Crystaleye: Automated Aggregation, Semantification and Dissemination

Total Page:16

File Type:pdf, Size:1020Kb

Crystaleye: Automated Aggregation, Semantification and Dissemination Person to contact for this submission: Peter Murray-Rust ([email protected]; phone: 01223 336432; fax: 01223 763076) Journal of Applied Crystallography CIF applications Appendix A. Sources of data International Union of Crystallography (http://journals.iucr.org/) Acta Crystallographica Section A: Foundations of Crystallography (http://journals.iucr.org/a/) Acta Crystallographica Section B: Structural Science (http://journals.iucr.org/b/) Acta Crystallographica Section C: Crystal Structure Communications (http://journals.iucr.org/c/) Acta Crystallographica Section D: Biological Crystallography (http://journals.iucr.org/d/) Acta Crystallographica Section E: Structure Reports (http://journals.iucr.org/e/) Acta Crystallographica Section F: Structural Biology and Crystallization Communications (http://journals.iucr.org/f/) Journal of Applied Crystallography (http://journals.iucr.org/j/) Journal of Synchrotron Radiation (http://journals.iucr.org/s/) The Royal Society of Chemistry (http://pubs.rsc.org) Chemical Communications (http://pubs.rsc.org/en/Journals/JournalIssues/CC) CrystEngComm (http://pubs.rsc.org/en/Journals/JournalIssues/CE) Physical Chemistry and Chemical Physics (http://pubs.rsc.org/en/Journals/JournalIssues/CP) Dalton Transactions (http://pubs.rsc.org/en/Journals/JournalIssues/DT) Green Chemistry (http://pubs.rsc.org/en/Journals/JournalIssues/GC) Journal of Materials Chemistry (http://pubs.rsc.org/en/Journals/JournalIssues/JM) New Journal of Chemistry (http://pubs.rsc.org/en/Journals/JournalIssues/NJ) Organic and Biomolecular Chemistry (http://pubs.rsc.org/en/Journals/JournalIssues/OB) Journal of the Chemical Society, Perkin Transactions 1 (discontinued) (http://pubs.rsc.org/en/Journals/JournalIssues/P1) Journal of the Chemical Society, Perkin Transactions 2 (discontinued) (http://pubs.rsc.org/en/Journals/JournalIssues/P2) 1 Journal of Applied Crystallography CIF applications The American Chemical Society (http://pubs.acs.org/) Analytical Chemistry (http://pubs.acs.org/journal/ancham) Bioconjugate Chemistry (http://pubs.acs.org/journal/bcches) Biochemistry (http://pubs.acs.org/journal/bichaw) Biomacromolecules (http://pubs.acs.org/journal/bomaf6) Chemistry of Materials (http://pubs.acs.org/journal/cmatex) Crystal Growth and Design (http://pubs.acs.org/journal/cgdefu) Inorganic Chemistry (http://pubs.acs.org/journal/inocaj) Journal of Agricultural and Food Chemistry (http://pubs.acs.org/journal/jafcau) Journal of the American Chemical Society (http://pubs.acs.org/journal/jacsat) Journal of Combinatorial Chemistry (http://pubs.acs.org/journal/jcchff) Journal of Chemical Information and Modelling (http://pubs.acs.org/journal/jcisd8) Journal of Medicinal Chemistry (http://pubs.acs.org/journal/jmcmar) *Journal of Natural Products (http://pubs.acs.org/journal/jnprdf) The Journal of Organic Chemistry (http://pubs.acs.org/journal/joceah) Langmuir (http://pubs.acs.org/journal/langd5) Macromolecules (http://pubs.acs.org/journal/mamobx) Molecular Pharmaceutics (http://pubs.acs.org/journal/mpohbp) Organic Letters (http://pubs.acs.org/journal/orlef7) Organic Process Research and Development (http://pubs.acs.org/journal/oprdfk) Organometallics (http://pubs.acs.org/journal/orgnd7) The Chemical Society of Japan (http://www.chemistry.or.jp/index-e.html) Chemistry Letters (http://www.csj.jp/csj-en/journals/chemlett.html) Nature Chemistry (http://www.nature.com/nchem/) The eCrystals repository at the University of Southampton (http://ecrystals.chem.soton.ac.uk/) 2.
Recommended publications
  • Presentations Iucr Enhanced Figure Toolkit
    Integrating Data with Publications: Greater Interactivity and Challenges for Long-Term Preservation of the Scientific Record Brian McMahon International Union of Crystallography 5 Abbey Square Chester CH1 2HU UK [email protected] CODATA Conference 2010 International Union of Crystallography • International Scientific Union • Publishes 8 research journals: • Acta Crystallographica Section A: Foundations of Crystallography • Acta Crystallographica Section B: Structural Science • Acta Crystallographica Section C: Crystal Structure Communications • Acta Crystallographica Section D: Biological Crystallography • Acta Crystallographica Section E: Structure Reports Online • Acta Crystallographica Section F:Structural Biology and Crystallization Communications • Journal of Applied Crystallography • Journal of Synchrotron Radiation • Publishes major reference work International Tables for Crystallography (8 volumes) • Promotes standard crystallographic data file format (CIF) Crystallographic (X-ray diffraction) experiment Types of data relevant to publication Data can mean any or all of: 1. raw measurements from an experiment 2. processed numerical observations 3. derived structural information (1) 4. variable parameters in the experimental set-up or numerical modelling and interpretation 5. bibliographic and linking (2)(3) information We make no fundamental distinction between data and metadata – metadata are data that are of secondary interest to the current focus of attention. (4) (5) Why publish data? Some reasons: • To enhance the reproducibility
    [Show full text]
  • Hygroscopicity of Pharmaceutical Crystals
    HYGROSCOPICITY OF PHARMACEUTICAL CRYSTALS A DISSERTATION SUBMITTED TO THE FACULTY OF GRADUATE SCHOOL OF THE UNIVERSITY OF MINNESOTA BY DABING CHEN IN PARTIAL FULFILLMENT OF THE REQUIREMENTS FOR THE DEGREE OF DOCTOR OF PHILOSOPHY RAJ SURYANARAYANAN (ADVISER) JANUARY, 2009 © Dabing Chen, January / 2009 ACKNOWLEDGEMENTS I am very grateful to my thesis advisor, Prof. Raj Suryanarayanan, for his constant guidance, support, and encouragement throughout my research. Without his help, the completion of this thesis would be impossible. His friendship and advices are precious to my professional and personal growth and will help me overcome many difficulties in my future career. I would like to take the opportunity to thank Prof. David J.W. Grant, who was my advisor during the first three years in graduate school and led me into the research area of physical pharmacy. It was my great honor to have worked for him, and he will always live as a role model in my life. Many thanks to Dr. Zheng Jane Li at Boehringer Ingelheim Pharmaceuticals (BI) for her invaluable advice as an industrial mentor and also for agreeing to serve on my committee. I sincerely appreciate her helpful discussions, revision of the manuscripts, and supervision of my research. I also want to thank her for providing me the internship opportunity at BI. I thank Dr. Timothy S. Wiedmann and Dr. Theodore P. Labuza for serving on my committee and for critically reviewing my thesis. I also want to thank Dr. Timothy S. Wiedmann for allowing me the use of the HPLC instruments in his lab and also for his advice as the Director of Graduate Studies.
    [Show full text]
  • Carbon Dioxide Adsorption by Metal Organic Frameworks (Synthesis, Testing and Modeling)
    Western University Scholarship@Western Electronic Thesis and Dissertation Repository 8-8-2013 12:00 AM Carbon Dioxide Adsorption by Metal Organic Frameworks (Synthesis, Testing and Modeling) Rana Sabouni The University of Western Ontario Supervisor Prof. Sohrab Rohani The University of Western Ontario Graduate Program in Chemical and Biochemical Engineering A thesis submitted in partial fulfillment of the equirr ements for the degree in Doctor of Philosophy © Rana Sabouni 2013 Follow this and additional works at: https://ir.lib.uwo.ca/etd Part of the Other Chemical Engineering Commons Recommended Citation Sabouni, Rana, "Carbon Dioxide Adsorption by Metal Organic Frameworks (Synthesis, Testing and Modeling)" (2013). Electronic Thesis and Dissertation Repository. 1472. https://ir.lib.uwo.ca/etd/1472 This Dissertation/Thesis is brought to you for free and open access by Scholarship@Western. It has been accepted for inclusion in Electronic Thesis and Dissertation Repository by an authorized administrator of Scholarship@Western. For more information, please contact [email protected]. i CARBON DIOXIDE ADSORPTION BY METAL ORGANIC FRAMEWORKS (SYNTHESIS, TESTING AND MODELING) (Thesis format: Integrated Article) by Rana Sabouni Graduate Program in Chemical and Biochemical Engineering A thesis submitted in partial fulfilment of the requirements for the degree of Doctor of Philosophy The School of Graduate and Postdoctoral Studies The University of Western Ontario London, Ontario, Canada Rana Sabouni 2013 ABSTRACT It is essential to capture carbon dioxide from flue gas because it is considered one of the main causes of global warming. Several materials and various methods have been reported for the CO2 capturing including adsorption onto zeolites, porous membranes, and absorption in amine solutions.
    [Show full text]
  • Mysore University Library LIST of JOURNALS
    Mysore University Library LIST OF JOURNALS SUBJECT: CHEMISTRY PRINT JOURNALS SUBSCRIBED Journal Name Current Science Indian Chemical Society Indian Journal of Chemical Technology Indian Journal of Chemistry Section - A Indian Journal of Chemistry Section - B Indian Journal of Heterocyclic Chemistry Journal of Applied Chemistry Journal of Applied Geochemistry Journal of Chemical Science Journal of Chemistry and Chemical Sciences Research Journal of Chemistry and Environment E-JOURNALS: UGC-INFONET & MUL PUBLISHERS/ E-JOURNALS URL AGGREGATOR Accounts of Chemical Research American Chemical Society http://pubs.acs.org/journals/achre4/index.html Acs chemical biology American Chemical Society http://pubs.acs.org/journals/acbcct/index.html Acta biomaterialia ScienceDirect http://www.sciencedirect.com/science/journal/17427061 Acta crystallographicasection a Blackwell - Wiley http://www.onlinelibrary.wiley.com/journal/10.1111/(ISSN)1600-5724 Acta crystallographica section b Blackwell - Wiley http://www.onlinelibrary.wiley.com/journal/10.1111/(ISSN)1600-5740 Acta crystallographica section c Blackwell - Wiley http://www.onlinelibrary.wiley.com/journal/10.1111/(ISSN)1600-5759 Acta crystallographica section d Blackwell - Wiley http://www.onlinelibrary.wiley.com/journal/10.1111/(ISSN)1399-0047 Acta crystallographica section e Blackwell - Wiley http://www.onlinelibrary.wiley.com/journal/10.1111/(ISSN)1600-5368 (electronic) Acta crystallographica section f Blackwell - Wiley http://www.onlinelibrary.wiley.com/journal/10.1111/(ISSN)1744-3091 (electronic)
    [Show full text]
  • Investigating the Inhibition Mechanism of L,D-Transpeptidase 5 from Mycobacterium Tuberculosis Using Computational Methods
    INVESTIGATING THE INHIBITION MECHANISM OF L,D-TRANSPEPTIDASE 5 FROM MYCOBACTERIUM TUBERCULOSIS USING COMPUTATIONAL METHODS BY: GIDEON FEMI TOLUFASHE 216076453 Submitted in fulfilment of the requirements for the degree of Doctor of Philosophy in Pharmaceutical Chemistry School of Health Sciences, College of Health Sciences, University of KwaZulu-Natal, Durban, South Africa. 2018 PREFACE The work described in this thesis was conducted at the Catalysis and Peptide Research Unit, Westville Campus, University of KwaZulu-Natal, Durban, South Africa, under the supervision of Dr Bahareh Honarparvar, Prof. H.G. Kruger and Dr G.E.M. Maguire. This work has not been submitted in any form for any degree or diploma to any institution, where use has been made of the work of others, it is duly acknowledged in the text. Supervisors: Dr B. Honarparvar Date 30/10/2018 Prof. H. G. Kruger________________ Date ___________ Dr. G.E.M Maguire_______________ Date ___________ As candidate’s supervisor I agree to the submission of this thesis. i DECLARATION DECLARATION I- PLAGIARISM I, Gideon Femi Tolufashe declare that (i). The research reports in this thesis, except where otherwise indicated, is my original work. (ii). This thesis has not been submitted for any degree or examination at any other university. (iii). This thesis does not contain other person’s data, pictures, graphs or other information, unless specifically acknowledged as being sourced from other persons. (iv). This thesis does not contain other person’s writing, unless specifically acknowledged as being sourced from other researchers. Where other written sources have been quoted, then: a. Their words have been re-written, but the general information attributed to them has been referenced.
    [Show full text]
  • SCIENCE CITATION INDEX EXPANDED - JOURNAL LIST Total Journals: 8631
    SCIENCE CITATION INDEX EXPANDED - JOURNAL LIST Total journals: 8631 1. 4OR-A QUARTERLY JOURNAL OF OPERATIONS RESEARCH 2. AAPG BULLETIN 3. AAPS JOURNAL 4. AAPS PHARMSCITECH 5. AATCC REVIEW 6. ABDOMINAL IMAGING 7. ABHANDLUNGEN AUS DEM MATHEMATISCHEN SEMINAR DER UNIVERSITAT HAMBURG 8. ABSTRACT AND APPLIED ANALYSIS 9. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 10. ACADEMIC EMERGENCY MEDICINE 11. ACADEMIC MEDICINE 12. ACADEMIC PEDIATRICS 13. ACADEMIC RADIOLOGY 14. ACCOUNTABILITY IN RESEARCH-POLICIES AND QUALITY ASSURANCE 15. ACCOUNTS OF CHEMICAL RESEARCH 16. ACCREDITATION AND QUALITY ASSURANCE 17. ACI MATERIALS JOURNAL 18. ACI STRUCTURAL JOURNAL 19. ACM COMPUTING SURVEYS 20. ACM JOURNAL ON EMERGING TECHNOLOGIES IN COMPUTING SYSTEMS 21. ACM SIGCOMM COMPUTER COMMUNICATION REVIEW 22. ACM SIGPLAN NOTICES 23. ACM TRANSACTIONS ON ALGORITHMS 24. ACM TRANSACTIONS ON APPLIED PERCEPTION 25. ACM TRANSACTIONS ON ARCHITECTURE AND CODE OPTIMIZATION 26. ACM TRANSACTIONS ON AUTONOMOUS AND ADAPTIVE SYSTEMS 27. ACM TRANSACTIONS ON COMPUTATIONAL LOGIC 28. ACM TRANSACTIONS ON COMPUTER SYSTEMS 29. ACM TRANSACTIONS ON COMPUTER-HUMAN INTERACTION 30. ACM TRANSACTIONS ON DATABASE SYSTEMS 31. ACM TRANSACTIONS ON DESIGN AUTOMATION OF ELECTRONIC SYSTEMS 32. ACM TRANSACTIONS ON EMBEDDED COMPUTING SYSTEMS 33. ACM TRANSACTIONS ON GRAPHICS 34. ACM TRANSACTIONS ON INFORMATION AND SYSTEM SECURITY 35. ACM TRANSACTIONS ON INFORMATION SYSTEMS 36. ACM TRANSACTIONS ON INTELLIGENT SYSTEMS AND TECHNOLOGY 37. ACM TRANSACTIONS ON INTERNET TECHNOLOGY 38. ACM TRANSACTIONS ON KNOWLEDGE DISCOVERY FROM DATA 39. ACM TRANSACTIONS ON MATHEMATICAL SOFTWARE 40. ACM TRANSACTIONS ON MODELING AND COMPUTER SIMULATION 41. ACM TRANSACTIONS ON MULTIMEDIA COMPUTING COMMUNICATIONS AND APPLICATIONS 42. ACM TRANSACTIONS ON PROGRAMMING LANGUAGES AND SYSTEMS 43. ACM TRANSACTIONS ON RECONFIGURABLE TECHNOLOGY AND SYSTEMS 44.
    [Show full text]
  • SCHOOL of LIFE SCIENCES Category a Acta Crystallographica
    SCHOOL OF LIFE SCIENCES Category A Acta Crystallographica Section D: Biological Crystallography Acta Neuropathologica Acta Physiologica Acta Psychiatrica Scandinavica Advances in Agronomy Advances in Biochemical Engineering/Biotechnology Advances in Botanical Research Advances in Experimental Medicine and Biology Advances in Virus Research Age and Ageing Ageing Research Reviews Aging Cell Agricultural and Forest Entomology Agricultural Economics Agricultural Systems Agricultural Water Management Agriculture and Human Values Agriculture, Ecosystems and Environment Agroforestry Systems Agronomy for Sustainable Development Agronomy Journal AICHE Journal AIDS Allergy and Asthma Proceedings American Journal of Agricultural Economics American Journal of Botany American Journal of Clinical Nutrition American Journal of Enology and Viticulture American Journal of Human Biology American Journal of Medical Genetics, Part B: Neuropsychiatric Genetics American Journal of Medical Genetics, Part C: Seminars in Medical Genetics American Journal of Physical Anthropology American Journal of Physiology ‐ Cell Physiology American Journal of Physiology ‐ Endocrinology and Metabolism American Journal of Physiology ‐ Gastrointestinal and Liver Physiology American Journal of Physiology ‐ Heart and Circulatory Physiology American Journal of Physiology ‐ Lung Cellular and Molecular Physiology American Journal of Physiology ‐ Regulatory Integrative and Comparative Physiology American Journal of Physiology ‐ Renal Physiology American Journal of Primatology American
    [Show full text]
  • Citation Success Index – an Intuitive Pair- Wise Journal Comparison Metric
    Citation success index – An intuitive pair- wise journal comparison metric Staša Milojević1, Filippo Radicchi1 and Judit Bar-Ilan2 1School of Informatics and Computing, Indiana University, Bloomington, USA 2Department of Information Science, Bar-Ilan University, Ramat Gan, 5290002, Israel In this paper we present “citation success index”, a metric for comparing the citation capacity of pairs of journals. Citation success index is the probability that a random paper in one journal has more citations than a random paper in another journal (50% means the two journals do equally well). Unlike the journal impact factor (IF), the citation success index depends on the broadness and the shape of citation distributions. Also, it is insensitive to sporadic highly-cited papers that skew the IF. Nevertheless, we show, based on 16,000 journals containing ~2.4 million articles, that the citation success index is a relatively tight function of the ratio of IFs of journals being compared, due to the fact that journals with same IF have quite similar citation distributions. The citation success index grows slowly as a function of IF ratio. It is substantial (>90%) only when the ratio of IFs exceeds ~6, whereas a factor of two difference in IF values translates into a modest advantage for the journal with higher IF (index of ~70%). We facilitate the wider adoption of this metric by providing an online calculator that takes as input parameters only the IFs of the pair of journals. 1. Introduction Most authors of research articles, whether in teams or as individuals, ultimately aim to maximize the impact of their publications, even when this goal is expressed as a desire to reach the widest possible audience (Gordon, 1984; Luukkonen, 1992).
    [Show full text]
  • Notes for Authors 2010 Crystallography ISSN 0108-7673
    notes for authors Acta Crystallographica Section A Foundations of Notes for authors 2010 Crystallography ISSN 0108-7673 1. Scientific scope brief conclusion should indicate likely future directions. Inclusion of Section A of Acta Crystallographica publishes papers reporting new results is appropriate. fundamental advances in all areas of crystallography in the broadest Feature Articles will generally be about ten journal pages (10 000 sense. The central themes are, on the one hand, experimental and words). Shorter articles on rapidly evolving areas are also actively theoretical studies of the properties and arrangements of atoms, ions encouraged. They will be commissioned by the Section Editor, either and molecules in condensed matter, ideal or real, and of their personally or following a formal proposal by prospective author(s). symmetry and, on the other, the theoretical and experimental aspects Feature Articles will be refereed in the normal way; they will be made of the various methods to determine these arrangements. In contrast, open access on publication. Section B deals with the structures of individual compounds and families of compounds, and the relationship of structure to chemical 2.5. Letters to the Editor and physical properties, Section C publishes crystal structure deter- These may deal with non-technical aspects of crystallography, its minations, Sections D and F are devoted to molecules of biological role, its propagation, the proper function of its Societies etc., or may interest and Section E is a rapid communication journal for the make a technical observation or scientific comment that would publication of concise reports on crystal structures. A more complete usefully be brought to a wider audience.
    [Show full text]
  • New Journal and Database Subscriptions – 2012 -2013
    NEW JOURNAL AND DATABASE SUBSCRIPTIONS – 2012 -2013 New Journals Afterall: A Journal of Art, Context and Enquiry American Biology Teacher American Journal of Bioethics American Political Thought Annals of Tourism Research Art Documentation Biodiversity and Conservation Biomaterials Science BioScience Boom: A Journal of California California Archaeology California Management Review Catalysis Science & Technology Chemical Hazards in Industry China Journal Classical Antiquity Classical Philology Crime and Justice Critical Review of International Social and Political Philosophy Education in Chemistry Educational Technology Research Development Elephant Ethics Federal Sentencing Reporter Food & Function Frankie Gastronomica: The Journal of Food and Culture Haaretz Historical Studies in the Natural Sciences HOPOS: The Journal of the International Society for the History of Philosophy of Science Huntington Library Quarterly Indian Country Today Indonesia Journal Information, Communication & Society Innovation Policy and the Economy Integrative Biology Issues in Environmental Science and Technology Journal of Applied Remote Sensing Journal of Digital Media Management Journal of Empirical Research on Human Research Ethics Journal of Environmental Studies and Sciences Journal of Human Capital Journal of Labor Economics Journal of Leisure Research Journal of Micro/Nanolithography, MEMS, and MOEMS Journal of Modern History Journal of Nanophotonics Journal of North African Studies Journal of Palestine Studies Journal of Photonics for Energy Journal
    [Show full text]
  • RSC Gold 2015 Flyer.Pdf
    RSC Gold Want access to full content from the world’s leading chemistry society? Including regular new material and an Archive dating back to 1841? Caltech’s RSC Gold Plus voucher codes to publish package subscription has been a very Open Access (OA) free of charge? welcome development ... I am very appreciative of the RSC Gold is the Royal Society of Chemistry’s general excellence of articles in the RSC premium package comprising 41 international research journals, evidenced by strong journals, literature updating services and impact factors and magazines that will meet the needs of all your increases in local download statistics. end-users. And the accompanying Gold for Gold Dana L. Roth OA voucher codes ensure maximum visibility for Chemistry Librarian your institution’s quality research. Caltech, USA Take a look inside to see exactly what you get www.rsc.org/gold RSC Gold includes a wealth of quality RSC journal, database and magazine content that is all available online. Journals Natural Product Reports Analyst New Journal of Chemistry Analytical Methods Organic & Biomolecular Chemistry Biomaterials Science Photochemical & Photobiological Sciences Catalysis Science & Technology Physical Chemistry Chemical Physics (PCCP) Chemical Communications Polymer Chemistry Chemical Science* RSC Advances Chemical Society Reviews Soft Matter CrystEngComm Toxicology Research Dalton Transactions Energy & Environmental Science B a c k fi l e Environmental Science: Nano** RSC Journals Archive 1841-2007 lease Environmental Science: Processes & Impacts
    [Show full text]
  • Acta Crystallographica Section F Structural Biology Acta Crystallographica Section F: Developments in and Crystallization the First Year Communications ISSN 1744-3091
    editorial Acta Crystallographica Section F Structural Biology Acta Crystallographica Section F: developments in and Crystallization the first year Communications ISSN 1744-3091 Howard Einspahra and At the start of 2005, Acta Crystallographica Section F: Structural Biology and Mitchell Gussb Crystallization Communications was launched by the International Union of Crystallography. At that time we looked forward to the development and growth aPO Box 6395, Lawrenceville, NJ 08648-0395, of this purely electronic journal, and to a celebration of its first year of publi- USA, and bSchool of Molecular and Microbial cation. The journal is now more than a year old, and there is indeed much to Biosciences, University of Sydney, NSW 2006, celebrate. Australia We are happy to report that in January we were notified that the journal had been approved for inclusion in Medline. In gaining this listing, we were advised at various points along the way by David Eisenberg, and also received help from Stephen Burley, Hans Deisenhofer and Brian Matthews, who wrote letters of support for our application. We thank David, Stephen, Hans and Brian for their time and help in making the application successful. In the last month, the entire first volume has been sent to the National Library of Medicine so that Acta Cryst. F will be accessible via PubMed from the first issue on and, confirming our own experiences, we have begun to hear from interested authors and others that their attempts at PubMed access have been successful. In addition to indexing by Medline, the journal has been accredited by the Institute for Scientific Information, leading to inclusion of articles in the Science Citation Index.
    [Show full text]