gained photochemistry of conjugated organic materials and exploring Debbie Allen & Martyn Towner practical teaching runs effectively. research expertise in different fields connected their potential in photonic applications. Recent research highlights Natural Sciences Lab Technicians based in Chemistry include clarifying photodegradation mechanisms in organic to photonics and nanotechnology, ranging Debbie and Martyn provide solar cells, exploring the role of charge transfer states in charge from functional nanomaterials to advanced technical support to photogeneration, and explaining why some organic solar cells are New Dean of Mathematical & microscopy, from complex optical media to the teaching of the capable of substantially thicker active layer thicknesses, a highly wavefront shaping, from optical manipulation Natural Sciences Degree desirable trait. Physical Sciences appointed to statistical physics. programme within the various laboratory based The faculty announced the appointment of Tracey’s research plans for UCL involve using time-resolved Before enrolling in a PhD program, he obtained his MSc in disciplines, principally in Professor Nick Brook as the new Dean of vibrational and absorption spectroscopy to elucidate relationships Bioengineering from the University of Padua (Italy) in 2007 defending the Department of Mathematical and Physical Sciences. The between the molecular structure of conjugated organic materials and a Master’s Thesis in optical manipulation and statistical physics. Chemistry but also as appointment is from 1st September 2014. parameters such as charge carrier lifetime, with the aim of improving He received his PhD in Photonics from ICFO in Barcelona (Spain) required in Physics and Astronomy, Earth Sciences and Life Sciences. in 2012, where he worked with Prof. Romain Quidant on enhanced the molecular design process for photonic devices. Professor Brook was Head of the School of light-matter interactions at the nanoscale based on the design Physics at the University of Bristol. As a Particle and fabrication of novel optical antennas. During his PhD, he also Tony Bernard Physicist he has worked at both the DESY visited Prof. Lukas Novonty’s Nano-Optics Group at the University of Professional Services Electronics Technician laboratory in Hamburg and at CERN in Geneva. Rochester (New York, USA), where he conducted research on near- Tony maintains, repairs, designs and builds a He was the computing project leader on the LHCb experiment during field optics and on non-linear optics. As a postdoctoral researcher Appointments very wide range of equipment used in research the vital period leading up to first data taking. He has sat on the at the Institut Langevin, ESPCI ParisTech in Paris (France), he then Administrative Support and teaching, providing advice and instruction, management board of the world’s largest computing grid, LCG. His worked with Prof. Sylvain Gigan on controlling light propagation in and supplying parts and materials to academic, research interest is in the area of Quantum Chromodynamics and he disordered media through wavefront shaping with applications in Jadranka Butorac research, technical, postgraduate students and has sat on the Physics steering groups of both the ZEUS and LHCb imaging, optical manipulation and nanophotonics. Senior Teaching & Learning the undergraduate teaching laboratories. experiments. Postgraduate Administrator His research at UCL will encompass the experimental and theoretical Jadranka is well known in the department, she He said: “I am very excited about taking up the role of Dean of study of soft matter and molecular systems that are in and out obtained her PhD here under the supervision Tom Bridges MAPS at UCL. There are fantastic opportunities within the Faculty. I of thermodynamic equilibrium in order to test hypotheses from of Professor Helen Fielding in 2011 and spent Instrument Workshop Technician am looking forward to rising to the challenges to ensure the Faculty the physical, biophysical and biochemical world. As well as the a few months working with the administrative Tom maintains, repairs, designs and builds a continues to go from strength to strength.” development of tools with unprecedented possibilities in sensing team in 2012 as the Undergraduate very wide range of equipment used in research and probing at the micro- and nanoscale, his research will develop Administrator. Jadranka will be administering and teaching, providing advice and instruction, Professsor Michael Arthur, President & Provost of UCL, said: “I am controllable model systems that offer fresh ways of looking at all the department’s postgraduate taught and and supplying parts and materials to academic, delighted that Professor Nick Brook will be joining UCL as the next existing outstanding problems from the natural, physical and research degree programmes. research, technical and administrative staff, and Dean of Mathematical and Physical Sciences. He is a distinguished biophysical world, often uncovering novel and exciting behaviors postgraduate students. scientist and has an excellent track record of success in his current that had remained hidden due to complexity of the original systems. role as the Head of Physics in Bristol. His vision for the future of Examples range from the dynamics of single molecules within the Laura Fenner the UCL MAPS faculty was outstanding and I am looking forward to Research Administrator working with him to deliver that vision.” living cell, to the development of artificial microswimmers for target Laura Fenner joined the department as our new Claire Gacki Chemistry Lab Technician delivery and bioremediation, from the origin and evolution of life as Research Administration Officer in December Claire previously worked as a science technician Professor Brook will succeed Professor Richard Catlow, FRS, who a consequence of out-of-equilibrium physics and chemistry to the 2013. As well as carrying out all research within a secondary school. Claire now provides having led the faculty since 2007 has stepped down to devote more field of movement ecology. His way to tackle these problems stems admin tasks, including entering pFACT costings technical support in the department’s teaching of his time to his research in materials chemistry and catalytic from a very interdisciplinary approach at the crossroad of soft matter, and helping with grant applications, she will be laboratories. Claire covers the three main areas science as a Research Professor in the department. nanotechnology, photonics, and statistical physics. working with Nora de Leeuw on the Research of chemistry; physical, organic and inorganic Committee as well as with Jawwad Darr on as necessary. Knowledge Transfer (KT). Laura will also be Dr Tracey Clarke helping to organise research and KT themed events in the department. Professor Richard Catlow Tracey Clarke will be joining the department Research Professor in March 2015 as a Lecturer in Physical Kersti Karu Professor Catlow stepped down as Dean of Although Laura only just joined us as a full member of staff, she Mass Spectrometry Manager Chemistry. She obtained a PhD in 2007 at MAPS Faculty at the end of August. He will is already well-known by many in the department, having first joined Kersti is responsible for the management and the University of Otago (New Zealand) under be a Research Professor in the Chemistry us as an undergraduate in 2003 and continuing as a PhD student in provision of the Mass Spectrometry Facility. the supervision of Professor Keith Gordon, Department from the end of September. We the Physical Chemistry section until 2011. After then spending a few The Facility provides a mass spectrometry studying computational chemistry and Raman thank Richard for all of his work as Dean over months working in the chemistry administration team and drafting service and is principally for molecular weight spectroscopy of oligothiophenes. After this, the last 7 years. He has left the faculty in a our initial REF impact case studies, Laura was employed by the determination and accurate mass measurement she accepted a postdoctoral research associate much stronger financial position and overseen MAPS Faculty as a Research Associate for around 1.5 years. Her role for the organic and inorganic research groups. position at Imperial College London, working with Professor James a planned expansion in staff and student numbers. He has also there was to help prepare all REF impact case studies for the faculty, There are a total of eight mass spectrometers in Durrant on the spectroscopic characterisation and analysis of been instrumental in a wide range of strategic initiatives including which included gathering evidence of impact, liaising with academics the laboratory consisting of 3 LC-MS quadrupoles, LC-MS/MS Linear organic solar cells and their constituent materials, using techniques the Natural Sciences program, the Francis Crick institute and the and beneficiaries of research results, and editing and writing case Trap, LC-ToF, MALDI-ToF, GC-MS and a high resolution magnetic such as transient absorption spectroscopy. She then moved to the Harwell Catalysis hub. The department will now be working with his studies. sector. The systems are either Thermo or Waters using Xcalibur or University of Wollongong, just south of Sydney (Australia), to take successor Professor Nick Brook. MassLynx software respectively. up an Australian Research Council Linkage Fellowship. This involved Moving forward, Laura should be your first point of contact for

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RETIREMENTS Staff Highlights Professor Stephen Professor Kwang-Leong Choy PROMOTIONS from 1st October 2014 Director of Materials Discovery Promotion to Senior Lecturer Professor Mike Ewing 2013/14 Price awarded Professor Kwang-Leong Choy (DSc, FIMMM, FRSC, CSci), joined th Retired 30 September 2014 University College London (UCL) from 1st February 2014 as Professor Dr Jamie Baker ran a Professor Helen Hailes SASP Erwin of Materials Discovery and is the Director of the new UCL Centre Promoted to Senior charity half marathon in September of Materials Discovery. This centre has been established within The Lecturer in Organic 2013 to raise money for the Multiple Schrödinger Medal Faculty of Mathematical and Physical Sciences with advanced materials Chemistry Sclerosis Society. She raised an Professor Stephen Price was awarded processing/characterisation/simulation facilities and expertise in both theoretical modelling Research areas of amazing £1,025; thank you to everyone the SASP Erwin Schrödinger Medal and experimental areas in order to integrate fundamental chemistry, physics, engineering and interest include: that supported her. biological principles across the disciplines, to create new opportunities in materials creation, at the University Centre Obergurgl • Organic Synthesis in Tyrol. This award for outstanding discovery and exploitation for the development of clean energy, nanotechnology, engineering and biomedicine technologies. The Centre aims to discover the next generation of advanced • Chemical Biology Professor Robin Clark FRS research activities was passed as part • Organic Photochemistry Mike joined the department in 1975 as a attended the American Philosophical of the “XIXth Symposium on Atomic, materials and develop sustainable synthesis/ processing technologies to tackle major global problems in energy, healthcare, telecommunication and transport. The Centre also links • Protein Modification Ramsay General Fellow. Following his Society’s Spring meeting in Philadelphia Cluster and Surface Physics (SASP)” to the active materials research activities across UCL and related hub and laboratories. Fellowship he was appointed as a Lecturer to be formally inducted therein, having by Prof. Roland Wester. Dr Jon Wilden in Physical Chemistry and promoted to been elected an International Member Professor Choy performs pioneering research into materials design and development of Promoted to Senior Lecturer in Organic Reader in 1992 and Professor in 2002. in 2010. The APS is the USA’s senior Roland Wester paid tribute to Professor novel and cost-effective processing of nanostructured thin films and thick coatings using Chemistry Mike was Deputy Head of Department society, having been founded in 1743 Price in his speech as “a pioneer in the non-vacuum and environmentally friendly Chemical Vapour Deposition (CVD) based for over 10 years, serving under David by Benjamin Franklin. Clark is only field of ion chemistry and laboratory methods, characterised by unique nanocrystalline microstructure and superior properties for Research areas of Williams, Richard Catlow, Steve Caddick the third UCL chemist to have been astrophysics. He has made in recent structural and functional applications. She has over 25 years experience in the development interest include: and Ivan Parkin until 2011. During this elected an International Member, the of surface coating and nanomaterials. She is an international leading expert in cost-effective, years with its basic research on ion- • Peptidomimetics time he also became the Vice-Dean of previous two being Edward Turner sustainable non-vacuum processing technologies. She has authored over 200 peer-reviewed molecule reactions as well as with his • Organic Synthesis the MAPS Faculty in 2001 and in 2009 he FRS in 1836 and Sir William Ramsay publications, including 2 books and 20 patents related to CVD based nanoparticles, nanowires, astrochemical laboratory experiments • Methodology was appointed as the Dean of Students FRS in 1899 (all three having been nanostructured ceramic and composite thin and thick films. She provided an invited review made outstanding contributions”. • Biologically active molecules (Academic). Mike has been a key figure Head of Chemistry at UCL). The article on “CVD of coatings” for Progress in Materials Science, published by Pergamon Press (Vol.48 [2], 2003). She has given over 80 keynote/invited lectures. Professor Choy obtained in the department and will be missed APS has c. 800 Members and c. 170 her D.Phil. in Materials Science from the University of Oxford, where she was awarded the Promotion to Reader by many; he was always plentiful with International Members, and its wide Professor Price (48) has worked for 20 Hetherington Prize and Oxford Metallurgical Society Award. Her D.Phil. thesis was on the CVD his time and set a great example of the compass embraces the Mathematical, years in the Department of Chemistry. of new ceramic protective coatings for SiC fibre reinforced Ti-based metal matrix composites Dr Scott Woodley highest academic standards. We wish Physical, Biological and Social It simulates, among other interstellar for aerospace applications. Promoted to a him well in his retirement and hope he Sciences, as well as the Humanities, processes in the laboratory and Readership in keeps in touch. Professions, Arts and Affairs. explored reactions to dust particles. She was a Violette and Samuel Glasstone Research Fellow at Oxford where she developed Physical Chemistry These processes play an important role flame assisted vapour deposition (a variant of CVD) of films, before joining Imperial College in the development of the interstellar in 1994 as a Governor’s Lecturer. In 2001, she was promoted to Reader for her pioneering Research areas of research on the innovative non-vacuum Electrostatic Spray Assisted Vapour Deposition interest include: has been medium and are ultimately essential Marion Brooks-Bartlett (ESAVD) method at Imperial College London. She has been the recipient of the Grunfeld Medal Ms Mary-Lou Jabore appointed a member of the Inclusion for the evolution of stars. The Austrian • Nanoclusters - Retired 31st August 2014 physicist Erwin Schrödinger after and Prize from Institute of Materials (UK) for the recognition of her contribution to innovative predicting their and Diversity Committee for the coating materials/processes and later she founded a spin-out company known as IMPT Ltd (1887-1961) named medal is awarded atomic and electronic structure and Royal Society of Chemistry. The to exploit the ESAVD technology. ESAVD is capable of addressing the increasing industrial traditionally at the biennial conference properties new committee, developed from the demand in cost-effective and environmentally friendly manufacturing of high performance previous Diversity Working Group, taking place at international führende ceramic films with fine structural and composition control at the nanoscale level for high value • Global optimisation - developing has the RSC’s first female president, researchers. added engineering applications. ESAVD has been exploited and is being scaled-up by industry algorithms for finding low energy Professor Lesley Yellowlees CBE for the manufacture of functional films for capacitors, selective gas separation, reforming atomic positions for nanoparticles, FRSC FInstP FRSE, as its Chair. They catalyst and thermal barrier coatings for gas turbine blades, biocompatible thin films, and 1D rods and tubes, near surfaces had their first meeting on the 8th May transparent conducting oxide films for display and solar cell applications. She was invited and interfaces, and crystals 2014 with their strategy prioritised on to publish her work on ESAVD and edited a book on “Innovative Processing of Films and • KLMC - new inhouse code currently Mary-Lou joined the department in the agenda. The committee aims to Nanocrystalline Powders” by Imperial College Press in 2002. under development (global optimisation, 2001 as the departmental receptionist. solid solutions (incl. rdf outputs), incorporate their ideas into all sections She moved to Nottingham in October 2002 to take up a Professorship in Materials. She was In her time here, she developed the exploration of ergodic regions, refinement and departments of the RSC and to the research director of the University Innovation Centre in Aero Engine with AVIC. While role to become the Post-graduate the wider community. Marion would of Shell Model (polarisation) ...) Administrator, responsible for a cohort at Nottingham, her team invented a novel Aerosol-Assisted Ion Deposition (AAID) process like as many members to get involved and developed super thin polymeric films and nanocomposite coatings with unique physical • Materials Chemistry - developing new of ~80 students. She has seen many of by emailing your views, ideas, etc. to and chemical properties. This method is being exploited to put sub-micron/micron thick interatomic potentials that can her students graduate with their PhD’s [email protected], following high performance polymeric coatings on steels to create high value added products, as reproduce observed structures and is now looking forward to spending the committee on Twitter @RSC_ well as developing solid lubricant coatings and high performance nanocomposite coatings her time at the Arts (Art Galleries, Diversity and/or herself @marionbb24. for tribological applications, ceramic coatings and next generation multifunctional films for Dr Simon Banks Theatre, Cinema). deicing, antifogging and anti-lightning applications in aerospace. She is working closely with Promoted to numerous leading research institutions and industrial companies to exploit the sustainable and Principal Teaching We wish her a fruitful retirement. cost-effective ESAVD and AAID technologies, as well as novel coating materials for engineering Fellow applications. Over the past four years, Professor Choy’s work has led to her participation in numerous multimillion pounds interdisciplinary research programmes. These include EU, Research areas of EPSRC and government flagship grants, as well as research contracts and collaboration to interest include: develop new engineering products with particular characteristics with industrial companies • statistical mechanics such as Rolls-Royce, Aero Engine Control, EADS, Oxford Instruments, QinetiQ, DSTL, BG/ of highly correlated Advantica and IMPT. She has been the international expert reviewer for Ontario Research Fund, systems Hong Kong Productivity Council and Greek Ministry of Education/European Commission. She • frustrated magnetism has been awarded Guest Professorships at the University of Uppsala (2001/03), Ningbo Institute • computer simulations of Materials Technology and Engineering (NIMTE, 2010/2012), and the Chinese Academy of • quantum reaction dynamics Sciences (CAS) Visiting Professorship for Senior International Scientist (2011/2013).

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Professor M. B. Ewing by Edgar Anderson Professor M. B. Ewing - 1993-2014 personal reminiscence by Professor Stephen Price Mike Ewing came to the Department as a Ramsay General Fellow in 1975, and retired at the end of the 2013-14 Session after a distinguished career in Research, Teaching and Departmental and College Administration. I taught on the second year core course (B23 for the cognoscenti) when I first arrived at UCL Chemistry in October 1993. This course was run by Mike Ewing. In my first chat with Mike about the course, he passed on much valuable He is from New South Wales, born in Sydney but raised in the small town Guyra just south of Ben Lomond in the high advice: don’t give your first ever lecture course to first year students and don’t use 24 players in an Ashes series (as plateau New England region in the north central part of the state. Guyra is at 4,300ft, higher than anything in England England had just done). Mike has continued to be an invaluable source of advice over the 21 years we have been he rightly claims (and higher than anything but Ben Nevis in Britain, he now knows). He went to school in Armidale, colleagues. His opinions on academic matters are only marginally more prescient than his thoughts on cricket. In and then to the University of New England in the same town, which had earlier been the alma mater of Dr R.A. (Bob) my first year he advised me to “come along” to his thermodynamics lectures. Now, I thought I was pretty clued up Ross. Mike received a B.Sc. degree in 1969 with the University Medal and a Ph.D. degree in 1974. There followed a on thermodynamics, having been taught by Brian Smith, the author of the “Basic Chemical Thermodynamics”. After bit less than two years of post-doctoral research on a Rothman’s Fellowship before coming to UCL, where he based his attending Mike’s first lecture, I realized how basic Professor Smith’s thermodynamics had been. Indeed, as an external research career in the thermodynamics laboratory which Professor Max McGlashan had established. An appointment examiner, I have never encountered a thermodynamics course taught with the depth and rigour of Mike’s courses at as Lecturer followed his Ramsay Fellowship, and he was promoted to Reader in 1992 and to Professor in 2002. He UCL. Mike has continued to teach thermodynamics to our undergraduates for as long as I have been at UCL, giving married Jean Wright, a geography student contemporary at Armidale in 1971, and they have a daughter Chloe. Jean his final lecture this Spring. The end of this last lecture was celebrated, in the lecture theatre and to the surprise of retired just two years ago from secondary teaching in north London where she was a Deputy Head for many years. the students, by an impromptu drinks party. During the celebration I glanced up at the screen and saw the elegantly constructed and laid-out mathematics that were typical of Mike’s hand-outs and slides. His research in Australia with Professors Robin Stokes and Ken Marsh as supervisors had been on binary liquid mixtures, determining thermodynamic excess functions, before building a Burnett apparatus for virial coefficient After two years at UCL I took over from Mike in running the Second Year teaching labs. I quickly appreciated that measurements and, somewhat unusually for this experiment, making it work. His work at UCL initially involved Mike knew how to perform all of the experiments, and had in fact designed a large number of them. I recall spending measuring the speed of sound in gases to determine thermophysical properties, using precision engineered cylindrical, that summer performing all the experiments myself, having to go back to Mike to find out the subtleties of getting the spherical, hemispherical, and annular resonators, where the technical expertise of Arthur Frye and Dave Morphit in electrochemistry experiment to work – something very few students achieved. Mike’s interest in numerical analysis, the workshop was particularly important. He received the Ivan Ackerman Prize awarded by the Fonds National de la and also his sense of humour, were betrayed by the involvement of the root of a Bessel function in the formula he used Recherche Scientifique of Belgium in 1988, for this work. He also studied critical phenomena in liquid mixtures and for generating the students’ laboratory marks. measured vapour pressures by comparative ebulliometry. More than in some disciplines, the ability of the associated During my first few years at UCL, Mike was still very active studying the thermo-physical properties of fluids. However, research students in making experiments successful is critical and among those Martin Trusler, Kathy Johnston, Tony as time passed Mike moved to a more administrative role. Mike took charge of Departmental Examinations in 1993 Goodwin, Steve Boyes, Janet Angerstein, Sarah Kimpton, Jesus Sanchez and Amanda Buxton were most notable. and only passed on this task in 2011, a spell of 18 years as Chair of Examiners! Mike modernized and transformed Later in his career Mike extended his acoustic work to microwave resonators and combined the techniques in primary the operations of the Board of Examiners, and his succinct statement (over 3 pages) of the complex and convoluted thermometry to measure thermodynamic temperature. He collaborated with the National Physical Lab in the UK and Scheme for Award of Honours is still in use today. Following on from Mike as Chair of Examiners, I was certainly NIST in the USA, and served on commission I.2 of IUPAC for 14 years. conscious that I could not compete with his ability to speak to the Board in perfectly formed sentences. Luckily, the introduction of anonymity to examiners’ meetings meant I did not have to try to reproduce his careful pronunciation of Mike had administration jobs throughout his early years in the department, in teaching, in long service on the College’s students’ names, these names given an antipodean twang even after all these years. Technical Staff Committee and as Deputy Editor of The Journal of Chemical Thermodynamics 1978-1994, but these

had a less prominent effect than what he took on later. Thus in 1992 he became the Department’s Examinations Mike’s success in modernizing the Departmental Examinations process led to him taking charge of the Departmental supremo and established the reliable and rigorous procedures which other Departments have had to try to emulate in Teaching Committee, following the introduction of the 4 year MSci course, and this second major job was soon coupled more recent times. That job eventually was passed on to Steve Price (2012), and then Mike Porter (2013). He was with the new Departmental role of Deputy Head. Mike was Deputy Head for over 10 years, serving under David appointed Deputy Head, a new position in the Department, in 1997, and very quickly became the Go-To man for day- Williams, Richard Catlow, Steve Caddick and Ivan Parkin. These were times of great change in the department: to-day matters big and small, so much so that when he gave up the job in 2011, he was replaced by two Joint Deputies. a significant increase in both student and staff numbers, increasing tension between research and teaching and a resurgence of the power of the MAPS Faculty. He took on more however, becoming Vice-Dean of the Mathematical and Physical Sciences Faculty in 2001, bolstering the Deanships of Professors Fred Pearce, David Price, and Richard Catlow, until, while still Deputy Head of Department As always, as a Physical Chemist, Mike helped the department make good decisions by looking closely at the data in 2009, he became Dean of Students (Academic) for the College, not a job for the faint-hearted in these modern days. concerning a given issue. In recent years Mike has deployed his administrative skills at a higher level in the College: There were also brief stints as Acting Head of Department and as Interim Vice-Provost (Education). serving as Dean of Students (Academic) and a spell as Acting Vice-Provost (Education). Mike’s impact on the academic running of the College has been significant. He has driven the rationalization of the College’s examination I was always impressed by his competence and his perspicuity. He was very good at recognising what students and regulations, overseen the UCL admissions effort and supervised the transition to the common timetable. The scale colleagues were leaving unsaid which always helped (him, at least), in his dealings with them. Most importantly he and ramifications of any of these individual tasks is hard to appreciate. The revised exam regulations could not be knew what had to be done in the many domains of his responsibilities and yours, and made sure that these things described as a light read, yet now they are logical and understandable. Mike also leaves us the “Ewing model” for the happened. From the duties he has undertaken, he has had a greater effect for good on more students and more staff College timetable and a cohort of slightly shell-shocked Tutors who have witnessed at first hand his attention to detail than most academics ever have. Of our many Australian staff, only Ron Nyholm has had a comparable influence on in Internal Quality Audits. the life and work of the Department and the College. I now attend Faculty of Arts examiners’ meetings, due to my role in the new BASc Degree, and a more subtle legacy of Mike’s time in College administration was demonstrated at our last meeting. Here, a colleague from a Humanities Department declared that he had been forced to “go away and learn to use Microsoft Excel”. Why did he have to do that, I asked? “So I can try and understand those spreadsheets that Mike Ewing keeps producing”, he replied.

In addition to spreading the gospel of numeracy to the Arts Faculty, Mike Ewing has played a key role in the transformation of both UCL and the Chemistry Department. As a colleague he is always generous with his time and has set us all a great example by applying the highest academic standards to each and every aspect of his job. Like many colleagues I hope Mike will still be checking his email regularly over the next years, as I’m sure his advice will still be eagerly sought by myself and my colleagues - and, of course, I will be in touch when England regain the Ashes.

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The Simons Foundation Chemistry Department’s Artist in Residence By Professor Julian Evans The Simons Foundation is a private foundation based in New York City, incorporated in 1994 by Jim and Marilyn Simons, with a mission to advance the frontiers of research in mathematics and the basic sciences. In Spring 2013, the foundation’s From 1st October, the Chemistry Department will have its own Artist in Residence. Life Sciences division launched its first multi-institutional interdisciplinary program, the Simons Collaboration on the Origins of Dr Hilary Powell, who is a graduate of Ruskin College of Drawing and Fine Art at Life. the University of Oxford. Hilary will be working with the department, developing her theme of exploring images of the decay and demolition of buildings but with an The Origins of Life is one of the great unsolved scientific problems of our age. The purpose of the Simons Collaboration on unusual slant. She actually uses the discarded materials from the demolition site as the Origins of Life is to advance our understanding of the processes that led to the emergence of life. The collaboration aims her artist materials. to support creative, innovative research on topics including the astrophysical and planetary context of the origins of life, the development of prebiotic chemistry, the assembly of the first cells, the advent of Darwinian evolution, and the earliest signs of It took me a while to accept this idea. I said “Why not go down to Cornelissen’s near life on the young Earth. the British Museum, and buy nice new, clean, pure pigments?”. But I, like many of Matthew Powner has joined the international team of 15 scientists (including astronomers, biologists, chemists, geologists, us, have imposed a huge value-judgment on what is considered to be “waste” and and physicists). hence what is to be regarded as valueless! Indeed our entire economy relies upon each consumer correctly identifying ‘waste’ as those consumer products that must Based upon back-to-back publications in Nature Chemistry, exploring both the chemical and evolutionary origins of the be replaced. Without these valuations and devaluations, economic growth would natural (3’,5’-phosphodiester) backbone found in RNA at the heart of information transfer in biology, Matthew Powner was stagnate as pointed out by J.K.Galbraith in ‘New Industrial State’ as early as 1967. The Scientist’s “Scientist to Watch” March 1, 2014. Some years ago, on my way to work from Mile End station, I passed each day a sticker that read: “All that I value is priceless”. F.R. Bowler et al., “Prebiotically plausible oligoribonucleotide ligation facilitated by chemoselective acetylation,” Nat Chem, 5:383-89, 2013. Dr Powell’s art hypostatises this challenge to value-judgement and expresses images A.E. Engelhart et al., “Functional RNAs exhibit tolerance for non-heritable 2’–5’ versus 3’–5’ backbone heterogeneity,” Nat of buildings in the East End of London that have lost ‘value’ and are undergoing Chem, 5:390-94, 2013. demolition. Pigments are made from different coloured bricks and from the soot from chimneys. Roofing grade zinc sheet is used for intaglio printing. http://www.the-scientist.com/?articles.view/articleNo/39217/title/Matthew-Powner--Origin-Solver/ Scientists don’t do value-judgments - right? So I hope you will make her welcome and (The Scientist is an international Life Sciences Magazine.) help her with the chemistry of colour.

Dr Hilary Powell writes:

I’m very excited to be Artist in Residence with you. It was both a reading of Primo Levi’s ‘Periodic Table’ and my etching process using reclaimed roofing zinc that led me to chemistry and most directly to Prof Julian Evans as I looked for ways to grind down London Stock bricks to small enough particles to be made into a pigment. I Quartzy S-Lab Award come to this residency from my Fellowship in the Creative and Performing Arts at the Bartlett. My work on demolition sites takes me across disciplines from urban studies Dr Charlie Dunnill spearheaded the departmental chemicals database at UCL. The department has inventoried and located all the chemicals in the building to facilitate to archaeology to anthropology and chemistry and I hope to continue work with the sharing and safety concerns. Nearly every bottle of chemical in the entire building is cross-disciplinary Urban Lab and Institute of Making during the year. going to eventually have its own unique identifier so that it can be traced and monitored throughout its lifetime. The aims were to; I will be programming a series of workshops ‘Materials Stories’ exploring the life cycles, ethics, properties, histories and associations of the seemingly banal by- • Cut down the cost of multiple bottles sat on shelves. products of urban regeneration from zinc to copper, brick, lead and lime mortar and • Prevent unnecessary build up of toxic chemicals that are no longer in use. attempting to collaborate with these materials to tell their own story so do get in touch • Facilitate better use of tax payers (research councils) money and resources. if you are interested and are working with these materials. Or come on a salvage • Encourage sharing of chemicals. walk to the scrap yards and demolition sites of East London that I frequent as I work The bottle label is a unique bottle reference made up of ABCxx where ABC are a set of three letters AAA, AAB, AAC…ZZZ and on larger scale etching experiments. My work is concerned with destruction and the xx are numbers indicating the year in which the bottle was purchased. transformation – from the urban alchemy of regeneration to the chemical processes at work in the print-making techniques of etching. It is about placing value on the We now have more than 20,000 chemicals in the database with many of them fully labelled up with a bottle reference. Already overlooked and the creative reuse of waste and as studio becomes lab I’m very people are borrowing and sharing chemicals with a huge benefit to the finances, safety management and to the waiting times interested to learn more about the history of chemistry and alchemy. I look forward to for deliveries of new chemicals. meeting you for exchange and experiments.

The department recently won an S-lab award for the Quartzy chemicals and equipment inventory. Dr Powell’s email is [email protected] with websites at http://hilarypowell.com/ and http://www.demolitionsite.net

8 UCL Chemistry NEWSLETTER UCL Chemistry NEWSLETTER 9 STUDENT HIGHLIGHTS AND NEWS STUDENT HIGHLIGHTS AND NEWS

ANASTASIA LEVENTIS YUNG JYN CHEW SAIMA HAIDER Undergraduate MSci Chemistry MSc Materials for Energy and Environment MRes in Molecular EngD Molecular Modelling Computational studies of bio-inspired DEGREES Modelling and & Materials Science FeS: bulk, surfaces and clusters CONRAD LIM KERLENE FRANCOIS (Supervisor: Nora H. De Leeuw) Many congratulations go to the MSci Chemistry with Mathematics MSc Chemical Research Materials Science SZYMON DARASZEWICZ following Undergraduate Students The modelling of electronic effects PETER MARCHAND

who graduated with a First Class SALMA MOHAMED HUIHAN GAO YASMINE AL-HAMDANI in molecular dynamics simulations. Group 13 metal oxide and pnictide thin (Supervisor: Angelos Michaelides) Degree from Chemistry in 2013/14 MSci Chemical Physics MSc Chemical Research (Supervisor: Dorothy M. Duffy) films: developing novel single-source precursors for the deposition of functional ELOISE MORECROFT GEORGE HARRISON MATTHEW BILLING materials ZAINAB AFOLABI RALPH LEECH MSci Chemistry MSc Chemical Research (Supervisor: Neal T. Skipper) (Supervisor: Claire J. Carmalt) MSci Chemistry (International Programme) Synthesis and manipulation of nanoparticles (Supervisor: Ivan P. Parkin) JIA OW BEN BLACKBURN VINCENT GRAY JAMES ANANI-ISAAC YINGXUE HU MSci Chemistry MSc Materials for Energy and Environment (Supervisor: Ivan P. Parkin) New applications for sulfur-based leaving MSci Chemistry NURUZZAMAN NOOR groups in synthesis The chemical vapour deposition of NEHAL PATEL AANS BUTT (Supervisor: Jonathan D. Wilden) ELEANOR BADKE YASHU HUANG transparent conducting oxides: exploring MSci Chemistry with Mathematics MSci Chemistry MSc Materials for Energy and Environment (Supervisor: Thanh T. K. Nguyen) routes towards improved functionality JAHANGIR MALIK (Supervisor: Ivan P. Parkin) SIDNEY BEECH RAVI RANINGA TING LI THOMAS COLLIER Computational modelling of hydrated MSci Chemistry (International Programme) MSci Chemistry MSc Materials for Energy and Environment (Supervisor: Nora H. De Leeuw) yttrium containing silicate glasses for in ISAAC SUGDEN situ radiotherapy Carboranes and their incorporation into (Supervisor: Jamieson Christie) JENNILEE BROWN JAMIE RILEY ZHENG LING NANAXHI COLOMER MSci Chemistry MSci Chemistry MSc Materials for Energy and Environment (Supervisor: Angelos Michaelides) siloxane polymers: a computational study. (Supervisor: Robert G. Bell) JUDITH YOUZIEL The use of thiomaleimides as intracellular SEAN CHIA NAFISA SHARIF JUN MA JONATHON COTTOM BSc Chemistry MSci Chemical Physics MSc Materials for Energy and Environment delivery vehicles (Supervisor: Alexander Shluger) (Supervisor: James R. Baker) JOSEPH COLLINS EngD Molecular Modelling STANISLAV SOKOLOV BARRY MCKENNA BSc Chemistry OLIVER DICKS BSc Chemistry MSc Materials for Energy and Environment and Materials Simulation FABRIZIO PULETTI (Supervisor: Peter V. Sushko) Laboratory spectroscopic studies of JENNIFER DAVY ANDREW HARRIS interstellar ice analogues ILONA SWIATKOWSKA EMILIA OLSSON ABDEL-AZIZ ESSADEK MSci Chemistry MSci Medicinal Chemistry From the mechanical properties of (Supervisor: Wendy Brown) MSc Molecular Modelling (Supervisor: Nora H. De Leeuw) single cells to those of simple tissues ALICE DUNBABIN JAC THOMAS MATTHEW PENNELL MATTEA SAID CONTI TOBIAS GILL (Supervisor: Guillaume Charras) MSci Chemistry BSc Chemistry Gold catalysed reactions of propargylic MSc Materials for Energy and Environment (Supervisor: Cyrus F. Hirjibehedin) alcohols NAFSIKA FORTE HADEEL HUSSAIN JUTTA TOSCANO Quantitative structural investigations (Supervisor: Thomas D. Sheppard) MSci Chemistry SOULTANA SELINA IAN GODFREY MSci Chemistry MSc Chemical Research of the water/metal oxide interface (Supervisor: Gopinathan Sankar) RICHARD KERR ANISH GOODEAL (Supervisor: Geoff Thornton) Ion mobility and mass spectrometric BSc Chemistry with Mathematics DANIEL WALKER WOO SEUNG SON MSci Chemistry ANNA GOULD JONATHAN KEATING studies of macromolecules required for MSc Materials for Energy and Environment (Supervisor: Charles R. A. Catlow) ROBERT GRIFFITHS Elucidating structure over atomic length organism viability MSci Chemistry YUXIN WANG scales through advanced synchroton (Supervisor: Konstantinos Thalassinos) FEYZA TUNALI TOMOS HARRIS BSc Medicinal Chemistry MSc Chemical Research based methodologies (Supervisor: JAMES GRUNEWALD (Supervisor: Ivan P. Parkin) Gopinathan Sankar) ATIF ELAHI MSci Chemistry OLIVER WARE XIAOCHEN WANG Plasma electrochemistry: electron MSci Chemistry MSc Materials for Energy and Environment GALVIN KHARA transfer at the solid/gas interface KAVITA HANSLA (Supervisor: Dorothy M. Duffy) PhD DEGREES (Supervisor: Daren J. Caruana) MSci Chemistry BENJAMIN WILLIAMSON SAMUEL WILLIAMS MSci Chemistry MSc Chemical Research CHRISTOPHER LYNCH MIKIEMBO KUKWIKILA RICHARD AINSWORTH MARTIN HART (Supervisor: Ian K. Robinson) Synthesis of nucleoside analogues and Modelling phosphate-based glasses for MSci Chemistry peptides for nanopore analysis and JAKE WILSON LIJUAN ZHANG biomedical applications BSc Chemistry with Mathematics MSc Chemical Research ANDREW MELLOR controlled bioactivity (Supervisor: Nora H. De Leeuw) THEODORE HAYES (Supervisor: Geoff Thornton) (Supervisor: Stefan Howorka) MSci Chemistry XUANHENG ZHU RACHEL LANIGAN MSc DEGREES MSc Materials for Energy and Environment SHEREIF MUJAHED JACOB SWADLING B(OCH2CF3)3-mediated amidation ANNABEL HILL (Supervisor:Charles R. A. Catlow) Nucleic acids at the mineral interface - reactions BSc Chemistry ALEX AZIZ an origins of life study (Supervisor: Thomas D. Sheppard) MSc Materials for Energy and Environment MRes Organic Chemistry: JOSEPH WELLINGTON (Supervisor: Peter V. Coveney) JAMES HINDLEY (Supervisor:Nikolas Kaltsoyannis) MSci Chemistry Drug Discovery PAUL MOODY JASMEET BASRAN ANDREW ROUPANY Evaluation of strategies for modular assembly MSc Materials for Energy and Environment All the student data was provided by the Novel [2+2] photocycloadditions of DOUGAL HOWARD SHAKHER CHUDASAMA of targeted therapeutics and diagnostics. Student Data in Registry, the Official Body vinylogous amides and imides MSci Chemistry (Supervisor: Stephen Caddick) TARANEH BOZORGZAD MOGHIM SONAL DHIMAR responsible for maintaining the records (Supervisor: James R. Baker) MSc Chemical Research of both undergraduate and postgraduate MAX HOWELL HA PHUONG NGUYEN students. AISHA RAHMAN MSci Chemistry with Mathematics Theoretical and experimental investigations YUI CHEUNG PAK KWAN SIN MSc Materials for Energy and Environment of graphitic and crystalline carbon nitrides. JENNIFER KINGHAM PEI SOH (Supervisor: Paul McMillan) MSci Chemistry with Mathematics

10 UCL Chemistry NEWSLETTER UCL Chemistry NEWSLETTER 11 STUDENT HIGHLIGHTS AND NEWS STUDENT HIGHLIGHTS AND NEWS

SANDRA SANCHEZ VAZQUEZ by Anand Patel Future Imogen Weatherhead, MSc Chemistry (Int. Programme) Polymers from food wastes. Glasgow 2014 Now, there is everything to play for. I have recently won a bronze medal in the adult solo female category at the World (Supervisor: Julian R. G. Evans) Championship Showdance and Tapdance in Riesa, Germany. Energy, spatial awareness, time, and an adrenaline fuel cell: the fundamental forces a a Commonwealth Games under my belt. gymnast needs to compete in the Glasgow Commonwealth Games. I was part of an experience that will be ANNA ADAMS remembered in times to come. It was also the best results England has ever achieved at World Championships Developing novel peptide ligation (6 gold, 2 silver, 2 bronze and lots of other high rankings). Many congratulations The scene is set, the crowd roaring. Camera lights sparkling all over the newly built SECC methology for the synthesis and But for now, my options are left open. I am in Imogen, well done! Hydro Arena. Years of training encapsulated into 6 packed routines happening within the a fantastic position both academically and labelling of bioactive hepcidin. glimpse of an eye. (Supervisor: Derek Macmillan) in my sport. I feel fit and I have sustained a strong mental and physical duality The build-up PERSIS DHANKHER throughout my time at UCL. Refreshed from a week’s rest, I am ready to continue Synthesis of novel allosteric agonists Blitzed by second year chemistry exams and two weeks of solid lab work, my focus of competing in the games still remained. A focus that left no compromise even in my two training for upcoming competitions. In and allosteric modulators for nicotinic September, I have the Northern European years at UCL: acetylcholine receptors. Championships in Denmark. So, I have to (Supervisor: Thomas D. Sheppard) get out of bed and start training! The build-up to the Commonwealth Games was fierce and ANDREW SMITH challenging, both mentally and physically. If you think 20 hours of Thinking 4 years ahead, I believe I am In-situ and ex-situ studies of heteroatom Chemistry per week is challenging, think about trying to train 24 in with a chance for a medal in the next substituted nanoporous materials using hours on top of that! A standard day: lectures and labs throughout Commonwealth Games in Gold Coast advanced radiation techniques. the day from 9 to 5pm. Train from 6-10pm, come back by London Australia 2018. This therefore means I will (Supervisor: Gopinathan Sankar) Midland, cycle back to the flat, shower, eat and then ponder over have to train even harder and smarter than the electron until 3am. This was my effective life for 2 years. Now, before. I love a challenge, so let the real work begin! MICHAEL WARWICK I can safely say that I have survived without breaking a sweat! Bring on third year! New CVD methods for energy efficient Academically, the scope is wide and open. glazing. CHEM3001 Lab book, I am undecided where I would like to take (Supervisor: Ivan P. Parkin) post exam work! my academic career. I have two more years of hardcore Chemistry to crunch Silvia Lovera JAMES FLETCHER The experience and master before I march off into the real After obtaining my bachelor’s degree in Pharmacy at the Studies of atomic and molecular cations. My adrenaline was firstly ignited with the opening ceremony. world. University of Turin (Italy). I started my PhD during which time (Supervisor: Stephen D. Price) Seeing a crowd that large was most certainly unnatural! My eyes I have had the opportunity to work at two prestigious, world One thing is for certain: I love Chemistry renowned institutions: the Spanish National Cancer Research were going all over the place; trying to spot the Isle of Man flags and I would enjoy doing something in the RAMIZ NATHANI while simultaneously trying to take in what I was seeing! My mind Centre and University College London. Novel approaches for cysteine future which is related to the science that I was racing from this immediate stimulus. have learned. bioconjugation. My PhD work is focused on the study of an important class of biological targets, (Supervisor: Stephen Caddick) The village experience was tyrosine kinases, and their interaction with anticancer drugs, using a powerful Holding the Isle of Man simply incredible: 71 nations combination of computation and experiments. NASIRUDEEN BABA flag in the opening from all over the Commonwealth ceremony Hydrophobic polymers and were nesting in a newly built From the results of my research, pharmaceutical companies could speed-up nanocomposites from Cassava. complex, where everything was provided. The word their protocols in the search for new biological targets and rationally design more (Supervisor: Julian R. G. Evans) ‘free’ came to mind and it was a word worth exploiting! selective anticancer drugs. These new treatments could not only be more effective Everything was free! Free physiotherapy, hot stone against oncogenic tyrosine kinases but could also finally overcome drug resistance, MATTHEW LI currently a significant problem in the treatment of cancer. Village main dining hall with massages, gym, sauna, ice bath and most importantly Investigating the effects of applying food! The main dining was comprised of a huge range Kiwi gymnast Reid McGowen My passion for science drives me to work hard and I’m always curious and willing a high voltage DC electric field in a of tasty foods, spanning from the healthy to the very Arninator to learn. During my PhD I broadened my knowledge, bringing together two very flame using a point to plane electrode unhealthy! The chocolate muffins and fresh smoothies were to die for! By the end of the different but complementary disiplines: Computational Chemistry and Molecular arrangement. games, my diet consisted of mostly pizza- the reward for many years of hard work and Biology. This powerful combination gave me the opportunity to widen my field of (Supervisor: Daren J. Caruana) perhaps more topically an essential meal after an epic night out into Glasgow! expertise and deepen my understanding of the subject of study, while being able to MICHAEL WARD approach the problem from both biological and chemical points of view. Kinetic studies of the atmospherically The competition implicated halogen oxide radical and I competed in all 6 apparatus: Floor, Pommel, Rings, Vault, In 2014 I have been awarded with the Ramsay Medal for the best final year PhD peroxy radical cross-reactions. Parallel Bars and High Bar. I was nervy on the first day, but perfect student. It has been an immense honour for me to win this prestigious academic (Supervisor: David M. Rowley) on the second day. My two vaults were a highlight as both were award. It is an incredible achievement landed perfectly. I came overall 16th in the Commonwealth on recognizing all the commitment and the hard CYNTHIA EDUSI that apparatus. Although I marginally missed out in making it into work I have done over the past years and great Aerosol assisted chemical vapour the vault and all-round finals, the experience was invaluable. encouragement for me to continue the not deposition of titanium dioxide and always easy journey in science. tungsten oxide thin films. The atmosphere was electric! Euphoric! At first I couldn’t (Supervisor: Ivan P. Parkin) control my nerves. I had so much adrenaline coursing through Top turn on the I am currently completing my PhD and I’m now my veins! Gymnastics is a sport where you cannot use the High Bar thinking about my future, which I would like to BHAVESH PREMDJEE adrenaline to your advantage. Control is imperative; the moves be in academia. Semi-synthesis of glycoproteins performed require perfect precision and mental focus. Additional Planting my hands on Figure - View of the anticancer drug Imatinib (Supervisor: Derek Macmillan) nerves or adrenaline can cause over-rotations or the inevitable the vault to generate power and height binding to c-Abl tyrosine kinase embarrassment of falling. On the second day, I learnt from the experience of the first day and performed like I normally doin training. This time I welcomed the crowd, which boosted my confidence and self-control.

12 UCL Chemistry NEWSLETTER UCL Chemistry NEWSLETTER 13 STUDENT HIGHLIGHTS AND NEWS STUDENT HIGHLIGHTS AND NEWS

Chemist Wins Public Engagement Award 2013-2014 PRIZE WINNERS We would like to congratulate the following prize winners: for SuperLAB! Event Article by Clair Chew This year’s Ramsay Medal Winner is Silvia Lovera for her presentation entitled “ Walking into a Shoreditch bar on a Wednesday evening, the last thing you might be expecting is a CSI crime scene and lab ready Modelling the selectivity of an anticancer drug through ”. for you to play detective. The free ‘SuperLAB!’ events were inspired by crime and superhero comics and ran over the course of two molecular simulations nights. Artists and scientists came together to organise activities and discussions for punters at the bar. On the first night, ‘Draw’, artists, psychologists and neurologists demonstrated the art of comic books, how art has come to influence science, investigate what JOE BARNETT makes a person have the ‘right’ brain for art and whether chemicals can expand the creativity of artists. ‘Crime’, the theme of the CK Ingold Prize - For Excellence in Undergraduate Performance second night saw psychologists and scientists focusing on how the crime was performed, what makes a devious villain and most importantly, the modern forensic techniques used to catch them! LASZLO BERENCEI CK Ingold Prize - For Excellence in Undergraduate Performance One half of the SuperLAB! bid team, Nadia Abdul Karim (supervisor: C. Blackman) recently won the ‘Student Engager of the Year’ at the Provost’s ‘Public Engagement Awards’. During a break of unnecessary email checking at work, Nadia had decided to respond KATHERINE SANDERS to an ad about the project. One thing led to another and she managed to successfully co-bid for a grant to fund the two evenings. CK Ingold Prize - For Excellence in Undergraduate Performance As someone who has organised a few smaller events, I can appreciate the time and hard work that Nadia had put into not just the demonstrations, but also sourcing equipment and managing students for such an ambitious event. SIMEON DRAGANOV CK Ingold Prize - For Excellence in Undergraduate Performance Like most PhD students, Nadia is fuelled by a desire of answering questions of how’s and why’s. After completing a Forensic Science undergraduate degree, she decided to join UCL’s Crime and Security Science DTC program looking at explosives. Explosions might LISA HOANG sound exciting but the slog of research can take its toll on even the most vivacious of students, losing sight of how and why we are CK Ingold Prize - For Excellence in Undergraduate Performance doing a PhD. Research students experience this everywhere after looking at, as Nadia puts it, “an endless list of negative results”. She is optimistic however, enthusing that engaging with the public can be powerful fuel, “it helps you realise that research goes MATEUS DIVEKY beyond the lab and office, and it does affect and interest the wider public.” CK Ingold Prize - For Excellence in Undergraduate Performance The award of student engager wasn’t just received for the coordination of the ‘SuperLAB!’ event. Nadia also participates in one-off JENNY KINGHAM events such as outreach at schools, open days at the Institute of Making and public taster lectures. She has also taken on roles of Neil Sharp Prize - For Excellence in theoretical (including computational) Chemistry being a student and ‘Brilliant Club’ mentor. Even just thinking about this many commitments has made my head spin; I had to ask Nadia how she does it. It turns out she is just a ‘Yes’ girl; “I sign up to doing all of these things, then realise I have a ton of university NAFSIKA FORTE work to do at the same time and then somehow manage to be super-efficient (usually with the help of caffeine) to get everything Tuffnell Prize (year 1) - For the best student commencing a Ph.D. in the Department of Chemistry, UCL done”. VALERIJA KARALUKA Showing signs of self-deprecation, Nadia admits to not having any great planning or time management skills, just being an effective Tuffnell Prize (year 2) - For the best student commencing a Ph.D. in the Department of Chemistry, UCL worker under pressure. Perhaps it is more than just organisational skills, thinking back to one of my first encounters with Nadia at a dinner, she strikes me as having a genuine interest in society and people. Combining her sense of social responsibility with a scientist’s ILONA SWIATSOVSKA curiosity certainly makes Nadia an ideal, exciting and valued science communicator. Parke Davis Prize - Excellence in Medicinal Chemistry

JUTTA TOSCANO Harry Poole Prize - For Excellence in Physical Chemistry

JAMES ANANI-ISSAC Ronald Nyholm Prize - For Excellence in Inorganic Chemistry

GAVIN FULLSTONE Apley Prize - For the best abstract for a Ph.D thesis

HARRIET STORY (Nat. Sci. Student) Charles Vernon Prize - Excellence in Biological Chemistry Franz Sondheimer Prize - Excellence in Organic Chemistry

ROB FOSTER Nadia Abdul Karim (right) receiving the ‘Student Engager of won the GlaxoSmithKline Travel Award Lecture 2014 for his talk entitled ‘Sustainable Approaches to Novel Heterocyclic the Year’ award from the Provost (centre). Scaffolds for Medicinal Chemistry’.

Congratulations Nadia!

In our 2013 newsletter we recorded that Alice Latham was awarded with a BSc, it should have been recorded as an MSci in Chemistry (International Programme). We apologise for this error.

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Obituary UCL Chemistry Alumni Lab Dinner We regret to inform you of the sad passing of Professor Barbara Banks Friday 21st November 2014 Due to UCL building works, we have had to make changes to the venue of this year’s Chemistry Lab Professor Barbara Banks PhD, DSc, FRSC By Shawn Doonan Dinner. The new venue for the dinner will be the Ambassadors Hotel on Upper Woburn Place, only a short walk from the department. Barbara Banks died on the 10th of June 2014. She was a Lancastrian by birth and read chemistry at Royal Holloway College before starting a life-long association with UCL by taking an MSc in Biochemistry. Barbara then worked for a PhD under the supervision of Charles Vernon who had recently turned his This year’s programme will be as follows:- attention to the mechanism of action of enzymes. Barbara was given the job of purifying the enzyme aspartate aminotransferase which was no mean task given the primitive methods available for protein 4.30pm Nyholm Room purification at that time. She then carried out a detailed investigation of the kinetics oftheenzyme- Meet fellow alumni for tea and coffee catalysed reaction and on the basis of that work was awarded the Ramsay Medal for the session 1961/62.

5.00pm Christopher Ingold Auditorium Barbara continued working on aspartate aminotransferase as a Post-Doctoral Fellow. This is a particularly Lecture by Professor Giuseppe Battaglia interesting enzyme because its action requires a bound cofactor, pyridoxal 5’-phosphate, which is itself “Molecular Bionics: Copying Nature to Control Nature” capable of catalysing the reactions of transamination. By combining kinetic studies of the cofactor-catalysed reaction with some very cunning studies carried out by Tony Lawrence of the enzyme-catalysed reaction using deuterated substrates it was 6.00pm Nyholm Room possible to show that the rate enhancements due to the protein part of the enzyme on the rate-limiting steps of the process were Drinks Reception of the order of 107 to 109-fold. This was the first time that the catalytic power of an enzyme was put onto a quantitative footing. At that time (the mid-sixties) the first three-dimensional structures of enzymes were determined and it became possible to make 7.30pm Ambassadors Hotel conjectures about the physical and chemical bases of their catalytic effects. Barbara co-authored a review on the topic along 12 Upper Woburn Place London, WC1H 0HX with Charles Vernon and myself in Progress in Biophysics and Molecular Biology (1970, 20, 247-327) the ideas expressed in Dinner which are still largely valid today. Starters

Bocconcini mozzarella salad with vine cherry tomatoes, basil and olives(v) or Around this time Barbara was appointed to a lectureship in the Department of Physiology in UCL but still retained links with Scottish smoked salmon with keta caviar, crème fraiche and lemon the Department of Chemistry and in particular with Charles Vernon whom she subsequently married. This collaboration was Main Courses focused on work at the boundaries of chemistry and biology. One such project involved studies of the structure and function of (Roast potatoes & a selection of vegetables will accompany all main courses) nerve growth factor, NGF, a molecule critical for the survival and maintenance of sympathetic and sensory neurons. Other work Rack of lamb with parmesan herb crust, minted cannellini beans and thyme jus concerned the anti-inflammatory activity of peptide 401 from bee venom and the relationship between this activity and the ability or of the peptide to degranulate mast cells. Seared tuna, french beans, kalamata olives, sun-blushed tomatoes & yoghurt dressing or Apart from these experimental research activities Barbara had a long-standing interest in the misuse by biochemists and Butternut squash parcels with walnut sauce and rocket salad(v) biologists of the concepts of free energy changes in biological systems, and in particular about the role of the molecule adenosine 5’-triphosphate (ATP). This molecule is often referred to as ‘high energy phosphate’ on the grounds of its relatively Desserts Almond and peach tart with clotted cream ice-cream high standard free energy of hydrolysis. The idea had gained ground that the ATP produced, during the exergonic reactions or of catabolism (degradation of foodstuffs) ‘stored’ this energy, and that energy subsequently liberated by its hydrolysis then Coconut and vanilla pod panna cotta with mango sorbet & ginger snap biscuit ‘drove’ the endergonic reactions of biosynthesis and other processes such as muscular contraction. This wholly mistaken idea served to draw attention away from the true role of ATP as providing a chemical, as opposed to an energetic, link between the processes of catabolism and anabolism. The most detailed criticism of the traditional view was given by Barbara and Charles 10.30pm Ambassadors Hotel Bar Vernon in a paper in the Journal of Theoretical Biology (1970, 29, 301-326). In spite of the force of the arguments made in this For guests that wish to mingle following the dinner, the and other related papers it is regrettable that misconceptions about the role of ATP persist. For example, the Wikipedia entry hotel has a bar area. for ATP still contains statements such as “ATP is consumed in the cell by energy-requiring (endothermic) processes and can be generated by energy-releasing (exothermic) processes. In this way ATP transfers energy between spatially separate metabolic reactions.” Despite this, Barbara’s analysis of the role of ATP in biological processes must still be seen as a major contribution The full cost of the evening is £45 for alumni and guests. For to knowledge. For this and her other scientific work Barbara was awarded a DSc and was promoted to a personal Chair of current postgraduate students, a limited number of tickets will be Physiological Chemistry in the Department of Physiology. charged at £35. This cost includes a 3 course meal with tea and coffee plus half a bottle of wine per person. Barbara made many other contributions to the life of UCL. She was a fine teacher and much appreciated as a tutor to medical students. She also had a strong interest in the promotion of opportunities in science for women; this she pursued through work with the AUT and also by her involvement in the establishment of a crèche in the College. She was an active member of If you wish to attend, please complete the on-line booking form at the Science Society and a contributor to the general intellectual life of UCL. In recognition of these contributions and of her http://onlinestore.ucl.ac.uk by 31st October 2014. scientific work she was elected as Honorary Fellow of UCL in 1991. In 1994 she instituted the Charles Vernon Prize in memory of her husband. Should you have any queries regarding this year’s event, please do not hesitate to contact Nicola Best ([email protected]), further information can also be found by visiting our website: http://www.ucl.ac.uk/chemistry/alumni/lab_dinner.

16 UCL Chemistry NEWSLETTER UCL Chemistry NEWSLETTER 17 ALUMNI MATTERS ALUMNI MATTERS

Obituary Sea. I knew not what the sea contained; but in recompense I knew that Neptune governed it and that Venus was generated out Lord Lewis of the foam of it. 13th February 1928 – 17th July 2014 Human body. I knew nothing of anatomy, though in order to know it I wanted nothing but eyes if any body would have shewn it After a long illness, Lord Lewis (Jack) on Thursday 17 July 2014 sadly passed away in Cambridge. Apart from other appointments me. I knew nothing of the manner in which man is made, but I knew perfectly how he used to be made, sometimes by a man’s at Imperial College, Sheffield and Manchester, he had been a Lecturer and Reader at UCL (1957-61), Professor (1967-70), setting fire to a statue (Prometheus), sometimes by 3 Gods making water or something else into a cow’s hide (Trion) before becoming Professor of Chemistry at Cambridge (1970-95) and Foundation Warden of Robinson College Cambridge (1975- 2001). He later became a Visiting Professor at UCL (from 1996 onwards). Jack chaired many important Science and Government Medicine. I know nothing of the manner in which man is preserved from the several calamities by which his health may be Committees, notably the Royal Commission on Environmental Pollution (1985-92), being knighted in 1982 and created a Life Peer affected but I was made to read a great deal of the circumstances that have ever attended his destruction. in 1989. He had served on the Council of the Royal Society and received many awards from the Royal Society of Chemistry, the Royal Society and Foreign Academies. Earth. I knew nothing of the earth I trod upon: except that it was set on fire once by an unlucky boy whom the sun, who in those days kept his carriage, sent to take an airing upon the coach box.

Water. I knew nothing about the water I drank: except that we used to be created sometimes by Gods pouring it out of a porridge pot, sometimes by a Goddess when she had a fit of the vapours.

Natural Philosophy. I had heard that there was a science called Natural Philosophy; but was told that it was abstruse and difficult, and in the mean time was crammed with Logic obscurely explained from an obscure text, with Greek Testament drummed in at both ears, and with Geography learnt by hunting out the names of places coram urbis upon a map, and above A word from our Founder: Jeremy Bentham’s comments on chemistry all with Greek and Latin better taught before at Westminster. Chemistry. I had heard that there was another science called Chemistry but was discouraged from all thought of it by a universal frown, as a science useless if not pernicious, and which considering what it was and by whom taught could be fit only to make a man an atheist or an apothecary. We know Jeremy Bentham as a social and educational reformer, whose followers were responsible for founding University College London, and whose body was preserved and He says that he was ignorant of science when he graduated but ‘this complaint would not long subsist if but half the time were put on display to serve as an example to future generations of students. He was also in fact a chemist manqué, and if his teaching at Oxford had included science, history might have given there to the study of chemistry that is consumed for example in the study of the Greek Testament’. turned out very differently. In his later comments on the Declaration of the Rights of Man and of Citizen (1789) which was put forward during the French In 1760, at the age of twelve, Jeremy Bentham went from Westminster School to Queen’s Revolution, he compares chemistry favourably with the legislation. ‘Chemistry has commonly been reckoned, and not altogether College, Oxford, graduating with a BA in 1763. He deplored the fact that he was taught no without reason, among the most abstruse branches of science. In chemistry, we see how high they have soared above the chemistry there. His correspondence with his brother Samuel shows that, later, he was sublimest knowledge of past times; in legislation, how deep they have sunk below the profoundest ignorance …..Comparatively reading chemistry texts including Priestley’s “Observations in different kinds of air” and speaking, a select few applied themselves to the cultivation of chemistry …the science is acknowledged to be an abstruse probably followed a course in chemistry given by his friend George Forsyth. He trained as and difficult one, and to require a long course of study on the part of those who have had the previous advantage of a liberal a lawyer but is said to have spent his time performing chemical experiments rather than education; whilst the cultivation of it, in such manner as to make improvements in it, requires that a man should make it the great reading law books. In 1774 he wrote to Priestley describing some experiments which he business of his life; and those who have made these improvements have thus applied themselves’. ‘In chemistry there is no had carried out on gases. In his reply, Priestley said “If you were to go to work in good room for passion to step in and to confound the understanding - to lead men into error, and to shut their eyes against knowledge: earnest you would do something considerable”. in legislation, the circumstances are opposite, and vastly different.’ In 1779, Torbern Bergmann published in Swedish the text of a lecture course which This, then, was the background in which UCL was founded in 1826, largely by Bentham’s disciples, as an institution which would he gave at the University of Uppsala on the applications of chemistry to medicine and accept anyone who was academically qualified, irrespective of religion, social status, or nationality, and which would teach those industry. A German edition was translated by Franz Xaver Schwediauer into what Bentham subjects which Bentham so sorely missed at Oxford. When the College opened for teaching in 1828, it included a Chemistry called Lingua Franca, which was halting English interspersed with French and Latin when Department, the first in England. Schwediauer’s English was inadequate to cope. Bentham translated Schwediauer’s version into idiomatic English and the book was published under the title of Essay on the Usefulness One can speculate how history might be have been changed if only Oxford had taught Bentham chemistry. He might have of Chemistry in 1783. followed a chemical career and we might now be teaching Bentham’s chemistry, but if he had not instead become a social and educational reformer there might be no UCL in which to teach. Bentham wrote a great deal, but little got as far as publication. He drafted a preface to Bergmann’s book but never finished it, but his notes for it are in the Bentham manuscripts 1 W.R. Smeaton, Annals of Science, 1968,24, 259-273 Most of the quotations in this article are taken from Smeaton’s paper. in the UCL Library, and W.R. Smeaton, of the Department of History and Philosophy of Science, quotes it in a paper in Annals of Science.1

Bentham deplores his ignorance of the physical world and castigates his Oxford professors “who deem it if not more useful at least more ornamental to know what the antients have dreamt than what the moderns have observed” and is scathing about what they had taught him:

Air. I learned nothing of the air I breathed in: except that the mischief it was apt to do was owing to the spitefulness of a god who when he was in an ill humour used to get a parcel of overgrown school boys to blow it in people’s faces.

18 UCL Chemistry NEWSLETTER UCL Chemistry NEWSLETTER 19 ALUMNI MATTERS ALUMNI MATTERS

A Plea for help Book for Sale! UCL Chemistry in colour by Professor E. A. (Peter) Robinson In clearing out the old contents of a safe in the UCL Chemistry Department 1826-1974 Chemistry Department we have come across two items which we cannot identify. Written by Alwyn Davies and Peter Garrett, this book The turn of the 20th century was a hugely successful time for UCL’s Chemistry Department, bringing with it the tells the story of the first 150 years of the Chemistry College’s first Nobel Prize. William Ramsay was the 1904 Laureate in Chemistry for the discovery of the noble The first is a pair of stirling silver conical flasks, each Department. It is not a work of scholarship but is, 117mm at the base and 185mm tall, one weighing gases. One of the key participants in this research was J Norman Collie, pictured below next to a glowing neon gas we hope, an interesting and useful record which will discharge tube. Collie served as Professor of Chemistry and head of the laboratories at UCL until 1928. 260g and the other 280g. The picture shows them appeal particularly to our alumni and to others who wrapped in clingfilm to keep them clean. are interested in the history of science. Malcolm Probably taken between 1911 and 1913, this photo is a rare, and extremely well-preserved example of the They are stamped S.B.& S.LD (Presumably Grant, in his Foreword said “Alwyn Davies and Peter Autochrome process, which was the first practical method for producing colour photos with a single photographic S. Blanckensee & Sons, Birmingham) and are Garratt have succeeded brilliantly in capturing the plate. Other early colour photos, such as the famous photos of Tsarist Russia made by Sergey Prokudin-Gorsky, hallmarked with a lion passant (Stirling silver), dynamic of a successful department and the careers required multiple monochrome exposures through coloured filters, which were then combined back into colour Anchor (Birmingham), and y (1923). of its many colourful characters” photos later. This was a cumbersome method, particularly when photographing people or moving objects, although the colour reproduction was better. We can find no reference to them in the literature If you would like to purchase this book, it is available and can think of no chemical use for silver conicals. on the internet at Perhaps they were a presentation to mark some Although the location is hardly recognisable under the thick coating of soot that covered most London buildings at occasion but, if so, it is surprising that we can find no http://onlinestore.ucl.ac.uk/chemistrybook, but more the time, it is a spot which will be familiar to many who know UCL: the basement level frontage of the Slade School departmental record of them. readily for UCL local residents, over the counter in of Fine Art, on the north side of the main quadrangle. Before the opening in 1913 of what is now known as the the College Shop (£12, cash or credit card) in the Kathleen Lonsdale Building, this building housed the College’s chemistry labs. basement of the South Junction, or from Room 106 (cash or cheque). Aside from his academic career, Collie was a renowned mountaineer, a pioneer of medical X-rays (he performed the UK’s first), and there is even some evidence that he was Arthur Conan Doyle’s inspiration for the character of We hope you enjoy the read! Sherlock Holmes — something which seems quite plausible given his appearance in this photo.

He was the first to climb 71 peaks around the world, and has two mountains named after him, Sgurr Thormaid (Norman’s Peak) in Scotland, and Mount Collie in Canada.

Photo credit: UCL Chemistry Collections, acknowledgement: Prof Alwyn Davies

The second is a set of seven metal devices, two of which are shown in the picture. The cylindrical base is 20mm in diameter and 45mm high and the surmounted tubes are 145mm long with 4 mm od and 3mm id. Each weighs 150g. XPS analysis by Daren Caruana shows that, remarkably, they are pure silver.

Presumably they were made for some experiment, but why in such a soft, reactive, and expensive metal as silver? They probably date from before the 1939 war. Again we can find no reference to them in the literature or in Departmental records.

We would be very grateful for any suggestions as to what either of these puzzling items might be.

Alwyn Davies

([email protected]) Figure 7. The interconverting Collywobble

20 UCL Chemistry NEWSLETTER UCL Chemistry NEWSLETTER 21 ALUMNI MATTERS ALUMNI MATTERS

Donations New items in Dr Nicholas Rose Those UCL Alumni and friends who have supported the department directly help us to build on our international reputation for 1977 Bachelor of Science teaching and research and make a range of exciting activity possible. Your kind contributions have a direct impact upon our the archives students and staff and we are very grateful for them. By [BSc Chemistry] Many of the contributions we receive help to fund our awards and student prizes, for example our Ronald Gillespie Award for Professor Alwyn Davies After graduating I decided to head into the world of business Inorganic Chemistry and The Viola Horsell legacy is being used to support a number of Impact Scholarships. and trained to be a Chartered Accountant with Ernst & There has been an interesting sequel Whinney (as they were named in those days). Upon qualifying We continue to provide an excellent education and training environment for undergraduate and postgraduate students in chemistry to our commemoration last year of I followed my scientific bent by moving into Computer Audit and all of our colleagues are developing innovative methods to inspire and instruct. It is great to know that we have your support the anniversary of the arrival of the for a while, eventually ending up as Continental Bank’s International Systems and assistance as we work to do this. five Japanese students (the Choshu Auditor, covering Europe, South America and the Far East, but based in London. Five) who were put into the care of After they went bust in 1991 I moved into NatWest’s IT Audit Group and worked We would like to thank the following UCL Alumni Donors for their help over the last year:- Alexander and Catherine Williamson with them until 1997 when Bank of America recruited me into their West Coast Dr L Affleck - 2002 PhD [MPhil Chemistry] in 1863, and, when they went back, based IT Audit team based in Concord, California. After three years there I moved Dr D Ambrose, OBE - 1939 Bachelor of Science, 1949 PhD became the founders of the modern into Bank of America’s Corporate Information Security group and have been doing Dr J H Aupers - 1965 Bachelor of Science state of Japan. Out of the blue, we that for the last 14 years. It is a very dynamic and fast changing environment and Dr D Baxendale - 1965 PhD had a message from Mr. John Fison, I credit my scientific background as being the foundation which allows me to keep Mr G Belchem - 1993 Bachelor of Science [BSc Chemistry] who is a UCL graduate in Engineering, up with the technology. Dr A Bradley - 1997 PhD [MPhil Chemistry] saying that he is the great grandson of Dr S Biswas - 1985 Bachelor of Science Professor Williamson, and that he and In my spare time I have taken an interest in a company called Entogenetics Mr G H Brown - 1953 Bachelor of Science his niece, Mrs. Sally-Anne Lenton, which is genetically engineering silkworms to produce spider silk with a friend Professor Steve Caddick had some items relating to Williamson who is a PhD Entobiologist. Its main application would be in ballistic vests Mr C Chu - 2011 Master in Science [MSci Chemistry with Mathematics] which might interest us. and we are currently working on our first contract for the US Department Squ Leader P Claridge - 1956 Bachelor of Science [BSc Biochemistry] of Defense. So you see, my interest in science continues even though I Mr N Cooper - 1999 Master in Science [MSci Chemistry] These are his Royal Medal from the am supporting this business from outside of the lab. You can read about it at Professor S Doonan - 1962 Bachelor of Science, 1966 PhD Royal Society in 1862, a plaque in http://www.entogenetics.com Dr J D Forrester - 1960 PhD [MPhil Chemistry] Latin which apparently relates to an Dr A C Gilby - 1962 PhD [BSc Chemistry] Italian award, and most intriguingly, I am married with two kids and living in Charlotte, NC. My son is a junior (third year Dr M J C Harding - 1960 Bachelor of Science [BSc Chemistry] a silver incense burner which the student) at Carnegie Mellon University (in Pittsburgh) studying Computer Science. Mr F W Haslam - 1969 Bachelor of Science Choshu Five gave to the Williamsons He just completed his summer internship at Facebook in Menlo Park, California Dr J Michael Hollas - 1956 Bachelor of Science, 1959 PhD in appreciation of their help. and was invited back next summer, if he wants to go. He wants to specialize in Mrs K S Kershaw - 2002 Master in Science [MSci Medicinal Chemistry] Human Computer Interaction (HCI) or computer game development. My daughter is Dr S K Kimpton - 1981 Bachelor of Science [BSc Chemistry], 1984 PhD [MPhil Chemistry] The incense burner, which is shown following her brother’s footsteps in the International Baccalaureate program at East Dr K A Knapp - 1968 Bachelor of Science [BSc Chemistry], 1971 PhD [MPhil Chemistry] in the picture, is in the form of a lion, Mecklenburg High School in Charlotte. Dr V J Lees - 2004 Master in Science [MSci Chemistry], 2012 PhD [Research Chemistry] 97mm high. It is inset with some Dr A J W Lobo - 2007 Master in Science [MSci Chemistry] and 2012 Doctor in Engineering [EngD Molecular Modelling & Materials Simulation] small rubies or garnets, and has the I hope one day to be able to visit UCL when one of my trips home coincides with a Dr D J Machin - 1957 Bachelor of Science, 1960 PhD artist’s name on the base in Japanese suitable event. Dr S C Mangles - 2002 Master in Science [MSci Chemistry], 2006 PhD [Research Chemistry] calligraphy. The head comes off, and Dr D P Mann - 2005 PhD [Research Chemistry] inside is a removable dish for burning Dr V Martis - 2012 Doctor in Engineering [EngD Molecular Modelling & Materials Simulation] the incense. The smoke comes out Mr BJ Merrifield - 2003 Master in Science [MSci Chemistry] though the lion’s mouth, nose, eyes Mrs H Nathwani - 2009 Master in Science [MSci Medicinal Chemistry] and ears. Chemistry on Facebook and LinkedIn Professor R V Parish - 1955 Bachelor of Science, 1958 PhD Dr J Patel - 2003 Master in Science [MSci Chemistry], 2007 PhD [Research Chemistry] The medal and plaque have been The Chemistry Department can now be found on Facebook. The UCL Chemistry Mrs S P Peters - 1980 Bachelor of Science [BSc Chemistry] donated to the department, and the Public Science page is the place to find out about up and coming events, see what Dr R Peters - 1977 Bachelor of Science, 1981 PhD lion has been given to us on long-term members are involved in as well as a great way to socialise with like minded people. Dr Matthew Edward Popkin - 1998 PhD [MPhil Chemistry] loan. Unfortunately it is probably too The link is http://www.facebook.com/groups/uclchempubsci/ Dr A F Richards - 1961 Bachelor of Science, 1964 PhD valuable to be shown in the display Professor E A Robinson - 1955 Bachelor of Science [BSc Chemistry], 1958 PhD [MPhil Chemistry] cabinet in the foyer. As well as this, the UCL Chemistry Alumni Group have set up a page Mr M L Rudkins - 1957 Bachelor of Science on LinkedIn. Another great way to hear about events, catch up with old Professor J E Salmon - 1942 Bachelor of Science [BSc Chemistry], 1948 PhD [MPhil Chemistry] colleagues and friends and make new connections. You can find the group at: Dr BK Sharma - 2003 Master in Science [MSci Chemistry], 2010 PhD [Research Chemistry] http://www.linkedin.com/groups?gid=4731540&trk=hb_side_g Dr A I Sotowicz - 1976 Bachelor of Science [BSc Chemistry] Dr D R Stanley - 1976 Bachelor of Science [BSc Chemistry] Professor Thomas W Swaddle - 1958 Bachelor of Science Miss R Unadkat - 2012 Master in Science [MSci Chemistry] Mr R H Unthank - 1963 Bachelor of Science [BSc Chemistry] We have made every attempt to ensure the information contained in this list is accurate and up to date. Should you have any Calling all Alumni queries, please contact Mr James Davis from the Alumni and Relations Department via email at [email protected] We would love to hear about your career and life since leaving UCL, with a view to possibly including your story in the next Newsletter. To join your colleagues already enhancing the lives of students and staff in the Chemistry Department please visit the alumni pages on the Chemistry website http://www.ucl.ac.uk/chemistry/alumni and follow the ‘give a gift link’. You can also download a gift If you would be willing to write a piece for the next Newsletter, please contact, form from the following link: http://www.ucl.ac.uk/makeyourmark/how-to-give Nicola Best via email: The UCL Development & Alumni Relations Office Data Protection statement is available at http://www.ucl.ac.uk/development/operations/data_protection. with subject heading “Newsletter Alumni”. Please contact us if you would prefer a printed copy. [email protected]

22 UCL Chemistry NEWSLETTER UCL Chemistry NEWSLETTER 23 RESEARCH HIGHLIGHTS RESEARCH HIGHLIGHTS

THE ADVION EXPRESSION CMS - COMING TO THE CHEMISTRY DEPARTMENT AT UCL ON WEDNESDAY 22ND OCTOBER BETWEEN Research by Prof Coveney Safer and more sustainable From UCL to UCI 11AM AND 2PM – POP DOWN FOR A CHAT! By Enrico Berardo highlighted on the BBC materials for manufacuring  Designed for  High Chemists performance Research by Professor Peter Coveney on how computational An exciting new project has recently started in the This summer, thanks to a Thomas Young Centre Junior  biomedicine could be used to deliver personalised Chemistry Department, funded by EPSRC (£2.3m) and Research Fellowship, I had the chance to visit the group of  Highly versatile Compact medicine, reported at the 2014 American Association for led by Prof Claire Carmalt (co-investigators Profs Jawwad Professor Furche at the University of California Irvine. the Advancement of Science (AAAS) meeting in the Virtual Darr, Ivan Parkin, Eric Fraga and Panagiota Angeli all from  Affordable  Real-time analysis Humans: Helping Faciliate Breakthroughs in Medicine sub- UCL, linking in with a team from Loughborough University, The focus of Furche’s group is the theoretical development symposium (an audio file of the symposium is available for led by Prof Paul Conway). This project will develop new of electronic structure methods, which are then implemented  Walk-up, open  Easy-to-use access system purchase on the AAAS website) and featured in the Journal manufacturing routes towards sustainable and inexpensive in Turbomole, a quantum chemistry package with thousands of Chemical Theory and Computation, has been highlighted high quality transparent conducting oxide (TCO) films and of users worldwide (some of them are at UCL). on the BBC Science and Environment News website. printed tracks on float glass and plastics. These materials are used in window coatings, solar powered panels, phones The purpose of my visit was to learn how to model excited New Forensic apps coming soon! To see the full story, please go to and computers and micro electrode arrays. This research state dynamics on semiconductor nanoparticles, in order http://www.bbc.co.uk/news/science-environment-26213522 project presents a significant prospect for materials to grasp dynamic effects such as relaxation rates or even substitution, to replace the widely used indium, which is predict chemical reactions, after an optical absorption has taken place. During my short visit at UCI, I was able This graphic depicts how one gets from the patient’s scarce and tin, which is expensive. to produce and analyse a great amount of results on the particular viral sequence for the HIV protease to a ranked photo-reactivity of titania’s particles in the presence of water; list of treatments, after going through multiple simulations The vision of the project is to establish sustainable scaled-up Wednesday 22nd October 2014 to find the drug molecule most likely to bind to the protease all this work will be part of a chapter of my PhD thesis on routes to realise TCO materials that utilise earth abundant and block its activities. modelling of excited state properties of TiO nanoparticles elements, such as titanium and zinc, using aerosol and 2 1pm - 2pm for photocatalytic applications. ink delivery systems. This project is at the forefront of manufacturing and materials research and addresses the During my stay all the members of Furche’s group have Chemistry Lecture Theatre, CIB challenge in moving from small-scale lab samples to large been very welcoming and kind; every day we would area applications. It is substantially supported by industry adventure ourselves in interesting and stimulating scientific “The expression CMS – High with involvement from Pilkington NSG, Sun Chemical, Teer discussions. The University of California Irvine has been a Coatings, Xaar, Akzo Nobel and Malvern Instruments. very pleasant place to study and learn, for example walking Performance Compact Mass down the corridors of the Chemistry Department I would Spectrometer” often meet Prof. Kieron Burke, the famous B in the PBE functional in Density Functional Theory….always a thrill for by Dr Hannah Moore a DFT geek like me. Advion is a leader in high performance, small Apart from science, I also had the chance to appreciate footprint mass spectroscopy for life science, which living in a small sunny town such as Irvine, play tons of deliver speed, flexibility, ease-of use, reliability and basketball in early morning sessions and visit the natural exceptional data quality. wonders of southern and northern California.

The expression CMS is a new high performance Image: Peter Coveney holds up a model of the HIV protease mass spec, yet half the size of conventional single and a blocking drug molecule quadrupole systems. Its compact size allows it to be placed in a fume hood or on the bench for direct access and immediate results for chemists requiring mass confirmation, reaction monitoring, QC and purity analysis.

A potential application of a transparent conducting oxide It is also starting to find significant applications for thin-film in a micro electrode array used to analyse living food safety and forensic analysis, amongst others. cells. Credit: Loughborough University Advion would like to take this opportunity to give a presentation showing the applications of the CMS for both research purposes as well as some interesting ideas for undergraduate teaching.

24 UCL Chemistry NEWSLETTER UCL Chemistry NEWSLETTER 25 GRANTS AND AWARDS GRANTS AND AWARDS

Distinctive: Decommissioning, Immobilisation and Reducing the Cost and Prolonging the Durability of • Professor Nik Kaltsoyannis, in collaboration with colleagues New Grants and Awards Storage Solutions for Nuclear Waste Inventories Hydrogen Fuel Cell Systems by In-Situ Hydrogen from several other UK universities, has been awarded £4.9M £439,758 by the EPSRC for a consortium entitled “Decommissioning, Computer – Aided Design of Degradable MG-Based Purification and Technology Hybridization (HYFCAP) EPSRC Immobilisation and Storage solutions for NuClear waste Metallic Glasses for Safe Medical Implantation £890,242 PI: Prof Nik Kaltsoyannis 10-Feb-14 Inventories (DISTINCTIVE)”. The other UCL academics £98,047 EPSRC associated with the consortium, who will each supervise EPSRC PI: Prof Xiao Guo 01-Nov-13 Laser-Induced Photochemistry in Continuous Flow Reactors industry-funded PhD projects affiliated to DISTINCTIVE, are PI: Dr Jamieson Christie 01-Jul-14 £155,460 Nanopores Built from Folded DNA: Nanometrological Dr Andy Kerridge and Dr Paola Lettieri (Chemical Engineering). EPSRC First Principles Design of Novel Ammonia Synthesis Catalysts Characterisation and Biotechnological Exploitation PI: Prof Jawwad Darr 01-Feb-14 £322,480 £28,129 • Chris Matthews won the GlaxoSmithKline Travel Award EPSRC Photoelectron Spectroscopy in a Liquid Microjet: Unravelling NPL MANAGEMENT LTD lectures 2013 for his talk entitled ‘Synthesis of Novel Isoform PI: Prof Richard Catlow 01-Jul-14 the Excited State Dynamics of Photoactive Proteins PI: Dr Stefan Howorka 04-Oct-13 Selective Histone Deacetylase Inhibitors Containing Chiral Heterocyclic Capping Groups’. £724,151 Computationally Designed Templates for Exquisite Systems Chemistry: Investigating the Chemical Origins EPSRC The award for £400 is to be used to attend a conference. of Life Control of Polymorphic Form Many congratulations go to all the speakers. PI: Prof Helen Fielding 01-Feb-14 £111,113 SIMONS FOUNDATION £859,382 PI: Dr Matthew Powner 01-Jun-14 An in Operando Study of Solid State Transformations of EPSRC • Simon Banks held an Invited Professorship at the Ecole Catalysts PI: Prof Sally Price 01-Oct-13 Normale Superieure de Lyon in Lyon, France during Tuning FHI-AIMS for Complex Simulations on Cray HPC £162,500 June/July 2013. Platforms Knowledge LED Structure Prediction for Nanostructures BP INTERNATIONAL LTD £665,123 £94,098 • Jamie Baker, Steve Caddick and Kerry Chester have been PI: Dr Andrew Beale 01-Jan-14 EPSRC EDINBURGH UNIVERSITY awarded £500k from the BBSRC for a follow on award. PI: Dr Scott Woodley 01-Oct-13 PI: Dr Scott Woodley 01-Jun-14 NanoSim: a Multiscale Simulation-Based Design Platform A Chemical Technology to Generate Homogeneous for Cost-Effective CO2 Capture Processes Using Nano- SI2-CHE: Collaborative Research: Developing First • Paul McMillan, Furio Cora and Andrea Sella have been Antibody-Drug-Conjugates (ADCS) and Bispecifics Structured Materials Principles Monte Carlo Methods for Reactive Phase and awarded £600k from EPSRC for research into carbon £455,748 £354,005 Sorption Equilibria in the CP2K Software Suite nitrides. BBSRC EUROPEAN COMMISSION FP7 £390,309 PI: Prof Xiao Guo 01-Jan-14 EPSRC • Christoph Salzmann received the International Exchanges PI: Dr Jamie Baker 01-May-14 PI: Dr Ben Slater 26-Sep-13 Grant 2013 with the Project title: “Two-dimensional infrared Studies to Develop Multienzymatic, Multistep Synthesis Metal-Free Materials for Energy Applications spectroscopy of high-pressure phases of ice” from the Royal £606,612 Routes for Selected Novartis Compounds Integrated Computational Solutions for Catalysis Society. £154,982 EPSRC £1,215,346 NOVARTIS PHARMA AG PI: Prof Paul McMillan 01-May-14 EPSRC • Prof Geoff Thornton has been awarded the 2014 British PI: Prof Helen Hailes 01-Jan-14 PI: Prof Nora De Leeuw 15-Sep-13 Vacuum Council Senior Prize and John Yarwood Memorial Mixtures of Large Hydrophobes and Amorphous Ice: Phosphoro-Strecker Reaction: Amino Acid Synthesis and Medal. New Directions in Ice Research Development of Industry-Ready Technology for the £119,421 Phosphoryl Activation Construction of Next Generation Antibody Therapeutics £189,794 • Professor Ivan Parkin has been awarded the The Royal LEVERHULME TRUST for the Stevenage Bioscience Catalyst LEVERHULME TRUST Society Armourers & Brasiers’ Company Prize 2014. This PI: Dr Christoph Salzmann 01-May-14 £200,000 award is made for excellent use-inspired research on PI: Dr Matthew Powner 16-Dec-13 NATIONAL INSTITUTE FOR HEALTH RESEARCH structural or functional materials that is both fundamental Medical Bioinformatics: Data-Driven Discovery for PI: Prof Stephen Caddick 01-Sep-13 and for the benefit of society. Personalised Medicine Computer-Aided Design of Bioactive Phosphate Glasses £5,390,004 for Medical Implantation UK-Africa Research Consortium in Renewable Energy: • Christoph Salzmann has been awarded a visiting MRC £12,000 New Materials for a Sustainable Energy Future professorship at the University of Rome Tor Vergata. PI: Prof Peter Coveney 01-Apr-14 ROYAL SOCIETY £28,200 PI: Dr Jamieson Christie 01-Dec-13 ROYAL SOCIETY Metagenomics for New Enzyme Discovery and Industrial PI: Prof Nora De Leeuw 01-Sep-13 • The Chemistry department’s Green Impact team Biocatalysis KCL-UCL Comprehensive Cancer Imaging Centre “All the good names Argon” won the Platinum £472,106 £78,707 award at this year’s Green Impact Awards. This is BBSRC CANCER RESEARCH UK thanks to the hard work of all the members of the Green PI: Prof Helen Hailes 01-Apr-14 PI: Prof Alethea Tabor 01-Dec-13 Impact Team! We want to encourage more people in the Prize/Awards department to become more sustainable, especially starting Synthesis of Novel Conjugated Polymers Inspired by Nature Integrating modelling and Experimental Approaches to • A proposal submitted by F. Foglia, R. Hazael and P.F. McMillan this September when the friendly competition heats up £13,530 Investigate Adventitious Agerelated Collagen to the FRM-II reactor neutron source in Munich, German on again – email us at [email protected] ROYAL SOCIETY Crosslinking in Skeletal Tissues “Eater dynamics in mutant Shewanella oneidensis at high For more information: PI: Dr Hugo Bronstein 31-Mar-14 £308,313 pressure” was listed as a scientific proposal highlight. https://www.ucl.ac.uk/greenucl/greenucl-news-publication/ BBSRC green-impact-awards-2014 Real-Time H2 Purification and Monitoring for Efficient and PI: Prof Nora De Leeuw 04-Nov-13 • Thomas Varley and Sandy MacRobert (UCL DIVISION OF Durable Fuel Cell Vehicles • Rona Watson was a member of the team who won the £1,005,821 Bio-Inspired Sulfide Nanocatalysts: From Proof of SURGERY AND INTERVENTIONAL SCIENCE) have been Concept to ‘Real’ Catalysis awarded a Small Research Grant of £5k from the UCL prize for the best group presentation at the Directed EPSRC Assemblies Summer School in Cambridge on 6-11th July PI: Prof Xiao Guo 14-Mar-14 £1,057,597 Institute of Making. EPSRC 2014. Sustainable Manufacturing of Transparent Conducting PI: Prof Nora De Leeuw 01-Nov-13 • Christoph Salzmann and Ben Cox (UCL Medical Physics Oxide (TCO) Inks and Thin Films and Bioengineering) have been awarded a “Small Research • Prof. Andrea Sella has been awarded the Royal Society £2,209,272 Materials Chemistry High End Computing Consortium Grant” (£5k) from the UCL Institute of Making. Faraday Prize for his work in the communication of science. EPSRC £384,732 PI: Prof Claire Carmalt 01-Mar-14 EPSRC • Professor Richard Catlow has been elected a member • Prof. Steve Price was awarded the Schrodinger Medal of PI: Prof Richard Catlow 01-Nov-13 of the Academia Europaea. the Austrian Chemical Society for his work in multiple Two-Dimensional Infrared Spectroscopy of High-Pressure charged ions. Phases of Ice £6,000 ROYAL SOCIETY PI: Dr Christoph Salzmann 01-Mar-14 26 UCL Chemistry NEWSLETTER UCL Chemistry NEWSLETTER 27 PUBLICATIONS PUBLICATIONS

This information was correct at the time of J. C. Anderson, H. Grounds, G. Szalóki, M. O. Bernabeu, C. A. Franco, M. Jones, S. F. Buchsbaum, N. Mitchell, H. Martin, J. K. Christie, R. I. Ainsworth, D. Di Tommaso, V. Diesen, C. W. Dunnill, E. Osterberg, print, collated via UCL IRIS (Institutional Synthesis of planar chiral ferrocenyl J. H. Nielsen, T. Krüger, R. W. Nash, & P. V. M. Wiggin, A. Marziali, P. V. Coveney, & & N. H. de Leeuw, Nanoscale chains control I. P. Parkin, M. Jonsson, Silver enhanced Research Information Service). cyclopentadienyl chelate ligand Coveney, Computer simulations reveal S. Howorka, Disentangling Steric and the solubility of phosphate glasses for TiO2 thin films: photocatalytic precursors. Tetrahedron: Asymmetry, (2013) complex distribution of haemodynamic Electrostatic Factors in Nanoscale biomedical applications. The Journal of characterization using aqueous solutions Abraham, M. H. Human Intestinal 24, 1023-1034. forces in a mouse retina model of Transport Through Confined Space. Physical Chemistry B, (2013) 117, 10652-10657. of tris(hydroxymethyl)aminomethane. Absorption – Neutral Molecules and Ionic angiogenesis. arXiv preprint arXiv, (2013). Nano letters, (2013) 13, 3890-3896. Dalton transactions, (2014) 43, 344 - 351. J. Pharm. Sci., 103 (2014) 1956-1966. Species. J. C. Anderson, A. S. Kalogirou, M. J.Porter, V. Chudasama, A. R. Akhbar, K. A. Bahou, & G. J. Tizzard, Synthesis of the reported D. S. Bhachu, S. Sathasivam, C. J. Carmalt, J. Buckeridge, D. O. Scanlon, C. R. A. Catlow, R. J. Fitzmaurice, & S. Caddick, Metal-free, C. A. Downing, A. A. Sokol, C. R. A. Catlow, M. H. Abraham, J. M. R. Gola, A. Ibrahim, structure of piperazirum using a nitro- I. P. Parkin, PbO-Modified TiO Thin Films: A. Walsh, Automated procedure to hydroacylation of C[double bond, length The reactivity of CO on the MgO(100) W. E Acree, Jr., and X. Liu, The prediction 2 2 . Physical Chemistry Chemical of blood-tissue partitions, water-skin Mannich reaction as the key stereochemical A Route to Visible Light Photocatalysts. determine the thermodynamic stability as m-dash]C and N[double bond, length surface partitions and skin permeation for determining step. Beilstein journal of Langmuir, (2014) 30, 624 - 630. of a material and the range of chemical as m-dash]N bonds via aerobic C-H Physics, (2014) 16, 184 - 195. agrochemicals, Pest. Manag. Sci., 70 organic chemistry, (2013) 9, 1737-1744. potentials necessary for its formation activation of aldehydes, and reaction (2014) 1130-1137. M. O. Blunt, J. Adisoejoso, K. Tahara, relative to competing phases and of the products thereof. Organic & C. A. Downing, B. Ahmady, C. R. A, Catlow, P. L. Arnold, J. H. Farnaby, R. C. White, N. K. Katayama, M. Van der Auweraer, Y. Tobe, compounds. Computer Physics Biomolecular Chemistry, (2013) 11, 7301-7317. & N. H. de Leeuw, The interaction of M. H. Abraham, J. M. R. Gola, A. Ibrahim, Kaltsoyannis, M. G. Gardiner, J. B. Love, & S. De Feyter, Temperature-induced Communications, (2014) 185, 330 - 338. hydrogen with the {010} surfaces of Mg W. E Acree, Jr., and X. Liu, A simple Switchable pi-coordination and C-H structural phase transitions in a H. E. Colley, V. Hearnden, M. Avila-Olias, and Fe olivine as models for interstellar method for estimating in vitro air- metallation in small-cavity macrocyclic two-dimensional self-assembled J. Buckeridge, D. O. Scanlon, T. D. Veal, D. Cecchin, I. Canton, J. Madsen, G. Battaglia, dust grains: a density functional theory tissue and in vivo blood-tissue partition uranium and thorium complexes. Chemical network. Journal of the American Chemical M. J. Ashwin, A. Walsh, C. R. A. Catlow, N Polymersome-mediated delivery of study. Philosophical Transactions of the coefficients, Chemosphere, 120 (2015) Science, (2014) 5, 756 - 765. Society, (2013) 135, 12068-12075. incorporation and associated localized combination anticancer therapy to head Royal Society A: Mathematical, Physical and 188-191. vibrational modes in GaSb. Physical review and neck cancer cells: 2D and 3D in vitro Engineering Sciences, (2013) 371. J. R. Baker, Bromo- and thiomaleimides J. Borgdorff, A. G. Hoekstra, M. Mamonski, B, (2014) 89. evaluation. Molecular Pharmacy, (2014) 11, A, Wilson, A. Tian, N. Dabadge, W. E. Acree, as a new class of thiol-mediated B. Bosak, K. Kurowski, M. Ben Belgacem, 1176 - 1188. N. Y. Dzade, A. Roldan, & N. H. de Leeuw, Jr., M. A. Varfolomeev, I. T. Rakipov, S. M fluorescence ‘turn-on’ reagents. Organic & P. V. Coveney, Distributed multiscale C. Butchosa, T. O. McDonald, A. L. Cooper, Adsorption of methylamine on Arkhipova and M. H. Abraham, Enthalpy Biomolecular Chemistry, (2013) , 557-560. computing with MUSCLE 2, the Multiscale D. J. Adams, , M. Coreno, M. de Simone, J. C. Green mackinawite (FES) surfaces: A density of solvation correlations for organic 12 M. A. Zwijnenburg Shining , solutes and gases in dichloromethane Coupling Library and Environment. Journal a Light on s-Triazine-Based Polymers. N. Kaltsoyannis, R. Coates, C. Hunston, functional theory study. Journal of and 1,4-dioxane, Struct. Chem., 24 (2013) J. R. Baker, F. F. Schumacher, S. Caddick, of Computational Science, (2014), 719-731. Journal of physical chemistry C, (2014) 118, A. Sella, Variable photon energy Chemical Physics, (2013) 139, 124708. 1841-1853. M. E. B. Smith, V. Chudasama, and A. Maruani., 4314 - 4324. photoelectron spectroscopy of tris- Chemical modification of antibodies. M. Bowker, C. Morton, J. Kennedy, H. Bahruji, cyclopentadienyl lanthanides. Dalton V. Ferracci, D. M. Rowley, Kinetic studies M. H. Abraham and W. E. Acree, Jr., On Patent, (2013). J. Greves, W. Jones, N. Dimitratos, K. T. Butler, J. Buckeridge, C. R. A. Catlow, Transactions, (2014) 43, 5134 - 5141. of the BrO plus ClO cross-reaction over the solubility of quercetin, J. Mol. Liquids, Hydrogen production by photoreforming A. Walsh, Crystal electron binding energy the range T=246-314 K. Physical Chemistry 2014, 197, 157-159. G. Battaglia J. Madsen, I. Canton, N. J. Warren, of biofuels using Au, Pd and Au-Pd/TiO and surface work function control of tin S. J. Cox, Z. Raza, S. M. Kathmann, B. Slater, Chemical Physics, (2014) 16, 1182 - 1196. E. Themistou, A. Blanazs, B. Ustbas, & S. P. photocatalysts. Journal of Catalysis, (2014) dioxide. Physical review B, (2014) 89. & A. Michaelides, The microscopic A. Akinc, & G. Battaglia, Exploiting G. Armes, Nile Blue-Based Nanosized pH 310, 10 - 15. features of heterogeneous ice nucleation P. Ferretti, B. Vagaska, R. Merchant, endocytosis for nanomedicines. Cold Sensors for Simultaneous Far-Red and J. J. Carey, J. P. Allen, G. W. Watson, may affect the macroscopic morphology C. J. Matthews, & C. M. Marson, Discovery Spring Harbor Perspectives in Biology, Near-Infrared Live Bioimaging. Journal of D. E. Braun, R. M. Bhardwaj, J. B. Arlin, D. O. Scanlon, The electronic structure of atmospheric ice crystals. Faraday of a structurally novel, drug-like and (2013) 5, 16980. the American Chemical Society, (2013) 135, A. J. Florence, V. Kahlenberg, U. J. Griesser, of the antimony chalcogenide series: discussions, (2013) 167, 389-403. potent inhibitor of peptidylarginine 14863-14870. & S. L. Price, Absorbing a little water: Prospects for optoelectronic applications. deiminase. MedChemComm, (2013) 4, M. Alhumaimess, Z. Lin, N. Dimitratos, N. The structural, thermodynamic, and Journal of Solid State Chemistry, (2014) 213, S. M. Currie, E. G. Findlay, B. J. McHugh, 1109-1113. F. Dummer, M. Conte, S. H. Taylor, L. Lu, J. C. Bear, N. Hollingsworth, P. D. McNaughter, kinetic relationship between pyrogallol 116 - 125. A. Mackellar, T. Man, D. Macmillan, & D. J.

Oxidation of benzyl alcohol and carbon A. G. Mayes, M. B. Ward, T. Nann, & I. P. and its tetarto-hydrate. Crystal growth & Davidson, The human cathelicidin LL-37 M. Fischer, & R. G. Bell, Modeling CO2 monoxide using gold nanoparticles Parkin,., Copper-Doped CdSe/ZnS design, (2013) 13, 4071-4083. L. Castañeda, J. R. Baker, A. Maruani, has antiviral activity against respiratory Adsorption in Zeolites Using DFT-Derived supported on MnO nanowire Quantum Dots: Controllable Photoactivated F. F. Schumacher, E. Miranda, V. Chudasama, syncytial virus. PloS one, (2013) 8. Charges: Comparing System-Specific microspheres. Chemistry - A European Copper(I) Cation Storage and Release D. E. Braun, J. A. McMahon, L. H. Koztecki, K. A. Chester, & S. Caddick, Acid-cleavable and Generic Models. Journal Of Physical Journal, (2014) 20, 1701 - 1710. Vectors for Catalysis. Angewandte Chemie S. L. Price, S. M. Reutzel-Edens, thiomaleamic acid linker for homogeneous S. P. Dakua, N. V. Navkar, J. Abi-Nahed, Chemistry C, (2013) 117, 24446-24454. International Edition, (2013) 53, 1598-16 Contrasting Polymorphism of Related antibody–drug conjugation. Chemical D. Groen, M. O. Bernabeu, P. V. Coveney, A. E. Aliev, & D. Courtier-Murias, Concise Small Molecule Drugs Correlated and Communications, (2013) 49, 8187-8189. A. Al-Ansari, Towards a computational J. D. Fletcher, M. A. Parkes, & S. D. Price, NMR Approach for Molecular Dynamics A. C. Behrle, C. L. Barnes, N. Kaltsoyannis, Guided by the Computed Crystal Energy system to support clinical treatment Bond‐Forming Reactions of Small Characterizations in Organic Solids. The & J. R. Walensky, Systematic investigation Landscape. Crystal growth & design, (2014) N. Chadwick, S. Sathasivam, A. Kafizas, decisions for diagnosed cerebral Triply Charged Cations with Neutral Journal of Physical Chemistry A, (2013) 117, of thorium(IV)- and uranium(IV)-ligand 14, 2056 - 2072. S. M. Bawaked, A. Y. Obaid, S. Al-Thabaiti, aneurysms. Middle East Conference on Molecules. Chemistry-A European 7855-7862. bonding in dithiophosphonate, C. J. Carmalt, Combinatorial aerosol Biomedical Engineering, (2014) 281 - 284. Journal, (2013) 19, 10965-10970. thioselenophosphinate, and H. Bronstein, M. Hurhangee, E. C. Fregoso, assisted chemical vapour deposition of a

A. E. Aliev, M. Kulke, H. S. Khaneja, V. diselenophosphonate complexes. D. Beatrup, Y. W. Soon, Z. Huang, & I. photocatalytic mixed SnO2/TiO2 thin film. P. Dhankher, T. D. Sheppard, A convenient J. Gaitzsch, D. Appelhans, A. Janke, Chudasama, T. D. Sheppard, & R. M. Inorganic chemistry, (2013) 52, 10623-10631. McCulloch, Isostructural, deeper highest Journal of materials chemistry A, (2014) 2, synthesis of tri- and M. Strempel, P. Schwille, B. Voit, Cross- Lanigan, Motional timescale predictions occupied molecular orbital analogues 5108 - 5116. tetramethylbenzaldehydes from readily linked and pH sensitive supported by molecular dynamics simulations: Case E. Berardo, H. S. Hu, K. Kowalski, & M. A. of poly(3-hexylthiophene) for high- available phenols. Synlett, (2014) 25, 381 - 384. polymer bilayers from polymersomes - study using proline and hydroxyproline Zwijnenburg, Coupled cluster calculations open circuit voltage organic solar cells. J. K. Chavda, P. A. Procopiou, P. N. Horton, studies concerning thickness, rigidity and

sidechain dynamics. Proteins: Structure, on TiO2 nanoclusters. The Journal of Chemistry of Materials, (2013) 25, 4239-4249. S. J. Coles, M. J. Porter, Synthetic D. Di Tommaso, E. Ruiz-Agudo, N. H. de Leeuw, fluidity. Soft Matter, (2014) 10, 66 - 73. Function, and Bioinformatics, (2013) 82, 195- chemical physics, (2013) 139. Studies Towards the Core Structure of A. Putnis, C. V. Putnis, Modelling the 215. H. Bronstein, E. Collado‐Fregoso, A. Hadipour, Nakadomarin A by a Thioamide-Based effects of salt solutions on the hydration J. Gaitzsch, V. Rogachev, M. Zahel, P. Metz, E. Berardo, H. S. Hu, S. A. Shevlin, S. M. Y. W. Soon, Z. Huang, S. D. Dimitrov, & Strategy. European Journal of Organic of calcium ions. Physical Chemistry Synthesis of m-Terphenyl Derivatives via J. P. Allen, J. J. Carey, A. Walsh, D. O. Woodley, K. Kowalski, M. A. Zwijnenburg, I. McCulloch, Thieno[3,2-b]thiophene- Chemistry, (2014) 2014, 129 - 139. Chemical Physics, (2014) 16, 7772 - 7785. Domino Diels-Alder/Retro-Diels-Alder

Scanlon, & G. W. Watson, Electronic Modeling Excited States in TiO2 diketopyrrolopyrrole containing polymers Reaction of 1,3-Dienic delta-Sultones with structures of antimony oxides. The Journal Nanoparticles: On the Accuracy of a for inverted solar cells devices with high C. Chew, P. Bishop, C. Salcianu, C. J. Carmalt, V. Diesen, M. Jonsson, & I. P. Parkin, Alkynes. Synthesis-Stuttgart, (2014) 46, of Physical Chemistry C, (2013) 117, 14759- TD-DFT Based Description. Journal of short circuit currents. Advanced Functional I. P. Parkin, Aerosol-assisted deposition of Improved Texturing and Photocatalytic 531 - 536.

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28 UCL Chemistry NEWSLETTER UCL Chemistry NEWSLETTER 29 PUBLICATIONS PUBLICATIONS

M. R. Gill, D. Cecchin, M. G. Walker, S. Irrera, G. Portalone, N. H. De Leeuw, A. Kerridge, f-Orbital covalency in the C. Marculescu, H. Kossen, R. E. Morgan, A. K. Mishra, M. R. Marvel, K. R. Poeppelmeier, R. Pang, M. Guo, S. Ling, & Z. Lin, R. S. Mulla, G. Battaglia, C. Smythe, & Chemisorption of uracil on gold surfaces actinocenes (An = Th-Cm): P. Mayer, S. A. Fletcher, B. Tolner, J.R. Baker, U. V. Waghmare, Competing Cation–Anion Thorough theoretical search of J. A. Thomas, Targeting the endoplasmic via density functional theory. Surface multiconfigurational studies and Aryloxymaleimides for cysteine Interactions and Noncentrosymmetry in conformations of neutral, protonated and reticulum with a membrane-interactive Science, (2013) 614, 20-23. topological analysis. RSC Advances, modification, disulfide bridging and the Metal Oxide-Fluorides: A First-Principles deprotonated glutamine in gas phase. luminescent ruthenium(ii) polypyridyl (2014) 4, 12078 - 12086. dual functionalization of disulfide bonds. Theoretical Study. Crystal Growth & Design, Computational and Theoretical Chemistry, complex. Chemical Science, (2013) 4, S. Ishikawa, T. D. Sheppard, J. M. D’Oyley, Chemical Communications (Cambridge), (2013) 14, 131-139. (2013) 1020, 14-21. 4512-4519. A. Kamimura, & W. B. Motherwell, A F. D. King, A. E. Aliev, S. Caddick, & (2014) 50, 7139-7142. Rapid Route to Aminocyclopropanes D. A. Tocher, The triflic acid-mediated S. J. A. Moniz, R. Quesada-Cabrera, I. P. Parkin, The deposition of crystallized

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the properties of (AuAg)147. Physical International Edition, (2013) 52, 10060- chemistry, (2013) 78, 10938-10946. M. Heeney, Benzocarborano[2,1-b:3,4-b cost CVD route to thin films of BiFeO3 for Coatings Technology, (2013). Chemistry Chemical Physics, (2014). 10063. ‘]dithiophene Containing Conjugated efficient water photo-oxidation. Journal of H. E. King, H. Satoh, K. Tsukamoto, & Polymers: Synthesis, Characterization, Materials Chemistry A, (2014) 2, 2922 - 2927. W. Paszkowicz, S. M. Woodley, P. Piszora, D. C. Grinter, C. L. Pang, G. Thornton, A S. Islam, & I. Larrosa, “On Water”, A. Putnis, Nanoscale Observations of and Optoelectronic Properties. B. Bojanowski, J. Piętosa, Y. Cerenius, Scanning Tunneling Microscopy Study of Phosphine-Free Palladium-Catalyzed Magnesite Growth in Chloride-And Macromolecules, (2014) 47, 89 - 96. Y. G. Morozov, D. Ortega, O. V. Belousova, & C. Martin, Equation of state of

Ultrathin Film Rutile TiO2(110) Supported Room Temperature C2H Arylation of Sulfate-Rich Solutions. Environmental I. P. Parkin, & M. V. Kuznetsov, Some CaMnO3: a combined experimental and on W(100)-O(2 x 1). Journal Of Physical Indoles. Chemistry - A European Journal, science & technology, (2013) 47, 8684-8691. C. M. Marson, C. J. Matthews, E. peculiarities in the magnetic behavior computational study. Applied Physics A, Chemistry C, (2013) 117. (2013) 19, 15093-15096. Yiannaki, S. J. Atkinson, P. E. Soden, L. of aerosol generated NiO nanoparticles. (2013) 112, 839-845. H. Kitching, A. J. Kenyon, I. P. Parkin, Shukla, & N. S. B. Thomas, Discovery of Journal Of Alloys And Compounds, (2013) D. C. Grinter, C. M. Yim, C. L. Pang, B. Santos, S. D. Jacques, M. Di Michiel, S. A. Kimber, The interaction of gold and silver Potent, Isoform-Selective Inhibitors of 572, 150-157. C. Pegoraro, D. Cecchin, J. Madsen, N. Warren, T. O. Menteş, A. Locatelli,& G. Thornton, X. Yang, R. J. Cernik, A. M. Beale, & nanoparticles with a range of anionic and Histone Deacetylase Containing Chiral S. P. Armes, S. MacNeil, G. Battaglia, Oxidation State Imaging of Ceria Island S. J. Billinge, Pair distribution function cationic dyes. Physical Chemistry Chemical Heterocyclic Capping Groups and a R. W. Nash, H. B. Carver, M. O. Bernabeu, Translocation of flexible polymersomes Growth on Re (0001). The Journal of Physical computed tomography. Physics, (2014) 16, 6050 - 6059. N-(2-Aminophenyl) benzamide Binding J. Hetherington, D. Groen, T. Krueger, P. V. across pores at the nanoscale. Chemistry C, (2013) 117, 16509-16514. Nature Communications, (2013) 4. Unit. Journal of medicinal chemistry, (2013) Coveney, Choice of boundary condition Biomaterials science, (2014) 2, 680 - 692. M. B. Kunze, D. W. Wright, N. D. Werbeck, 56, 6156-6174. for lattice-Boltzmann simulation of D. J. Groen, Distributed Multiscale A. Kafizas, N. Noor, P. Carmichael, J. Kirkpatrick, P. V. Coveney, & D. F. Hansen, moderate-Reynolds-number flow in H. Peng, D. O. Scanlon, V. Stevanovic, Computing with MUSCLE 2, the Multiscale D. O. Scanlon, C. J. Carmalt, I. P. Parkin, Loop interactions and dynamics tune the H. S. Martin, S. Jha, P. V. Coveney, complex domains. Physical Review E, (2014) 89. J. Vidal, G. W. Watson, & S. Lany, Coupling. Library and Environment, (2013). Combinatorial Atmospheric Pressure enzymatic activity of the human histone Comparative analysis of nucleotide Convergence of density and hybrid

Chemical Vapor Deposition of F: TiO2; deacetylase 8. Journal of the American translocation through protein nanopores S. Noimark, M. Bovis, A. J. MacRobert, functional defect calculations for compound D. Groen, S. Rieder, & S. P. Zwart, MPWide: the Relationship between Photocatalysis Chemical Society, (2013) 135, 17862-17868. using steered molecular dynamics and A. Correia, E. Allan, M. Wilson, & I. P. Parkin, semiconductors. Physical Review B, (2013) a light-weight library for efficient message and Transparent Conducting Oxide an adaptive biasing force. Journal of Photobactericidal polymers; The 88, 115201. passing over wide area networks. arXiv Properties. Advanced Functional Materials, A. J. Logsdail, R. L. Johnston, & J. Akola, Computational Chemistry, (2014) 35, 692-702. incorporation of crystal violet and preprint arXiv, (2013). (2014) 24, 1758 - 1771. Improving the adsorption of au atoms nanogold into medical grade silicone. M. N. Pennell, R. W. Foster, P. G. Turner, and nanoparticles on graphite via Li J. Matharu, G. Cabailh, G. Thornton, RSC Advances, (2013) 3, 18383-18394. H. C. Hailes, C. J. Tame, & T. D. Sheppard,

D. Groen, S. J. Zasada, P. V. Coveney, A. Kafizas, C. J. Carmalt, & I. P. Parkin, intercalation. Journal of Physical Chemistry Synthesis of TiO2(110) ultra-thin films Gold catalysed synthesis of 3-alkoxyfurans

Survey of Multiscale and Multiphysics CVD and precursor chemistry of transition C, (2013) 117. on W(100) and their reactions with H2O. A. Occhioerosso, A. Vasyunin, E. Herbst, at room temperature. Chemical Applications and Communities. Computing metal nitrides. Coordination Chemistry Surface Science, (2013) 616, 198-205. S. Viti, M. D. Ward, S. D. Price, W. A. Brown, Communications, (2013) 50, 1302-13 in Science & Engineering, (2014) 16, 34 - 43. Reviews, (2013) 257. C. Liu, F. Wang, P. Yuan, Z. Guo, J. Yu, Y. Jia, Ethylene oxide and acetaldehyde in hot

Atomistic view of thin Ni/Ni3Al (001) under E. E. McCabe, C. Stock, E. E. Rodriguez, cores. Astronomy & Astrophysics, (2014) 564. S. L. Price, Predicting crystal structures S. Haider, A. Roldan, N. H. de Leeuw, J. M. Kahk, D. L. Sheridan, A. B. Kehoe, uniaxial tension of twist grain boundaries. A. S. Wills, J. W. Taylor, J. S. O.; Evans, of organic compounds. Chemical Society Catalytic Dissociation of Water on D. O. Scanlon, B. J. Morgan, G. W. Watson, RSC Advances, (2014) 4, 4552 - 4557. Weak spin interactions in Mott insulating D. Ortega, M. V. Kuznetsov, Y. G. Morozov, Reviews, (2014) 43, 2098 - 2111.

the (001), (011), and (111) Surfaces of D. J. Payne, The electronic structure of La2O2Fe2OSe2. Physical review B, (2014) 89. O. V. Belousova, & I. P. Parkin, Phase,

Violarite, FeNi2S4: A DFT-D2 Study. Journal silver orthophosphate: experiment and D. Machon, F. Meersman, P. F. McMillan, size and shape controlled formation S. L. Price, Why don’t we find more of Physical Chemistry C, (2014) 118, 1958 - theory. Journal of Materials Chemistry A, M. C. Wilding, M. Wilson, Pressure-induced I. Meager, R. S. Ashraf, S. Rossbauer, of aerosol generated nickel and nickel polymorphs? Acta Crystallographica Section 1967. (2014) 2, 6092 - 6099. amorphization and polyamorphism: H. Bronstein, J. E. Donaghey, J. Marshall, oxide nanoparticles. Journal Of Alloys And B: Structural Science, Crystal Engineering Inorganic and biochemical systems. & I. McCulloch, Alkyl chain extension as Compounds, (2013) 579, 495-501. and Materials, (2013) 69, 313-328. H. C. Hailes, D. Rother, M. Müller, R. Westphal, J. M. Kahk, C. G. Poll, F. E. Oropeza, Progress in Materials Science, (2014) 61, a route to novel thieno [3, 2-b] thiophene J. Ward, J. Pleiss, & M. Pohl, Engineering J. M. Ablett, D. Céolin, J.P. Rueff, D.J. Payne, 216 - 282. flanked diketopyrrolopyrrole polymers for J.M Osborne, O. M. Bernabeu, M. Bruna, A. V. Protchenko, D. Dange, J. R. Harmer, stereoselectivity of ThDP‐dependent D. O. Scanlon, Understanding the use in organic solar cells and field effect B. Calderhead, J. Cooper, N. Dalchau, C. Y. Tang, A. D. Schwarz, M. J. Kelly, S. Aldridge,

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6394. X-ray Photoelectron Spectroscopy and R. Jervis, P. F. McMillan, & D. J. Brett, 5961-5967. computational research. PLOS GaX2, InX2 and TlX2 radicals. Density-Functional Theory. Physical Development of Graphitic-Carbon Computational Biology, (2014) 10. Nature Chemistry, (2014) 6, 315 - 319. I. A. Hassan, I. P. Parkin, S. P. Nair, C. J. Review Letters, (2014) 112, 117601 Nitride Materials as Catalyst Supports I. Meager, R. S. Ashraf, S. Mollinger, Carmalt, Antimicrobial activity of copper for Polymer Electrolyte Fuel Cells. ECS B. C. Schroeder, H. Bronstein, D. Beatrup, M. Ostovar, & C. M. Marson, Enynone D. C. Pugh, E. J. Newton, A. J. T. Naik, and copper(I) oxide thin films deposited S. Kapoor, J. M. F. Ferreira, A. Goel, Transactions, (2013) 58, 1767-1778. & I. McCulloch, Photocurrent Enhancement dihydroxylation–cyclisation as a route to S. M. V. Hailes, I. P. Parkin, The gas via aerosol-assisted CVD. Journal of A. Tilocca, V. Dhuna, G. Bhatia, K. Dhuna, from diketopyrrolopyrrole polymer solar densely functionalised 3 (2H)-furanone sensing properties of zeolite modified Materials Chemistry B, (2014) 2, 2855 - 2860. Role of glass structure in defining the N. Mansor, A. B. Jorge, F. Corà, C. Gibbs, cells through alkyl-chain branching point derivatives: an approach to the core of zinc oxide. Journal Of Materials Chemistry chemical dissolution behavior, bioactivity R. Jervis, P. F. McMillan, D. J. Brett, manipulation. Journal of the American the zaragozic acids. Tetrahedron, (2013) 69, A, (2014) 2, 4758 - 4764. S. Howorka & J. Hesse, Microarrays and and antioxidant properties of zinc and Graphitic Carbon Nitride Supported Chemical Society, (2013) 135, 11537-11540. 6639-6647. single molecules: an exciting combination. strontium co-doped alkali-free Catalysts for Polymer Electrolyte Fuel K. Qiu, Z. X. Guo, Hierarchically porous Soft Matter, (2014) 10, 931 - 941. phosphosilicate glasses. Cells. Journal of Physical Chemistry C F. Meersman, P. F. McMillan, High L. Palacios, H. Rosado, V. Micol, A. E. Rosato, graphene sheets and graphitic carbon Acta Biomaterialia, (2014) 10, 3264 - 3278. Nanomater Interfaces, (2014) 118, 6831 - hydrostatic pressure: A probing tool and P. Bernal, R. Arroyo, P. W. Taylor, nitride intercalated composites for E. Humeres, K. M. de Castro, A. Smaniotto, 6838. a necessary parameter in biophysical Staphylococcal Phenotypes Induced enhanced oxygen reduction reaction. C. N. Lopes, N. A. Debacher, R. D. F. P. A. B. Kehoe, D. J. Temple, G. W. Watson, & chemistry. Chemical Communications, by Naturally Occurring and Synthetic Journal Of Materials Chemistry A, (2014) 2,

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R. Quesada, R. Weng, G. Hyet, R. J. H. Clark, J. W. Rumer, B. C. Schroeder, C. B. Nielsen, D. Scanlon, A. Walsh, Polymorphism A. B. Tabor, Recent advances in synthetic Y. Wang, Z. X. Guo, Enhanced hydrogen S. Zhang, C. Li, S. F. Li, Q. Sun, Z. X. Guo, J. A. Darr, High-Throughput Continuous R. S. Ashraf, D. Beatrup, H. Bronstein, of indium oxide: Materials physics of analogues of lantibiotics: What can we desorption of an ammonia borane and Y. Jia, Intrinsic spin dependent and

Hydrothermal Synthesis of Nanomaterials I. McCulloch, Bis-lactam-based donor orthorhombic In2O3. Physical Review B, learn from these? Bioorganic Chemistry, lithium hydride system through synthesised ferromagnetic stability on edge saturated (Part II): Unveiling the As-Prepared polymers for organic solar cells: (2013) 88. (2014) 55, 39–50. intermediate compounds. Journal Of zigzag graphene-like carbon-nitride CexZryYzO2-delta Phase Diagram. ACS Evolution by design. Thin Solid Films, Materials Chemistry A, (2014) 2, 6801-6813. nanoribbons. Applied Physics Letters, combinatorial science, (2013) 15, 548-463. (2014) 560, 82 - 85. D. O. Scanlon, C. W. Dunnill, J. Buckeridge, K. Tahara, K. Inukai, J. Adisoejoso, H. Yamaga, (2014) 104. S. A. Shevlin, A. J. Logsdail, S. M. Woodley, T. Balandina, M. O. Blunt, & Y. Tobe, O. Wolkenhauer, C. Auffray, O. Brass, A. K. Raha, M. N. Uddin, S. Ghosh, A. R. Miah, A. Salamat, R. Briggs, P. Bouvier, S. Petitgirard, C. R.A. Catlow, I. P. Parkin & A. A. Sokol, Tailoring Surface‐Confined Nanopores J. Clairambault, A. Deutsch, D. Drasdo, B. Zhu, K. Li, J. Liu, H. Liu, C. Sun, C. E. Snape, M. G. Richmond, D. A. Tocher, S. E. Kabir, A. Dewaele, M. E. Cutler, F. Cora & Band alignment of rutile and anatase with Photoresponsive Groups. H. Byrne, F. Gervasio, Enabling multiscale Z. Guo, Nitrogen-enriched and hierarchically

A comparative study of the reactivity of P. F. McMillan, High-pressure structural TiO2. Nature materials, (2013) 12, 798-801. Angewandte Chemie International modeling in systems medicine. Genome porous carbon macro-spheres - ideal for the lightly stabilized cluster [Os-3(CO)(8) transformations of Sn up to 138 GPa: Edition, (2013) 52, 8373-8376. medicine, (2014) 6. large-scale CO2 capture. Journal of Materials

{mu(3)-Ph2PCH2P(Ph)C6H4}(mu-H)] towards Angle-dispersive synchrotron x-ray D. Scanlon, N. Feldberg, J. D. Aldous, Chemistry A, (2014) 2, 5490 - 5498. tri(2-thienyl)-, tri(2-furyl)- and triphenyl- diffraction study. Physical Review B, (2013) W. M. Linhart, L. J. Phillips, K. Durose, S. S. Tafreshi, A. Roldan, N. Y. Dzade, H. C. Wong, Z. Li, C. H. Tan, H. Zhong, phosphine. Journal Of Organometallic 88, 104104. P. A. Stampe, & S. M. Durbin, Growth, N. H. de Leeuw, Adsorption of hydrazine Z. Huang, H. Bronstein, J. R. Durrant, M. A. Zwijnenburg, G. Cheng, T. O. McDonald, Chemistry, (2014) 751, 399 - 411. disorder, and physical properties of on the perfect and defective copper (111) Morphological Stability and Performance K. E. Jelfs, J. X. Jiang, S. Ren, & D. J. Adams,

A. Salamat, M. Deifallah, R. Q. Cabrera, ZnSnN2. Applied Physics Letters, (2013) 103. surface: A dispersion-corrected DFT of Polymer-Fullerene Solar Cells Under Shedding Light on Structure-Property A. Rahaman, F. R. Alam, S. Ghosh, F. Cora, & P. F. McMillan, Identification of new study. Surface Science, (2014) 622, 1-8. Thermal Stress - the Impact of Photo- Relationships for Conjugated Microporous D. A. Tocher, M. Haukka, S. E. Kabir, pillared-layered carbon nitride materials at D. O. Scanlon, J. Buckeridge, C. R. A. Induced PC60BM Oligomerisation. ACS Polymers: The Importance of Rings and G. Hogarth, Reactions of the sigma,pi- high pressure. Scientific reports, (2013) 3. Catlow, G. W. Watson, Understanding E. Themistou, G. Battaglia, S. P. Armes, Nano, (2014) 8,1297–1308. Strain. Macromolecules, (2013) 46, 7696-7704. furyl complex [Fe-2(CO)(6)(mu-Fu)(mu- doping anomalies in degenerate p-type Facile synthesis of thiol-functionalized

PFu(2))] (Fu = C4H3O) with phosphines: A. Salamat, A. L. Hector, P. Kroll, & semiconductor LaCuOSe. Journal Of amphiphilic polylactide-methacrylic K. Woodhead, P. F. McMillan, S. Pascarelli, Carbonyl substitution, migratory carbonyl P.F. McMillan, Nitrogen-rich transition Materials Chemistry C, (2014) 2, 3429 - 3438. diblock copolymers. Polymer Chemistry, A. L. Hector, N. Alderman, R. Briggs, High insertion and cyclometallation-induced metal nitrides. Coordination Chemistry (2014) 5, 1405-1417. pressure polymorphism of β-TaON. Dalton furan elimination. Journal Of Organometallic Reviews, (2013) 257, 2063-2072. M. Schoenherr, B. Slater, J. Hutter, Transactions, (2014) 43, 9647-9654. Chemistry, (2014) 751, 326 - 335. J. VandeVondele, Dielectric Properties of A. Tilocca, Current challenges in atomistic S. Sallis, D. O. Scanlon, S. C. Chae, Water Ice, the Ice Ih/XI Phase Transition, simulations of glasses for biomedical S. B. Woodley, A. A. Sokol, C. R. A. Catlow, A. Rahaman, S. Ghosh, D. G. Unwin, N. F. Quackenbush, D. A. Fischer, J. C. Woicik, and an Assessment of Density Functional applications. Physical Chemistry Chemical A. A. Al-Sunaidi, & S. M. Woodley, Structural

S. Basak-Modi, K. B. Holt, S. E. Kabir, & L. F. J. Piper, La-doped BaSnO3— Theory. Journal Of Physical Chemistry B, Physics, (2014) 16, 3874-80. and Optical Properties of Mg and Cd Doped G. Hogarth, Bioinspired Hydrogenase Degenerate perovskite transparent (2014) 118, 590-596. ZnO Nanoclusters. Journal Of Physical Models: The Mixed-Valence Triiron conducting oxide: Evidence from D. M. Tobaldi, R. C. Pullar, M. P. Seabra, Chemistry C, (2013) 117, 27127-27145.

Complex [Fe3(CO)7(μ-edt)2] and synchrotron x-ray spectroscopy. C. Sotelo-Vazquez, R. Quesada-Cabrera, J. A. Labrincha, R. Binions, A. Belen Jorge,

Phosphine Derivatives [Fe3(CO)7-x (PPh3) Applied Physics Letters, (2013) 103. J. A. Darr, I. P. Parkin, Single-step M. Saeli, Influence of sol counter-ions on P. M. Woods, B. Slater, Z. Raza, S. Viti,

x (μ-edt)2] (x = 1, 2) and [Fe3(CO)5(κ(2)- synthesis of doped TiO2 stratified thin- the visible light induced photocatalytic W. A. Brown, & D. J. Burke, Glycolaldehyde diphosphine)(μ-edt)2] as Proton S. A. Sanchez-Vazquez, H. C. Hailes, & films by atmospheric-pressure chemical behaviour of TiO nanoparticles. Catalysis Formation via The Dimerization Of The Reduction Catalysts. Organometallics, J. R. G. Evans, Hydrophobic Polymers vapour deposition. Journal Of Materials Science and Technology, (2014) 4, 2134 - 2146. Formyl Radical. The Astrophysical Journal, (2014) 33, 1356 - 1366. from Food Waste: Resources and Synthesis. Chemistry A, (2014) 2, 7082-7087. (2013) 777, 90. Polymer Reviews, (2013) 53, 627-694. S. Vallejos, T. Stoycheva, F. E. Annanouch, A. U. Rashid, P. Southern J. A. Darr, S. Awan G. Srinivas, V. Krungleviciute, Z. X. Guo, E. Llobet, P. Umek, E. Figueras, C. Blackman, D. W. Wright, B. A. Hall, O. A. Kenway, S. Jha,

& S. Manzoor, Strontium hexaferrite B. Santra, J. Klimeš, A. Tkatchenko, D. Alfè, T. Yildirim, Exceptional CO2 capture in Microsensors based on Pt-nanoparticle P. V. Coveney, Computing Clinically (SrFe12O19) based composites for B. Slater, A. Michaelides, & M. Scheffler, a hierarchically porous carbon with functionalised tungsten oxide Relevant Binding Free Energies of HIV-1 hyperthermia applications. Journal Of On the accuracy of van der Waals inclusive simultaneous high surface area and pore nanoneedles for monitoring hydrogen Protease Inhibitors. Journal of Chemical Magnetism And Magnetic Materials, (2013) density-functional theory exchange- volume. Energy & Environmental Science, sulfide. Rsc Advances, (2014) 4, 1489-1495. Theory and Computation, (2014) 10, 1228 - 1241. 344, 134-139. correlation functionals for ice at ambient (2014) 7, 335-342. and high pressures. The Journal of chemical F. Vollnhals, T. Woolcot, M. Walz, S. Seiler, H. Wu, Q. Meng, W. Guo, Y. Meng, K. Lu, N. 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