Annual Review 2010
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Crystallography News British Crystallographic Association
Crystallography News British Crystallographic Association Issue No. 100 March 2007 ISSN 1467-2790 BCA Spring Meeting 2007 - Canterbury p8-17 Patrick Tollin (1938 - 2006) p7 The Z’ > 1 Phenomenon p18-19 History p21-23 Meetings of Interest p32 March 2007 Crystallography News Contents 2 . From the President 3 . Council Members 4 . BCA Letters to the Editor 5 Administrative Office, . Elaine Fulton, From the Editor 6 Northern Networking Events Ltd. 7 1 Tennant Avenue, Puzzle Corner College Milton South, . East Kilbride, Glasgow G74 5NA Scotland, UK Patrick Tollin (1938 - 2006) 8-17 Tel: + 44 1355 244966 Fax: + 44 1355 249959 . e-mail: [email protected] BCA 2007 Spring Meeting 16-17 . CRYSTALLOGRAPHY NEWS is published quarterly (March, June, BCA 2007 Meeting Timetable 18-19 September and December) by the British Crystallographic Association, . and printed by William Anderson and Sons Ltd, Glasgow. Text should The Z’ > 1 Phenomenon 20 preferably be sent electronically as MSword documents (any version - . .doc, .rtf or .txt files) or else on a PC disk. Diagrams and figures are most IUCr Computing Commission 21-23 welcome, but please send them separately from text as .jpg, .gif, .tif, or .bmp files. Items may include technical articles, news about people (e.g. History . 24-27 awards, honours, retirements etc.), reports on past meetings of interest to crystallographers, notices of future meetings, historical reminiscences, Groups .......................................................... 28-31 letters to the editor, book, hardware or software reviews. Please ensure that items for inclusion in the June 2007 issue are sent to the Editor to arrive Meetings . 32 before 25th April 2007. -
Citing Data Using ACS Style
Sciences and Technology Library Citing Data using ACS Style ACS Style Guidelines for Citing Data The examples below are suggested formats for citing data such as physical property data or spectra obtained from various types of resources. The ACS Style Guide provides a few examples for citing data but does not include examples of the wide variety of online sources that are available. The purpose of the citation is to provide sufficient detail so that someone else can locate the data. Page numbers may not exist when citing online sources of data and therefore it may be necessary to indicate information like the CAS Registry Number or the entry name so that someone else can locate the exact information that was cited. For more information consult the ACS Style Guide: Effective Communication of Scientific Communication, 3rd edition (Sciences and Technology Library Reference QD 8.5 A25 2006). Citation Examples for Citing Data Web Sites Web sites can be government sites, organization sites, course web sites or personal home pages. Some websites are considered databases and should be cited as a database. See the information on databases listed below. Databases include a reference number or other identifying information along with one or more search options. General Features of Web Sites: accessible on the Internet no page numbers information cited is located at the URL provided – no additional searching is required Where to Find Citation Information: Look at the About Us links, Contact Us links, Copyright link, copyright information at the bottom of the search screen, links with the word Citation or Cite. -
Financial Statements and Trustees' Report 2017
Royal Society of Chemistry Financial Statements and Trustees’ Report 2017 About us Contents We are the professional body for chemists in the Welcome from our president 1 UK with a global community of more than 50,000 Our strategy: shaping the future of the chemical sciences 2 members in 125 countries, and an internationally Chemistry changes the world 2 renowned publisher of high quality chemical Chemistry is changing 2 science knowledge. We can enable that change 3 As a not-for-profit organisation, we invest our We have a plan to enable that change 3 surplus income to achieve our charitable objectives Champion the chemistry profession 3 in support of the chemical science community Disseminate chemical knowledge 3 and advancing chemistry. We are the largest non- Use our voice for chemistry 3 governmental investor in chemistry education in We will change how we work 3 the UK. Delivering our core roles: successes in 2017 4 We connect our community by holding scientific Champion for the chemistry profession 4 conferences, symposia, workshops and webinars. Set and maintain professional standards 5 We partner globally for the benefit of the chemical Support and bring together practising chemists 6 sciences. We support people teaching and practising Improve and enrich the teaching and learning of chemistry 6 chemistry in schools, colleges, universities and industry. And we are an influential voice for the Provider of high quality chemical science knowledge 8 chemical sciences. Maintain high publishing standards 8 Promote and enable the exchange of ideas 9 Our global community spans hundreds of thousands Facilitate collaboration across disciplines, sectors and borders 9 of scientists, librarians, teachers, students, pupils and Influential voice for the chemical sciences 10 people who love chemistry. -
UC Berkeley UC Berkeley Electronic Theses and Dissertations
UC Berkeley UC Berkeley Electronic Theses and Dissertations Title Supercharging methods for improving analysis and detection of proteins by electrospray ionization mass spectrometry Permalink https://escholarship.org/uc/item/93j8p71p Author Going, Catherine Cassou Publication Date 2015 Peer reviewed|Thesis/dissertation eScholarship.org Powered by the California Digital Library University of California Supercharging methods for improving analysis and detection of proteins by electrospray ionization mass spectrometry by Catherine Cassou Going A dissertation submitted in partial satisfaction of the requirements for the degree of Doctor of Philosophy in Chemistry in the Graduate Division of the University of California, Berkeley Committee in charge: Professor Evan R. Williams, chair Professor Kristie A. Boering Professor Robert Glaeser Fall 2015 Supercharging methods for improving analysis and detection of proteins by electrospray ionization mass spectrometry Copyright 2015 by Catherine Cassou Going Abstract Supercharging methods for improving analysis and detection of proteins by electrospray ionization mass spectrometry by Catherine Cassou Going Doctor of Philosophy in Chemistry University of California, Berkeley Professor Evan R. Williams, Chair The characterization of mechanisms, analytical benefits, and applications of two different methods for producing high charge state protein ions in electrospray ionization (ESI) mass spectrometry (MS), or "supercharging", are presented in this dissertation. High charge state protein ions are desirable in tandem MS due to their higher fragmentation efficiency and thus greater amount of sequence information that can be obtained from them. The first supercharging method, supercharging with reagents (typically non-volatile organic molecules), is shown in this work to be able to produce such highly charged protein ions from denaturing solutions that about one in every three residues carries a charge. -
Winter for the Membership of the American Crystallographic Association, P.O
AMERICAN CRYSTALLOGRAPHIC ASSOCIATION NEWSLETTER Number 4 Winter 2004 ACA 2005 Transactions Symposium New Horizons in Structure Based Drug Discovery Table of Contents / President's Column Winter 2004 Table of Contents President's Column Presidentʼs Column ........................................................... 1-2 The fall ACA Council Guest Editoral: .................................................................2-3 meeting took place in early 2004 ACA Election Results ................................................ 4 November. At this time, News from Canada / Position Available .............................. 6 Council made a few deci- sions, based upon input ACA Committee Report / Web Watch ................................ 8 from the membership. First ACA 2004 Chicago .............................................9-29, 38-40 and foremost, many will Workshop Reports ...................................................... 9-12 be pleased to know that a Travel Award Winners / Commercial Exhibitors ...... 14-23 satisfactory venue for the McPherson Fankuchen Address ................................38-40 2006 summer meeting was News of Crystallographers ...........................................30-37 found. The meeting will be Awards: Janssen/Aminoff/Perutz ..............................30-33 held at the Sheraton Waikiki Obituaries: Blow/Alexander/McMurdie .................... 33-37 Hotel in Honolulu, July 22-27, 2005. Council is ACA Summer Schools / 2005 Etter Award ..................42-44 particularly appreciative of Database Update: -
Chemspider – Is This the Future of Linked Chemistry on the Internet?
ChemSpider – Is This The Future of Linked Chemistry on the Internet? Antony Williams BAGIM, Boston, August 2010 Our dog has fleas It’s not an Advantage… What is the structure of “Advantage”? . Audience Participation Time…. Where would you look? . What would you trust? . Where would you look ONLINE? What is the Structure of Vitamin K? MeSH . A lipid cofactor that is required for normal blood clotting. Several forms of vitamin K have been identified: VITAMIN K 1 (phytomenadione) derived from plants, VITAMIN K 2 (menaquinone) from bacteria, and synthetic naphthoquinone provitamins, VITAMIN K 3 (menadione). Vitamin K 3 provitamins, after being alkylated in vivo, exhibit the antifibrinolytic activity of vitamin K. Green leafy vegetables, liver, cheese, butter, and egg yolk are good sources of vitamin K What is the Structure of Vitamin K1? Wikipedia What is the Structure of Vitamin K1? CAS’s Common Chemistry PubChem “2-methyl-3-(3,7,11,15-tetramethylhexadec-2- enyl)naphthalene-1,4-dione” . Variants of systematic names on PubChem . 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethyl . 2-methyl-3-[(E,7S,11R)-3,7,11,15-tetramethyl . 2-methyl-3-[(E,7R,11S)-3,7,11,15-tetramethyl . 2-methyl-3-[(E,7S,11S)-3,7,11,15-tetramethyl . 2-methyl-3-[(E,11S)-3,7,11,15-tetramethyl . 2-methyl-3-[(E)-3,7,11,15-tetramethyl . 2-methyl-3-(3,7,11,15-tetramethyl . 2-methyl-3-[(E)-3,7,11,15-tetramethyl Bioassay Data are Associated… Structures on DailyMed Lack of Stereochemistry Does Stereochemistry Matter? Does one stereocenter matter? . -
Spectroscopic Studies of Singlet Fission and Triplet Excited States in Assemblies of Conjugated Organic Molecules
UNIVERSITY OF CALIFONIA, SAN DIEGO Spectroscopic studies of singlet fission and triplet excited states in assemblies of conjugated organic molecules A dissertation submitted in partial satisfaction of the requirements for the degree Doctor of Philosophy in Chemistry by Chen Wang Committee in Charge: Professor Michael Tauber, Chair Professor Michael Galperin Professor Clifford Kubiak Professor Lu Sham Professor Amitabha Sinha 2014 i ii The dissertation of Chen Wang is approved and it is acceptable in quality and form for publication on microfilm and electronically: Chair University of California, San Diego 2014 iii DEDICATION This dissertation is dedicated to my parents Xunsheng Wang and Jinghua Chen iv TABLE OF CONTENTS Signature Page ............................................................................................................... iii Dedication ...................................................................................................................... iv Table of Contents ............................................................................................................ v List of Figures ............................................................................................................. viii List of Schemes ........................................................................................................... xiii List of Tables................................................................................................................ xvi Acknowledgements ...................................................................................................... -
One Million Structures and Counting the Journey, the Insights, and the Future of the CSD
One Million Structures and Counting The journey, the insights, and the future of the CSD Suzanna Ward The Cambridge Crystallographic Data Centre ECM32 – Wednesday 21st August 2019 2 The Cambridge Structural Database (CSD) 1,013,731 ▪ Every published Structures structure An N-heterocycle published produced by a that year ▪ Inc. ASAP & early view chalcogen-bonding ▪ CSD Communications catalyst. Determined Structures at Shandong published ▪ Patents University in China by previously Yao Wang and his ▪ University repositories team. XOPCAJ - The millionth CSD structure. ▪ Every entry enriched and annotated by experts ▪ Discoverability of data and knowledge ▪ Sustainable for over 54 years 3 Inside the CSD Organic ligands Additional data Organic Metal-Organic • Drugs • 10,860 polymorph families 43% 57% • Agrochemicals • 169,218 melting points • At least one transition metal, Pigments • 840,667 crystal colours lanthanide, actinide or any of Al, • Explosives Ga, In, Tl, Ge, Sn, Pb, Sb, Bi, Po • 700,002 crystal shapes • Protein ligands • 23,622 bioactivity details Polymeric: 11% Polymeric: • 9,740 natural source data Not Polymeric Metal-Organic • > 250,000 oxidation states 89% • Metal Organic Frameworks • Models for new catalysts ligand Links/subsets • Porous frameworks for gas s • Drugbank storage • Druglike • Fundamental chemical bonding • MOFs Single Multi ligands • PDB ligands Component Component • PubChem 56% 44% • ChemSpider • Pesticides 4 1965 The sound of music • Film first released in 1965 • Highest grossing film of 1965 • Set in Austria 5 The 1960s Credits: NASA Credits: Thegreenj 6 The vision • Established in 1965 by Olga Kennard • She and J.D. Bernal had a vision that a collective use of data would lead to new knowledge and generate insights J.D. -
Crystallography News British Crystallographic Association
Crystallography News British Crystallographic Association Issue No. 98 September 2006 ISSN 1467-2790 BCA Spring Meeting 2007 - Canterbury p7-9 News from the Groups p14-19 Ulrich Wolfgang Arndt (1924-2006) p22-23 Books p24-25 Meetings of Interest p27-28 Crystallography News September 2006 Contents From the President . 2 Council Members . 3 BCA From the Editor . 4 Administrative Office, Elaine Fulton, Letters to Ed. 5 Northern Networking Events Ltd. BCA Spring Meeting 2007 - Canterbury . 6-8 1 Tennant Avenue, College Milton South, East Kilbride, Glasgow G74 5NA Motherwell Symposium . 8 Scotland, UK Tel: + 44 1355 244966 Fax: + 44 1355 249959 Slovenian - Croatian Meeting . 8 e-mail: [email protected] CCP14 . 9 CRYSTALLOGRAPHY NEWS is published quarterly (March, June, September and December) by the XRF Meeting . 10-11 British Crystallographic Association. Text should preferably be sent electronically News from the Groups . 14-19 as MSword documents (any version - .doc, .rtf or .txt files) or else on a PC disk. Diagrams and figures are most welcome, Pre-history of the BCA . 20-21 but please send them separately from text as .jpg, .gif, .tif, or .bmp files. Items may include technical articles, news Obituary: Ulrich Wolfgang Arndt . 22-23 about people (e.g. awards, honours, retirements etc.), reports on past meetings of interest to crystallographers, notices of Books . 24-25 future meetings, historical reminiscences, letters to the editor, book, hardware or software reviews. IUCr Teaching Commission . 26 Please ensure that items for inclusion in the December 2006 issue are sent to the Editor to arrive before 25th October 2006. -
The Men Who Shaped Science Melvyn Bragg on Oxford and the Royal Society 01111 297X210 Oxford Today CAP3 Layout 1 22/04/2010 09:57 Page 1
Volume 22 No 3 | TRINITY 2010 Oxford Today The Universi T y M a g a z i n e Helping politics go with a swing David Butler on television elections Food for thought Rick and John Stein on boosting brains The men who shaped science Melvyn Bragg on Oxford and the Royal Society 01111 297x210 Oxford Today CAP3_Layout 1 22/04/2010 09:57 Page 1 TURN AMBITION INTO ACHIEVEMENT ENTREPRENEUR? FINANCE MANAGER? BUSINESS DEVELOPMENT MANAGER? THE OXFORD CAREER ACCELERATION PROGRAMME This innovative general management programme will unlock your leadership potential and position you for the next level of your career. Three short modules allow you to combine study with a demanding career. Apply now for September 2010 www.sbs.oxford.edu/ca CAROLINE WILLIAMS T +44 (0)1865 422583 [email protected] WWW.SBS.OXFORD.EDU THE UNIVERSITY OF OXFORD: EDUCATING LEADERS FOR 800 YEARS Editor: Greg Neale Designer: Richard Boxall Head of Publications and Web Office: Anne Brunner-Ellis Editorial Assistants: Janet Avison, Martin Harrington, Anthea Oxford Today Milnes, Elizabeth Tatham The Universi T y M a g a z i n e Picture Editor: Joanna Kay Editorial Advisory Board: Trinity highlights Alan Bell i Anne Brunner-Ellis D David Clary, 7 16 45 48 President, Magdalen College Paddy Coulter Sue Cunningham, christian sinibal Director of Development jens ressing/Dpa/corbus pt of engineering science Mary Dejevsky, The Independent e D Zoe Flood Katie Gray, Member, e D ita ita greer/ Oxford University Society r Jeremy Harris, presi nt & fellows of st john’s college Director -
Femtosecond X-Ray Diffraction
AMERICAN CRYSTALLOGRAPHIC ASSOCIATION Number 2 Summer 2012 Femtosecond X-Ray Diffraction American Crystallographic Association ACA HOME PAGE: www.amercrystalassn.org Table of Contents 2 President’s Column What’s on the Cover 3 News from Canada - page 40 4 ACA Balance Sheet 5 From the Editor’s Desk IUCr Partners with AIP UniPHY Errata 6 News from Argentina Contributors to this Issue / Bruker Awards 8 Puzzle Corner 9-10 Book Reviews 11-20 ACA History The Early Days of the ACA David Sayre (1924 - 2012) 21 AIP Inside Science 22 ACA Corporate Members 23-31 Candidates for ACA Officers and Committees for 2012 32 ACA Trueblood Award to Tom Terwilliger ACA Fankuchen Award to Richard Dickerson 34-35 Carl Branden Award to Helen Berman AIP Andrew Gemant Award to Lisa Randall Golden Mouse Award to Crystallographic iPhone app Awards Available / Travel and Fellowships 36 Scientific Controversies and Crystallography 37 Big Data Initiative 38 ACA 2012 Student Award Winners 39 ACA 2012 Exhibitors and Sponsors / ACA 2013 - Hawaii - Preview 40 Future Meetings / Index of Advertisers What’s on the Cover ACA RefleXions staff: Please address matters pertaining to ads, membeship, or use of Editor: Connie Rajnak [email protected] the ACA mailing list to: Editor: Judith L. Flippen-Anderson [email protected] Marcia J. Colquhoun, Director of Administrative Services Copy Editor: Jane Griffin [email protected] American Crystallographic Association Book Reviews: Joe Ferrara [email protected] -
A Pitfall in Drug Discovery
SOCIAL ASPECTS OF DRUG DISCOVERY, DEVELOPMENT AND COMMERCIALIZATION ODILIA OSAKWE, MS, PhD Industrial BioDevelopment Laboratory, UHN-MaRS Centre Toronto Medical Discovery Tower and Ryerson University, Toronto, Canada SYED A. A. RIZVI, MSc, MBA, MS, PhD (Pharm), PhD (Chem), MRSC Department of Pharmaceutical Sciences, Nova Southeastern University, Fort Lauderdale, FL, USA Amsterdam • Boston • Heidelberg • London New York • Oxford • Paris • San Diego San Francisco • Singapore • Sydney • Tokyo Academic Press is an imprint of Elsevier Academic Press is an imprint of Elsevier 125 London Wall, London EC2Y 5AS, UK 525 B Street, Suite 1800, San Diego, CA 92101-4495, USA 50 Hampshire Street, 5th Floor, Cambridge, MA 02139, USA The Boulevard, Langford Lane, Kidlington, Oxford OX5 1GB, UK Copyright © 2016 Elsevier Inc. All rights reserved. No part of this publication may be reproduced or transmitted in any form or by any means, electronic or mechanical, including photocopying, recording, or any information storage and retrieval system, without permission in writing from the publisher. Details on how to seek permission, further infor- mation about the Publisher’s permissions policies and our arrangements with organizations such as the Copyright Clearance Center and the Copyright Licensing Agency, can be found at our website: www.elsevier.com/permissions. This book and the individual contributions contained in it are protected under copyright by the Pub- lisher (other than as may be noted herein). Notices Knowledge and best practice in this field are constantly changing. As new research and experience broaden our understanding, changes in research methods, professional practices, or medical treatment may become necessary. Practitioners and researchers must always rely on their own experience and knowledge in evaluating and using any information, methods, compounds, or experiments described herein.