Historical Group NEWSLETTER and SUMMARY of PAPERS
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EXPLORING NEW ASYMMETRIC REACTIONS CATALYSED by DICATIONIC Pd(II) COMPLEXES
EXPLORING NEW ASYMMETRIC REACTIONS CATALYSED BY DICATIONIC Pd(II) COMPLEXES A DISSERTATION FOR THE DEGREE OF DOCTOR OF PHILOSOPHY FROM IMPERIAL COLLEGE LONDON BY ALEXANDER SMITH MAY 2010 DEPARTMENT OF CHEMISTRY IMPERIAL COLLEGE LONDON DECLARATION I confirm that this report is my own work and where reference is made to other research this is referenced in text. ……………………………………………………………………… Copyright Notice Imperial College of Science, Technology and Medicine Department Of Chemistry Exploring new asymmetric reactions catalysed by dicationic Pd(II) complexes © 2010 Alexander Smith [email protected] This publication may be distributed freely in its entirety and in its original form without the consent of the copyright owner. Use of this material in any other published works must be appropriately referenced, and, if necessary, permission sought from the copyright owner. Published by: Alexander Smith Department of Chemistry Imperial College London South Kensington campus, London, SW7 2AZ UK www.imperial.ac.uk ACKNOWLEDGEMENTS I wish to thank my supervisor, Dr Mimi Hii, for her support throughout my PhD, without which this project could not have existed. Mimi’s passion for research and boundless optimism have been crucial, turning failures into learning curves, and ultimately leading this project to success. She has always been able to spare the time to advise me and provide fresh ideas, and I am grateful for this patience, generosity and support. In addition, Mimi’s open-minded and multi-disciplinary approach to chemistry has allowed the project to develop in new and unexpected directions, and has fundamentally changed my attitude to chemistry. I would like to express my gratitude to Dr Denis Billen from Pfizer, who also provided a much needed dose of optimism and enthusiasm in the early stages of the project, and managed to arrange my three month placement at Pfizer despite moving to the US as the department closed. -
Synthesis and Applications of Derivatives of 1,7-Diazaspiro[5.5
Synthesis and Applications of Derivatives of 1,7-Diazaspiro[5.5]undecane. A Thesis Submitted by Joshua J. P. Almond-Thynne In partial fulfilment of the requirements for the degree of Doctor of Philosophy Department of Chemistry Imperial College London South Kensington London, SW7 2AZ October 2017 1 Declaration of Originality I, Joshua Almond-Thynne, certify that the research described in this manuscript was carried out under the supervision of Professor Anthony G. M. Barrett, Imperial College London and Doctor Anastasios Polyzos, CSIRO, Australia. Except where specific reference is made to the contrary, it is original work produced by the author and neither the whole nor any part had been submitted before for a degree in any other institution Joshua Almond-Thynne October 2017 Copyright Declaration The copyright of this thesis rests with the author and is made available under a Creative Commons Attribution Non-Commercial No Derivatives licence. Researchers are free to copy, distribute or transmit the thesis on the condition that they attribute it, that they do not use it for commercial purposes and that they do not alter, transform or build upon it. For any reuse or redistribution, researchers must make clear to others the licence terms of this work. 2 Abstract Spiroaminals are an understudied class of heterocycle. Recently, the Barrett group reported a relatively mild approach to the most simple form of spiroaminal; 1,7-diazaspiro[5.5]undecane (I).i This thesis consists of the development of novel synthetic methodologies towards the spiroaminal moiety. The first part of this thesis focuses on the synthesis of aliphatic derivatives of I through a variety of methods from the classic Barrett approach which utilises lactam II, through to de novo bidirectional approaches which utilise diphosphate V and a key Horner-Wadsworth- Emmons reaction with aldehyde VI. -
CV Majed Chergui 2020
Curriculum Vitae of Majed CHERGUI Born 8.5.1956 in Casablanca (Morocco), Swiss and French citizen Married, three children born 1981, 1988 and 1990 Laboratoire de Spectroscopie Ultrarapide (LSU) and Lausanne Centre for Ultrafast Science (LACUS), Ecole Polytechnique Fédérale de Lausanne (EPFL), Faculty of Basic Sciences, ISIC CH H1 625, Station 6, CH-1015 Lausanne, Switzerland. Phone: ++41-21-693 0457/2555 (office); ++41-76-569 5566 (cell), Fax:++-41-21-693 0365 [email protected]; http://lsu.epfl.ch; http://LACUS.epfl.ch Higher Education 1977 Chelsea College, University of London. BSc. in Physics and Mathematics 1978 Université Paris-Sud, Orsay. MSc in Atomic and Molecular Physics 1981 Université Paris-Sud, Orsay. PhD in Physics. Supervisor : Professor Jacques Bauche 1986 Université Paris-Nord, Villetaneuse. Doctorat d'État (Habilitation) in Physics. Supervisor : Professor Venkataraman Chandrasekharan 1987-1988 Postdoc at the Physics Dept of the Freie Universität Berlin. Supervisor : Professor Nikolaus Schwentner. Professional experience 1980-1982 Assistant lecturer of Physics (Université Paris-Nord) 1982-1990 Research assistant at the National Centre for Scientific Research (C.N.R.S) at Univ. Paris-Nord, then Univ. Paris-sud 1987-1988 Fellow of the Alexander von Humboldt Foundation at the Freie Universität Berlin (Germany). 1990-1993 Senior research Assistant at the Inst. for Experimental Physics of the Freie Universität Berlin 1993-2003 Full Professor of Experimental Condensed Matter Physics at the Université de Lausanne (Switzerland) 1996 Guest Professor, National University of Quilmes-Buenos Aires (Argentina) 1999-2000 Research Associate, American University of Beirut (Lebanon) 2003- Professor of Physics and Chemistry, Ecole Polytechnique Fédérale de Lausanne, Switzerland 2009-2010 Guest A. -
Volume 2: Prizes and Scholarships
Issue 16: Volume 2 – Prizes, Awards & Scholarships (January – March, 2014) RESEARCH OPPORTUNITIES ALERT! Issue 16: Volume 2 PRIZES, AWARDS AND SCHOLARSHIPS (QUARTER: JANUARY - MARCH, 2014) A Compilation by the Research Services Unit Office of Research, Innovation and Development (ORID) December 2013 1 A compilation of the Research Services Unit of the Office of Research, Innovation & Development (ORID) Issue 16: Volume 2 – Prizes, Awards & Scholarships (January – March, 2014) JANUARY 2014 RUCE WASSERMAN YOUNG INVESTIGATOR AWARD American Association of Cereal Chemists Foundation B Description: Deadline information: Call has not yet been The American Association of Cereal Chemists announced by sponsor but this is the Foundation invites nominations for the Bruce approximate deadline we expect. This call is Wasserman young investigator award. This repeated once a year. award recognises young scientists who have Posted date: 12 Nov 10 made outstanding contributions to the field of Award type: Prizes cereal biotechnology. The work can either be Award amount max: $1,000 basic or applied. For the purposes of this Website: award, cereal biotechnology is broadly http://www.aaccnet.org/divisions/divisionsd defined, and encompasses any significant etail.cfm?CODE=BIOTECH body of research using plants, microbes, genes, proteins or other biomolecules. Eligibility profile Contributions in the disciplines of genetics, ---------------------------------------------- molecular biology, biochemistry, Country of applicant institution: Any microbiology and fermentation engineering are all included. Disciplines ---------------------------------------------- Nominees must be no older than 40 by July 1 Grains, Food Sciences, Cereals, Biotechnology, 2010, but nominations of younger scientists Biology, Molecular, Fermentation, are particularly encouraged. AACC Microbiology, Plant Genetics, Plant Sciences, international membership is not required for Biochemistry, Biological Sciences (RAE Unit nomination. -
The Role of Conformational Dynamics in Isocyanide Hydratase Catalysis
University of Nebraska - Lincoln DigitalCommons@University of Nebraska - Lincoln Theses and Dissertations in Biochemistry Biochemistry, Department of Spring 4-15-2020 THE ROLE OF CONFORMATIONAL DYNAMICS IN ISOCYANIDE HYDRATASE CATALYSIS Medhanjali Dasgupta University of Nebraska - Lincoln, [email protected] Follow this and additional works at: https://digitalcommons.unl.edu/biochemdiss Part of the Biochemistry Commons, Biophysics Commons, Microbiology Commons, and the Structural Biology Commons Dasgupta, Medhanjali, "THE ROLE OF CONFORMATIONAL DYNAMICS IN ISOCYANIDE HYDRATASE CATALYSIS" (2020). Theses and Dissertations in Biochemistry. 29. https://digitalcommons.unl.edu/biochemdiss/29 This Article is brought to you for free and open access by the Biochemistry, Department of at DigitalCommons@University of Nebraska - Lincoln. It has been accepted for inclusion in Theses and Dissertations in Biochemistry by an authorized administrator of DigitalCommons@University of Nebraska - Lincoln. THE ROLE OF CONFORMATIONAL DYNAMICS IN ISOCYANIDE HYDRATASE CATALYSIS by Medhanjali Dasgupta A DISSERTATION Presented to the Faculty of The Graduate College at the University of Nebraska In partial Fulfillment of Requirements For the Degree of Doctor of Philosophy Major: Biochemistry Under the Supervision of Professor Mark A. Wilson Lincoln, Nebraska May 2020 THE ROLE OF CONFORMATIONAL DYNAMICS IN ISOCYANIDE HYDRATASE CATALYSIS Medhanjali Dasgupta, Ph.D. University of Nebraska, 2020 Advisor: Dr. Mark. A. Wilson Post-translational modification of cysteine residues can regulate protein function and is essential for catalysis by cysteine-dependent enzymes. Covalent modifications neutralize charge on the reactive cysteine thiolate anion and thus alter the active site electrostatic environment. Although a vast number of enzymes rely on cysteine modification for function, precisely how altered structural and electrostatic states of cysteine affect protein dynamics, which in turn, affects catalysis, remains poorly understood. -
Annual Report 2016
Contents 1 About the ACN 3 Directors’ Report 5 At a Glance 7 Research 8 2016 New Grant Funding 10 2016 New Research Projects 14 High Impact Papers 15 Engagement 16 Media 19 Events 20 Presentation 25 Collaborating Organisations 26 Awards, Prizes and Achievements 28 Governance, Our People & Visitors 29 Steering Committee 30 Organisational Chart 31 ACN Staff and Students 33 Visitors to the ACN 34 Publications 42 Cover Gallery 43 Financial Report About the ACN The ACN was established in mid-2011 as a national innovator in NanoMedicine, bringing together a diverse team of leading researchers in Medicine, Science and Engineering to deliver the next generation of health innovations, and is dedicated to providing new solutions for therapeutics and diagnostics enabled by nanotechnology. The key science that underpins all the activities of the Centre is to fully understand and exploit the unique properties of nanomaterials for various applications (eg. Contrast agents for cell imaging and therapeutics for treating cancer). The Centre’s strategic vision is to create teams focused on particular diseases using Team ACN’s skills in drug delivery, diagnostics and imaging. To succeed in this, it requires an integrated team of researchers coming from diverse backgrounds and we have assembled a remarkable team of highly distinguished scientists and engineers covering nanotechnology, polymer science, cancer biology, chemical engineering, microfluidic, chemistry, sensors and imaging, social science and experimental arts (3D imaging) from five UNSW faculties: Medicine, Science, Engineering, Arts & Social Sciences, and Arts and Design. Dr Friederike Mansfeld, Senior Research Officer at Children's Cancer Institute 1 Dr. Robert Utama setting up a RAFT polymerization reaction with PhD student Kelly Zong. -
Activities of the COST D37 Gridchem Computational Chemistry Workflow Group
Activities of the COST D37 GridChem Computational Chemistry Workflow Group EGEE'07 Conference Budapest 01.10.2007 Thomas Steinke Zuse Institute Berlin (ZIB) <www.zib.de> [email protected] Partners in the CCWF Working Group København • Thomas Steinke, Tim Clark (DE) Cambridge • • Berlin Hans-Peter Lüthi, Martin Brändle (CH) • London Peter Murray-Rust, Henry Rzepa (UK) Antonio Márquez (ES) • Erlangen Kurt Mikkelsen (DK) Zürich • • Manno - CSCS (Manno, CH) - ZIB (Berlin, DE) • Sevilla 2 “Traditional” Workflow in Comppyutational Chemistry WkflWorkflows h ave a l ong t tditiithCCdradition in the CC domai n. start kldb(knowledge base (DB search) automated/manually edited molecular structures molecular simulations method / program A method / program B … properties primary vi suali zati on / qualit y cont rol analysis / archival / DB storage new insights? 3 Databases: Computational protocol (T. Clark, 1998) Complete protocol runs automatically with less than 0.5% failure rate. Cleanup 2D → 3D conversion VAMP optimization Calculate properties ~3,000 compounds per processor day (3 GHz Xeon) Enhanced 3D-Databases: A Fully Electrostatic Database of AM1-Optimized Structures B. Beck, A. Horn, J. E. Carpenter, and T. Clark, J.Chem. Inf. Comput.Sci. 1998, 38, 1214-1217. source: Tim Clark, Uni Erlangen 4 Distributed Computing Environment in the 90 ’s QM packages 5 Distributed Computing Environment in the 90 ’s Example: UniChem distributed environment for quantum-chemical simulations Cray Research Inc. 1991-(2004) 6 CCWF Chemical Illustrator Applications Molecular design of functionalised enzynes Hans-Peter Lüthi, Martin Brändle, Zürich Peter Murray-Rust, Cambridge; Henry Rzepa, London Quantum chemical based QSAR/QSPR Tim Clark, Erlangen; Jon Essex , Southampton High-order dynamic and static electrostatic molecular properties Kurt Mikkelsen, Copenhagen Computational heterogeneous catalysis Antonio M. -
AMBIDENT PROPERTIES of PHOSPHORAMIDAT'es and SULPHONAMIDES a Thesis Submitted by JAMES NICHOLAS ILEY in Partial Fulfillment of T
Fsci AMBIDENT PROPERTIES OF PHOSPHORAMIDAT'ES AND SULPHONAMIDES A Thesis submitted by JAMES NICHOLAS ILEY in partial fulfillment of the requirements for the Degree of Doctor of Philosophy of the University of London DEPARTMENT OF ORGANIC CHEMISTRY IMPERIAL COLLEGE LONDON, SW7 SEPTEMBER 1979 ACKNOWLEDGEMENTS I wish to thank Dr. Brian Challis for his supervision and advice throughout this project and also for his friendship. I also thank Dr. Henry Rzepa for the use of the MNDO molecular orbital programme and teaching me to use it. The award of a Scholarship by the Salters' Company has enabled me to carry out this work and I acknowledge their generous gift. I greatly appreciate the friendship of all my colleagues throughout the past three years. My wife, Ruth, especially deserves mention for her love and support. Finally, my thanks go to Mrs. Sue Carlile, for typing this manuscript. ABSTRACT The nucleophilic chemistry of amides, phosphoramidates and sulphon- amides is reviewed. Particular reference is paid to the site of substi- tution and its variation with reaction conditions. The phosphorimidate-phōsphoramidate rearrangement is examined. The nature of electrophilic catalysis, particularly by alkyl halides is stud- ied and the mechanism of the reaction is discussed. The relevance of this mechanism to the nucleophilic chemistry of phosphoramidates is outlined. The behaviour of phosphoramidates in aqueous H2SO4, oleum and tri- fluoroacetic acid is briefly examined and the site of protonation in these media discussed. The acylation of phosphoramidates by acyl halides and anhydrides is reported and the effect of base and electrophilic catalysis on the reac- tions is examined. -
'Molecule of the Month' Website—An Extraordinary Chemistry Educational Resource Online for Over 20 Years
May, P. , Cotton, S., Harrison, K., & Rzepa, H. (2017). The ‘Molecule of the Month’ Website—An Extraordinary Chemistry Educational Resource Online for over 20 Years. Molecules, 22(4), 549-559. https://doi.org/10.3390/molecules22040549 Publisher's PDF, also known as Version of record License (if available): CC BY Link to published version (if available): 10.3390/molecules22040549 Link to publication record in Explore Bristol Research PDF-document This is the final published version of the article (version of record). It first appeared online via MDPI at http://www.mdpi.com/1420-3049/22/4/549. Please refer to any applicable terms of use of the publisher. University of Bristol - Explore Bristol Research General rights This document is made available in accordance with publisher policies. Please cite only the published version using the reference above. Full terms of use are available: http://www.bristol.ac.uk/red/research-policy/pure/user-guides/ebr-terms/ molecules Article The ‘Molecule of the Month’ Website—An Extraordinary Chemistry Educational Resource Online for over 20 Years Paul W. May 1,*, Simon A. Cotton 2, Karl Harrison 3 and Henry S. Rzepa 4 1 School of Chemistry, University of Bristol, Bristol BS8 1TS, UK 2 School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT, UK; [email protected] 3 Department of Chemistry, University of Oxford, South Parks Road, Oxford OX1 3QZ, UK; [email protected] 4 Department of Chemistry, Imperial College, South Kensington Campus, London SW7 2AZ, UK; [email protected] * Correspondence: [email protected]; Tel.: +44-0117-928-9927 Academic Editor: Derek J. -
NSF FAIR Chemical Data Publishing Guidelines Workshop on Chemical Structures and Spectra: Major Outcomes and Outlooks for the Chemistry Community
NSF FAIR Chemical Data Publishing Guidelines Workshop on Chemical Structures and Spectra: Major Outcomes and Outlooks for the Chemistry Community Vincent F. Scalfani – University of Alabama Leah R. McEwen – Cornell University Deposited 04/24/2020 Scalfani, V.F., McEwen, L.R. (2020): NSF FAIR Chemical Data Publishing Guidelines Workshop on Chemical Structures and Spectra: Major Outcomes and Outlooks for the Chemistry Community. Unpublished manuscript. This is the authors' pre-print version that has not yet been submitted for publication. This work is licensed under a Creative Commons Attribution 4.0 International License. NSF FAIR Chemical Data Publishing Guidelines Workshop on Chemical Structures and Spectra: Major Outcomes and Outlooks for the Chemistry Community Vincent F. Scalfani✝* and Leah R. McEwen✝✝* ✝The University of Alabama, Tuscaloosa, AL, USA ✝✝Cornell University, Ithaca, NY, USA *Correspondence to: [email protected] and [email protected] March 24, 2020 ____________________________________________________________________________ Abstract The National Science Foundation Office of Advanced Cyberinfrastructure (NSF-OAC) funded a workshop in March 2019 focused on advancing the sharing of machine-readable chemical structures and spectra. Around 40 stakeholders from the chemistry, chemical information, and software communities took part in the two-day workshop entitled “FAIR Chemical Data Publishing Guidelines for Chemical Structures and Spectra.” Major topics discussed included publishing data workflows and guidelines, FAIR criteria/metadata -
GUIDELINES for the USE of the INTERNET by IUPAC BODIES (Technical Report)
Pure Appl. Chem., Vol. 71, No. 8, pp. 1587±1591, 1999. Printed in Great Britain. q 1999 IUPAC INTERNATIONAL UNION OF PURE AND APPLIED CHEMISTRY COMMITTEE ON PRINTED AND ELECTRONIC PUBLICATIONS WORKING PARTY ON THE INTERNET AND IUPAC PUBLICATIONS* GUIDELINES FOR THE USE OF THE INTERNET BY IUPAC BODIES (Technical Report) Prepared for publication by: ANTONY N. DAVIES1, STEPHEN R. HELLER2 and JOHN W. JOST3 1ISAS, Institut fuÈr Spektrochemie, Postfach 10 13 52, 44013 Dortmund, Germany <[email protected]> 2Guest Researcher NIST/SRD, Mail Stop: 820/113, 100 Bureau Drive, 820 Diamond Avenue, Room 101, Gaithersburg, MD 20899-2310 USA <[email protected]> 3IUPAC Secretariat, PO Box 13757, Research Triangle Park, NC 27709-3757, USA <[email protected]> *Membership of the Working Party during the preparation of these guidelines (1997±99) was as follows: J.W. Jost (USA), A.N. Davies (Germany), S.R. Heller (USA), H.V. Kehiaian (France), A.D. McNaught (UK). Republication or reproduction of this report or its storage and/or dissemination by electronic means is permitted without the need for formal IUPAC permission on condition that an acknowledgement, with full reference to the source along with use of the copyright symbol q, the name IUPAC and the year of publication are prominently visible. Publication of a translation into another language is subject to the additional condition of prior approval from the relevant IUPAC National Adhering Organization. 1587 1588 COMMITTEE ON PRINTED AND ELECTRONIC PUBLICATIONS Guidelines for the use of the Internet by IUPAC bodies (Technical Report) Abstract: The rapid development of the Internet as a major communication tool between scientists has led to the need for a co-ordinated IUPAC presence. -
Historical Group
Historical Group NEWSLETTER and SUMMARY OF PAPERS No. 78 Summer 2020 Registered Charity No. 207890 COMMITTEE Chairman: Dr Peter J T Morris ! Dr Christopher J Cooksey (Watford, 5 Helford Way, Upminster, Essex RM14 1RJ ! Hertfordshire) [e-mail: [email protected]] !Prof Alan T Dronsfield (Swanwick) Secretary: Prof. John W Nicholson ! Dr John A Hudson (Cockermouth) 52 Buckingham Road, Hampton, Middlesex, !Prof Frank James (University College) TW12 3JG [e-mail: [email protected]] !Dr Michael Jewess (Harwell, Oxon) Membership Prof Bill P Griffith ! Dr Fred Parrett (Bromley, London) Secretary: Department of Chemistry, Imperial College, ! Prof Henry Rzepa (Imperial College) London, SW7 2AZ [e-mail: [email protected]] Treasurer: Prof Richard Buscall, Exeter, Devon [e-mail: [email protected]] Newsletter Dr Anna Simmons Editor Epsom Lodge, La Grande Route de St Jean, St John, Jersey, JE3 4FL [e-mail: [email protected]] Newsletter Dr Gerry P Moss Production: School of Biological and Chemical Sciences, Queen Mary University of London, Mile End Road, London E1 4NS [e-mail: [email protected]] https://www.qmul.ac.uk/sbcs/rschg/ http://www.rsc.org/historical/ 1 RSC Historical Group Newsletter No. 78 Summer 2020 Contents From the Editor (Anna Simmons) 2 ROYAL SOCIETY OF CHEMISTRY HISTORICAL GROUP NEWS 3 Letter from the Chair (Peter Morris) 3 New “Lockdown” Webinar Series (Peter Morris) 3 RSC 2020 Award for Exceptional Service 3 OBITUARIES 4 Noel G. Coley (1927-2020) (Peter Morris, Jack Betteridge, John Hudson, Anna Simons) 4 Kenneth Schofield (1921-2019), FRSC (W. H. Brock) 5 MEMBERS’ PUBLICATIONS 5 Special Issue of Ambix August 2020 5 PUBLICATIONS OF INTEREST 7 SOCIETY NEWS 8 OTHER NEWS 9 Giessen Celebrates (?) the Centenary of the Liebig Museum (W.