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Vibrationally Excited Hydrogen Halides : a Bibliography On
VI NBS SPECIAL PUBLICATION 392 J U.S. DEPARTMENT OF COMMERCE / National Bureau of Standards National Bureau of Standards Bldg. Library, _ E-01 Admin. OCT 1 1981 191023 / oO Vibrationally Excited Hydrogen Halides: A Bibliography on Chemical Kinetics of Chemiexcitation and Energy Transfer Processes (1958 through 1973) QC 100 • 1X57 no. 2te c l !14 c '- — | NATIONAL BUREAU OF STANDARDS The National Bureau of Standards' was established by an act of Congress March 3, 1901. The Bureau's overall goal is to strengthen and advance the Nation's science and technology and facilitate their effective application for public benefit. To this end, the Bureau conducts research and provides: (1) a basis for the Nation's physical measurement system, (2) scientific and technological services for industry and government, (3) a technical basis for equity in trade, and (4) technical services to promote public safety. The Bureau consists of the Institute for Basic Standards, the Institute for Materials Research, the Institute for Applied Technology, the Institute for Computer Sciences and Technology, and the Office for Information Programs. THE INSTITUTE FOR BASIC STANDARDS provides the central basis within the United States of a complete and consistent system of physical measurement; coordinates that system with measurement systems of other nations; and furnishes essential services leading to accurate and uniform physical measurements throughout the Nation's scientific community, industry, and commerce. The Institute consists of a Center for Radiation Research, an Office of Meas- urement Services and the following divisions: Applied Mathematics — Electricity — Mechanics — Heat — Optical Physics — Nuclear Sciences" — Applied Radiation 2 — Quantum Electronics 1 — Electromagnetics 3 — Time 3 1 1 and Frequency — Laboratory Astrophysics — Cryogenics . -
Santiago Schnell, Dphil (Oxon), FRSC Education Postdoctoral Training
CURRICULUM VITAE 1st July 2021 Santiago Schnell, DPhil (Oxon), FRSC John A. Jacquez Collegiate Professor of Physiology Professor, Molecular and Integrative Physiology Professor, Computational Medicine and Bioinformatics William K. Brehm Investigator, Brehm Center for Diabetes Research Chair, Department of Molecular & Integrative Physiology The University of Michigan Medical School Enquires: +1-734-763-5727 Department of Molecular & Integrative Physiology Assistant: +1-734-764-4376 7744C Medical Science II Direct: +1-734-615-8733 1137 E. Catherine St. Fax: +1-734-936-8813 Ann Arbor, MI 48109-5622 E-mail: [email protected] USA Web: www.med.umich.edu/schnell-lab/ Effectively, 1st September 2021 William K. Warren Foundation Dean of the College of Science The University of Notre Dame Education 10/1991-12/1996 License in Biology, Universidad Simón Bolívar, Venezuela (Awarded: 24 Jan 1997). Dissertation: Descripción Teórica de la Reacción en Cadena de la Polimerasa. Advisor: Prof. Claudio Mendoza 10/1998-07/2002 Doctor of Philosophy (Mathematics), University of Oxford, UK (Awarded: 8 Nov 2003). Dissertation: On the Quasi-Steady-State Approximation: Enzyme- substrate reactions as a case study. Advisor: Prof. Philip K. Maini, FRS Postdoctoral Training 10/2001-07/2004 Junior Research Fellow, Christ Church, University of Oxford, UK. Mentor: Prof. Philip K. Maini, FRS 12/2002-07/2004 Ordinary Research Fellow of the Wellcome Trust, Centre for Mathematical Biology, Mathematical Institute, University of Oxford, UK, Mentors: Prof. Philip K. Maini, FRS -
MARC A. ILIES, Ph. D
Curriculum Vitae MARC A. ILIES, Ph. D. ____________________________________________________________________________________________________________________ Office Address: Temple University School of Pharmacy Department of Pharmaceutical Sciences 3307 North Broad Street, Suite 517 Philadelphia, PA-19140 Phone: 215-707-1749 ; Fax: 215-707-5620 Email: [email protected] PRESENT POSITION: Associate Professor Director of the NMR facilities of TU School of Pharmacy Member of the Moulder Center for Drug Discovery Research Member of the Temple Materials Institute Associate Member of the Center for Targeted Therapeutics and Translational Nanomedicine of the University of Pennsylvania EDUCATION NRSA/NIH Postdoctoral fellow, University of Pennsylvania Health System, Department of Pharmacology (2006-2007); Mentors: Professors Vladimir Muzykantov and Ian Blair Postdoctoral fellow, University of Pennsylvania, Department of Chemistry (2004- 2006); Mentor: Professor Virgil Percec Welch postdoctoral fellow, Texas A&M University, Galveston, TX, and Visiting scientist, University of Texas Medical Branch at Galveston, TX; (2001-2004); Mentors: Professors Alexandru T. Balaban, William A. Seitz, and E. Brad Thompson Ph. D., Chemistry, University “Politehnica” Bucharest, Romania, 2001 Thesis title: “Novel pyrylium and pyridinium salts with biological activity” Adviser: Professor Alexandru T. Balaban F. Rom. Acad. Sci. (presently Professor at Texas A&M University at Galveston, Galveston, TX) M. S., Chemistry, University of Bucharest, Bucharest, Romania, 1996 -
Shyne Publications for Calendar Year 2019
SHyNE Publications for Calendar Year 2019 Internal User Papers (367) 1. Akpinar, I.; Drout, R. J.; Islamoglu, T.; Kato, S.; Lyu, J.; Farha, O. K., Exploiting π–π interactions to design an efficient sorbent for atrazine removal from water. ACS applied materials & interfaces 2019, 11 (6), 6097-6103. 2. Al Malki, M. M.; Qiu, Q.; Zhu, T.; Snyder, G. J.; Dunand, D. C., Creep behavior and postcreep thermoelectric performance of the n-type half-Heusler alloy Hf0.3Zr0.7NiSn0.98Sb0.02. Materials Today Physics 2019, 9. 3. Aldrich, T. J.; Matta, M.; Zhu, W. G.; Swick, S. M.; Stern, C. L.; Schatz, G. C.; Facchetti, A.; Melkonyan, F. S.; Marks, T. J., Fluorination Effects on Indacenodithienothiophene Acceptor Packing and Electronic Structure, End-Group Redistribution, and Solar Cell Photovoltaic Response. Journal of the American Chemical Society 2019, 141 (7), 3274-3287. 4. Aldrich, T. J.; Zhu, W. G.; Mulcherjee, S.; Richter, L. J.; Gann, E.; DeLongchamp, D. M.; Facchetti, A.; Melkonyan, F. S.; Marks, T. J., Stable Postfullerene Solar Cells via Direct C-H Arylation Polymerization. Morphology-Performance Relationships. Chemistry of Materials 2019, 31 (11), 4313-4321. 5. Allen, S. D.; Liu, Y. G.; Kim, T.; Bobbala, S.; Yi, S. J.; Zhang, X. H.; Choi, J.; Scott, E. A., Celastrol-loaded PEG- b-PPS nanocarriers as an anti-inflammatory treatment for atherosclerosis. Biomaterials Science 2019, 7 (2), 657-668. 6. Alzate-Sánchez, D. M.; Ling, Y.; Li, C.; Frank, B. P.; Bleher, R.; Fairbrother, D. H.; Helbling, D. E.; Dichtel, W. R., β-Cyclodextrin Polymers on Microcrystalline Cellulose as a Granular Media for Organic Micropollutant Removal from Water. -
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. -
Machine Learning for Condensed Matter Physics
Review Article Machine Learning for Condensed Matter Physics Edwin A. Bedolla-Montiel1, Luis Carlos Padierna1 and Ram´on Casta~neda-Priego1 1 Divisi´onde Ciencias e Ingenier´ıas,Universidad de Guanajuato, Loma del Bosque 103, 37150 Le´on,Mexico E-mail: [email protected] Abstract. Condensed Matter Physics (CMP) seeks to understand the microscopic interactions of matter at the quantum and atomistic levels, and describes how these interactions result in both mesoscopic and macroscopic properties. CMP overlaps with many other important branches of science, such as Chemistry, Materials Science, Statistical Physics, and High-Performance Computing. With the advancements in modern Machine Learning (ML) technology, a keen interest in applying these algorithms to further CMP research has created a compelling new area of research at the intersection of both fields. In this review, we aim to explore the main areas within CMP, which have successfully applied ML techniques to further research, such as the description and use of ML schemes for potential energy surfaces, the characterization of topological phases of matter in lattice systems, the prediction of phase transitions in off-lattice and atomistic simulations, the interpretation of ML theories with physics- inspired frameworks and the enhancement of simulation methods with ML algorithms. We also discuss in detial the main challenges and drawbacks of using ML methods on CMP problems, as well as some perspectives for future developments. Keywords: machine learning, condensed matter physics Submitted -
Lab on a Chip
Lab on a Chip View Article Online CRITICAL REVIEW View Journal | View Issue Entrepreneurship†‡ Ali K. Yetisen,*a Lisa R. Volpatti,b Ahmet F. Coskun,c Sangyeon Cho,ad Cite this: Lab Chip,2015,15,3638 Ehsan Kamrani,a Haider Butt,e Ali Khademhosseinidfgh and Seok Hyun Yun*ad High-tech businesses are the driving force behind global knowledge-based economies. Academic institu- tions have positioned themselves to serve the high-tech industry through consulting, licensing, and univer- sity spinoffs. The awareness of commercialization strategies and building an entrepreneurial culture can help academics to efficiently transfer their inventions to the market to achieve the maximum value. Here, the concept of high-tech entrepreneurship is discussed from lab to market in technology-intensive sectors such as nanotechnology, photonics, and biotechnology, specifically in the context of lab-on-a-chip Received 26th May 2015, devices. This article provides strategies for choosing a commercialization approach, financing a startup, Accepted 22nd July 2015 marketing a product, and planning an exit. Common reasons for startup company failures are discussed and guidelines to overcome these challenges are suggested. The discussion is supplemented with case DOI: 10.1039/c5lc00577a studies of successful and failed companies. Identifying a market need, assembling a motivated manage- www.rsc.org/loc ment team, managing resources, and obtaining experienced mentors lead to a successful exit. 1. The university entrepreneur channels for global integration and technology transfer through multinational corporations. Knowledge spillovers The era of global entrepreneurship offers worldwide trade, from academic institutions to private industry are major driv- – international capital and investment, intercontinental supply ing force behind economic growth and increase in welfare.1 3 chains, migration of talent, and expansion of knowledge- Increasing investment in research is an incentive for universi- based economies. -
The Royal Society of Chemistry Turns Its Focus on Researchers with Better Search and Measurement Tools
The Royal Society of Chemistry turns its focus on researchers with better search and measurement tools The Royal Society of Chemistry offers a publishing platform providing access to over a million chemical science articles, book chapters and abstracts. Like many publishers of high quality peer-reviewed content, they are under pressure from their community to innovate quickly and harness digital technology in new ways that add value, simplicity and easier access to the research workflow. About Will Russell is responsible for some of the new technical developments • pubs.rsc.org at the Royal Society of Chemistry. “Although we do a lot of in-house • rsc.org development, we need to understand where developments can be • Location: Cambridge UK with improved by working with partners,” he says. “I really believe in the additional editorial teams in Beijing, benefit of strategic technology partnerships with an external partner. China, Bangalore India and There is the speed of getting a key utility to the market and this offers Washington D.C. USA us a tremendous business advantage.” • Scientific publisher of high-impact journals and books “We have journals going back to 1841,” he says. “We started migrating People print content online in the late 1990s. Our biggest challenge now is how • Will Russell we will deliver content in the future in the most useful way for the Business Relationship Manager researcher.” Goals Will pinpoints a way forward. “There are new opportunities presented • Embrace new technology to remain by open science and alternative metrics, and increasing importance competitive against innovative attached to data and open data,” he says. -
Semantic Web Integration of Cheminformatics Resources with the SADI Framework Leonid L Chepelev1* and Michel Dumontier1,2,3
Chepelev and Dumontier Journal of Cheminformatics 2011, 3:16 http://www.jcheminf.com/content/3/1/16 METHODOLOGY Open Access Semantic Web integration of Cheminformatics resources with the SADI framework Leonid L Chepelev1* and Michel Dumontier1,2,3 Abstract Background: The diversity and the largely independent nature of chemical research efforts over the past half century are, most likely, the major contributors to the current poor state of chemical computational resource and database interoperability. While open software for chemical format interconversion and database entry cross-linking have partially addressed database interoperability, computational resource integration is hindered by the great diversity of software interfaces, languages, access methods, and platforms, among others. This has, in turn, translated into limited reproducibility of computational experiments and the need for application-specific computational workflow construction and semi-automated enactment by human experts, especially where emerging interdisciplinary fields, such as systems chemistry, are pursued. Fortunately, the advent of the Semantic Web, and the very recent introduction of RESTful Semantic Web Services (SWS) may present an opportunity to integrate all of the existing computational and database resources in chemistry into a machine-understandable, unified system that draws on the entirety of the Semantic Web. Results: We have created a prototype framework of Semantic Automated Discovery and Integration (SADI) framework SWS that exposes the QSAR descriptor functionality of the Chemistry Development Kit. Since each of these services has formal ontology-defined input and output classes, and each service consumes and produces RDF graphs, clients can automatically reason about the services and available reference information necessary to complete a given overall computational task specified through a simple SPARQL query. -
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: -
Researchers Publish Review Article on the Physics of Interacting Particles 29 December 2020
Researchers publish review article on the physics of interacting particles 29 December 2020 wide range of branches of physics—from biophysics to quantum mechanics. The article is a so-called review article and was written by physicists Michael te Vrugt and Prof. Raphael Wittkowski from the Institute of Theoretical Physics and the Center for Soft Nanoscience at the University of Münster, together with Prof. Hartmut Löwen from the Institute for Theoretical Physics II at the University of Düsseldorf. The aim of such review articles is to provide an introduction to a certain subject area and to summarize and evaluate the current state of research in this area for the benefit of other researchers. "In our case we deal with a theory used in very many areas—the so- called dynamical density functional theory (DDFT)," explains last author Raphael Wittkowski. "Since we deal with all aspects of the subject, the article turned out to be very long and wide-ranging." DDFT is a method for describing systems consisting of a large number of interacting particles such as are found in liquids, for example. Understanding these systems is important in numerous fields of research such as chemistry, solid state physics or biophysics. This in turn leads to a large variety of applications for DDFT, for example in materials science and biology. "DDFT and related methods have been developed and applied by a number of researchers in a variety of contexts," says lead author Michael te Vrugt. "We investigated which approaches there are and how Time axis showing the number of publications relating to they are connected—and for this purpose we dynamical density functional theory. -
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.