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Magnetism, Magnetic Properties, Magnetochemistry
Magnetism, Magnetic Properties, Magnetochemistry 1 Magnetism All matter is electronic Positive/negative charges - bound by Coulombic forces Result of electric field E between charges, electric dipole Electric and magnetic fields = the electromagnetic interaction (Oersted, Maxwell) Electric field = electric +/ charges, electric dipole Magnetic field ??No source?? No magnetic charges, N-S No magnetic monopole Magnetic field = motion of electric charges (electric current, atomic motions) Magnetic dipole – magnetic moment = i A [A m2] 2 Electromagnetic Fields 3 Magnetism Magnetic field = motion of electric charges • Macro - electric current • Micro - spin + orbital momentum Ampère 1822 Poisson model Magnetic dipole – magnetic (dipole) moment [A m2] i A 4 Ampere model Magnetism Microscopic explanation of source of magnetism = Fundamental quantum magnets Unpaired electrons = spins (Bohr 1913) Atomic building blocks (protons, neutrons and electrons = fermions) possess an intrinsic magnetic moment Relativistic quantum theory (P. Dirac 1928) SPIN (quantum property ~ rotation of charged particles) Spin (½ for all fermions) gives rise to a magnetic moment 5 Atomic Motions of Electric Charges The origins for the magnetic moment of a free atom Motions of Electric Charges: 1) The spins of the electrons S. Unpaired spins give a paramagnetic contribution. Paired spins give a diamagnetic contribution. 2) The orbital angular momentum L of the electrons about the nucleus, degenerate orbitals, paramagnetic contribution. The change in the orbital moment -
Phytochemistry and Pharmacogenomics of Natural Products Derived from Traditional Chinese Medicine and Chinese Materia Medica with Activity Against Tumor Cells
152 Phytochemistry and pharmacogenomics of natural products derived from traditional chinese medicine and chinese materia medica with activity against tumor cells Thomas Efferth,1 Stefan Kahl,2,3,6 Kerstin Paulus,4 Introduction 2 5 3 Michael Adams, Rolf Rauh, Herbert Boechzelt, Cancer is responsible for 12% of the world’s mortality and Xiaojiang Hao,6 Bernd Kaina,5 and Rudolf Bauer2 the second-leading cause of death in the Western world. 1 Limited chances for cure by chemotherapy are a major German Cancer Research Centre, Pharmaceutical Biology, contributing factor to this situation. Despite much progress Heidelberg, Germany; 2Institute of Pharmaceutical Sciences, University of Graz; 3Joanneum Research, Graz, Austria; 4Institute in recent years,a key problem in tumor therapy with of Pharmaceutical Biology, University of Du¨sseldorf, Du¨sseldorf, established cytostatic compounds is the development of Germany; 5Institute of Toxicology, University of Mainz, Mainz, 6 drug resistance and threatening side effects. Most estab- Germany; and State Key Laboratory of Phytochemistry and Plant lished drugs suffer from insufficient specificity toward Resources in West China, Kunming Institute of Botany, Chinese Academy of Sciences, Kunming, China tumor cells. Hence,the identification of improved anti- tumor drugs is urgently needed. Several approaches have been delineated to search for Abstract novel antitumor compounds. Combinatorial chemistry,a The cure from cancer is still not a reality for all patients, technology conceived about 20 years ago,was envisaged as which is mainly due to the limitations of chemotherapy a promising strategy to this demand. The expected surge in (e.g., drug resistance and toxicity). Apart from the high- productivity,however,has hardly materialized (1). -
Virtual Screening for the Discovery of Bioactive Natural Products by Judith M
Progress in Drug Research, Vol. 65 (Frank Petersen and René Amstutz, Eds.) © 2008 Birkhäuser Ver lag, Basel (Swit zer land) Virtual screening for the discovery of bioactive natural products By Judith M. Rollinger1, Hermann Stuppner1,2 and Thierry Langer2,3 1Institute of Pharmacy/Pharmacog- nosy, Leopold-Franzens University of Innsbruck, Innrain 52c, 6020 Innsbruck, Austria 2Inte:Ligand GmbH, Software Engineering and Consulting, Clemens Maria Hofbauergasse 6, 2344 Maria Enzersdorf, Austria 3Institute of Pharmacy/Pharmaceu- tical Chemistry/Computer Aided Molecular Design Group, Leopold- Franzens University of Innsbruck, Innrain 52c, 6020 Innsbruck, Austria <[email protected]> Virtual screening for the discovery of bioactive natural products Abstract In this survey the impact of the virtual screening concept is discussed in the field of drug discovery from nature. Confronted by a steadily increasing number of secondary metabolites and a growing number of molecular targets relevant in the therapy of human disorders, the huge amount of information needs to be handled. Virtual screening filtering experiments already showed great promise for dealing with large libraries of potential bioactive molecules. It can be utilized for browsing databases for molecules fitting either an established pharma- cophore model or a three dimensional (3D) structure of a macromolecular target. However, for the discovery of natural lead candidates the application of this in silico tool has so far almost been neglected. There are several reasons for that. One concerns the scarce availability of natural product (NP) 3D databases in contrast to synthetic libraries; another reason is the problematic compatibility of NPs with modern robotized high throughput screening (HTS) technologies. -
Combinatorial and High-Throughput Screening of Materials Libraries: Review of State of the Art Radislav Potyrailo*
REVIEW pubs.acs.org/acscombsci Combinatorial and High-Throughput Screening of Materials Libraries: Review of State of the Art Radislav Potyrailo* Chemistry and Chemical Engineering, GE Global Research Center, Niskayuna, New York 12309, United States Krishna Rajan Department of Materials Science and Engineering and Institute for Combinatorial Discovery, Iowa State University, Ames, Iowa 50011, United States Klaus Stoewe Universit€at des Saarlandes, Technische Chemie, Campus C4.2, 66123, Saarbruecken, Germany Ichiro Takeuchi Department of Materials Science and Engineering, University of Maryland, College Park, Maryland 20742, United States Bret Chisholm Center for Nanoscale Science and Engineering and Department of Coatings and Polymeric Materials, North Dakota State University, Fargo, North Dakota 58102, United States Hubert Lam Chemistry and Chemical Engineering, GE Global Research Center, Niskayuna, New York 12309, United States ABSTRACT: Rational materials design based on prior knowledge is attractive because it promises to avoid time-consuming synthesis and testing of numerous materials candidates. However with the increase of complexity of materials, the scientific ability for the rational materials design becomes progressively limited. As a result of this complexity, combinatorial and high-throughput (CHT) experimentation in materials science has been recognized as a new scientific approach to generate new knowledge. This review demonstrates the broad applicability of CHT experimentation technologies in discovery and optimiza- tion of new materials. We discuss general principles of CHT materials screening, followed by the detailed discussion of high-throughput materials characteriza- tion approaches, advances in data analysis/mining, and new materials develop- ments facilitated by CHT experimentation. We critically analyze results of materials development in the areas most impacted by the CHT approaches, such as catalysis, electronic and functional materials, polymer-based industrial coatings, sensing materials, and biomaterials. -
Combinatorial Chemistry: a Guide for Librarians
City University of New York (CUNY) CUNY Academic Works Publications and Research City College of New York 2002 Combinatorial Chemistry: A Guide for Librarians Philip Barnett CUNY City College How does access to this work benefit ou?y Let us know! More information about this work at: https://academicworks.cuny.edu/cc_pubs/266 Discover additional works at: https://academicworks.cuny.edu This work is made publicly available by the City University of New York (CUNY). Contact: [email protected] Issues in Science and Technology Librarianship Winter 2002 DOI:10.5062/F4DZ0690 URLs in this document have been updated. Links enclosed in{curly brackets} have been changed. If a replacement link was located, the new URL was added and the link is active; if a new site could not be identified, the broken link was removed. Combinatorial Chemistry: A Guide for Librarians Philip Barnett Associate Professor and Science Reference Librarian Science/Engineering Library City College of New York (CUNY) [email protected] Abstract In the 1980s a need to synthesize many chemical compounds rapidly and inexpensively spawned a new branch of chemistry known as combinatorial chemistry. While the techniques of this rapidly growing field are used primarily to find new candidate drugs, combinatorial chemistry is also finding other applications in various fields such as semiconductors, catalysts, and polymers. This guide for librarians explains the basics of combinatorial chemistry and elucidates the key information sources needed by combinatorial chemists. Introduction Most librarians who serve chemists or chemistry students are familiar with the six main disciplines of chemistry. These are: Physical chemistry applies the fundamental laws of physics, such as thermodynamics, electricity, and quantum mechanics, to explain chemical behavior. -
Faculty of Science Internal Bylaw of Graduate Studies "Program Curricula and Course Contents" 2016
. Faculty of Science Internal Bylaw of Graduate Studies "Program Curricula and Course Contents" 2016 Table of Contents Page 1-Mathematics Department Mathematics Programs 1 Diplomas Professional Diploma in Applied Statistics 2 Professional Diploma in Bioinformatics 3 M.Sc. Degree M.Sc. Degree in Pure Mathematics 4 M.Sc. Degree in Applied Mathematics 5 M.Sc. Degree in Mathematical Statistics 6 M.Sc. Degree in Computer Science 7 M.Sc. Degree in Scientific Computing 8 Ph.D. Degree Ph. D. Degree in Pure Mathematics 9 Ph. D Degree in Applied Mathematics 10 Ph. D. Degree in Mathematical Statistics 11 Ph. D Degree in Computer Science 12 Ph. D Degree in Scientific Computing 13 2- Physics Department Physics Programs 14 Diplomas Diploma in Medical Physics 15 M.Sc. Degree M.Sc. Degree in Solid State Physics 16 M.Sc. Degree in Nanomaterials 17 M.Sc. Degree in Nuclear Physics 18 M.Sc. Degree in Radiation Physics 19 M.Sc. Degree in Plasma Physics 20 M.Sc. Degree in Laser Physics 21 M.Sc. Degree in Theoretical Physics 22 M.Sc. Degree in Medical Physics 23 Ph.D. Degree Ph.D. Degree in Solid State Physics 24 Ph.D. Degree in Nanomaterials 25 Ph.D. Degree in Nuclear Physics 26 Ph.D. Degree in Radiation Physics 27 Ph.D. Degree in Plasma Physics 28 Ph.D. Degree in Laser Physics 29 Ph.D. Degree in Theoretical Physics 30 3- Chemistry Department Chemistry Programs 31 Diplomas Professional Diploma in Biochemistry 32 Professional Diploma in Quality Control 33 Professional Diploma in Applied Forensic Chemistry 34 Professional Diploma in Applied Organic Chemistry 35 Environmental Analytical Chemistry Diploma 36 M.Sc. -
CHEMISTRY MODULE No.31 : Magnetic Properties of Transition
Web links http://en.wikipedia.org/wiki/Magnetism http://wwwchem.uwimona.edu.jm/courses/magnetism.html https://www.boundless.com/chemistry/textbooks/boundless-chemistry-textbook/transition- metals-22/bonding-in-coordination-compounds-crystal-field-theory-160/magnetic-properties- 616-6882/ http://en.wikipedia.org/wiki/Transition_metal http://chemwiki.ucdavis.edu/Inorganic_Chemistry/Crystal_Field_Theory/Crystal_Field_Theo ry/Magnetic_Properties_of_Coordination_Complexes Suggested Readings Miessler, G. L.; Tarr, D. A. (2003). Inorganic Chemistry (3rd ed.). Pearson Prentice Hall. ISBN 0-13-035471-6 Drago, R. S.Physical Methods In Chemistry. W.B. Saunders Company. ISBN 0721631843 (ISBN13: 9780721631844) Huheey, J. E.; Keiter, E.A. ; Keiter, R. L. ; Medhi O. K. Inorganic Chemistry: Principles of Structure and Reactivity.Pearson Education India, 2006 - Chemistry, Inorganic CHEMISTRY PAPER No.: 7; Inorganic Chemistry-II (Metal-Ligand Bonding, Electronic Spectra and Magnetic Properties of Transition Metal Complexes) MODULE No.31 : Magnetic properties of transition metal ions Carlin, R. L. Magnetochemistry. SPRINGER VERLAG GMBH. ISBN 10: 3642707351 / ISBN 13: 9783642707353 SELWOOD, P. W. MAGNETOCHEMISIRY. Swinburne Press. ISBN 1443724890. Earnshaw, A. Introduction to Magnetochemistry Academic Press. ISBN 10: 1483255239 / ISBN 13: 9781483255231 Lacheisserie É, D. T. De; Gignoux, D., Schlenker, M. Magnetism Time-Lines Timeline Image Description s 1600 Dr. William Gilbert published the first systematic experiments on magnetism in "De Magnete". Source: http://en.wikipedia.org/wiki/William_Gilbert_(astronomer) CHEMISTRY PAPER No.: 7; Inorganic Chemistry-II (Metal-Ligand Bonding, Electronic Spectra and Magnetic Properties of Transition Metal Complexes) MODULE No.31 : Magnetic properties of transition metal ions 1777 Charles-Augustin de Coulomb showed that the magnetic repulsion or attraction between magnetic poles varies inversely with the square of the http://en.wikipedia.org/wiki/Charles-Augustin_de_Coulomb distance r. -
Department of Chemistry Faculty of Science
M.Phil./Ph.D. Syllabus DEPARTMENT OF CHEMISTRY FACULTY OF SCIENCE THE UNIVERSITY OF RAJSHAHI Syllabus for The Degree of Master of Philosophy (M.Phil.)/ Doctor of Philosophy (Ph.D.) in Chemistry Session: 2017-2018 Department of Chemistry, University of Rajshahi January, 2018 DEPARTMENT OF CHEMISTRY Syllabus for M. Phil / Ph.D. Courses The following courses each of 100 marks are designed for M..Phil / Ph.D. students as per ordinance passed by the Academic Council held on 17-18/10-98 (decision no. 37 of 196th Academic Council) and approved by the Syndicate at its 351st meeting held on 22/10/98. Course Number Course Title Chem 611 Physical Chemistry - X Chem 612 Physical Chemistry - XI Chem 613 Physical Chemistry - XII Chem 621 Organic Chemistry - VIII Chem 622 Organic Chemistry - IX Chem 623 Industrial Chemistry - II Chem 631 Inorganic Chemistry - IX Chem 632 Inorganic Chemistry - X Chem 633 Analytical Chemistry – II Chem 634 Bioinorganic Chemistry * Marks Distribution: (a) Close Book Examination : 75 (b) Class Assessment : 25 A student must complete two courses out of the above ten courses. The courses will be assigned to a research fellow on the recommendation of supervisor(s) and approved by the departmental Chairman / Academic Committee. 1 Course : Chem 611 Physical Chemistry-X Examination : 4 hours Full marks : 100 1. Physical Properties of Gases: Kinetic molecular theory, equation of states and transport phenomena of gases. 2. Chemical Thermodynamics: Thermochemistry, statistical thermodynamics, non-equilibrium or reversible thermodynamics. 3. Chemical Equilibria, Phase Rule and Distribution law. 4. Electrochemistry:Electrolytic conductance, electrolytic transference and Ionic equilibria. 5. -
Dysprosium Single-Molecule Magnets Involving 1,10-Phenantroline-5,6
Dysprosium Single-Molecule Magnets Involving 1,10-Phenantroline-5,6-dione Ligand Olivier Galangau, J González, Vincent Montigaud, Vincent Dorcet, Boris Le Guennic, Olivier Cador, Fabrice Pointillart To cite this version: Olivier Galangau, J González, Vincent Montigaud, Vincent Dorcet, Boris Le Guennic, et al.. Dys- prosium Single-Molecule Magnets Involving 1,10-Phenantroline-5,6-dione Ligand. Magnetochemistry, MDPI, 2020, 6 (2), pp.19. 10.3390/magnetochemistry6020019. hal-02957777 HAL Id: hal-02957777 https://hal.archives-ouvertes.fr/hal-02957777 Submitted on 5 Oct 2020 HAL is a multi-disciplinary open access L’archive ouverte pluridisciplinaire HAL, est archive for the deposit and dissemination of sci- destinée au dépôt et à la diffusion de documents entific research documents, whether they are pub- scientifiques de niveau recherche, publiés ou non, lished or not. The documents may come from émanant des établissements d’enseignement et de teaching and research institutions in France or recherche français ou étrangers, des laboratoires abroad, or from public or private research centers. publics ou privés. Distributed under a Creative Commons Attribution| 4.0 International License magnetochemistry Article Dysprosium Single-Molecule Magnets Involving 1,10-Phenantroline-5,6-dione Ligand Olivier Galangau , Jessica Flores Gonzalez, Vincent Montigaud, Vincent Dorcet, Boris le Guennic , Olivier Cador and Fabrice Pointillart * Univ Rennes, CNRS, ISCR (Institut des Sciences Chimiques de Rennes) - UMR 6226, F-35000 Rennes, France; [email protected] -
Magneto-Luminescence Correlation in the Textbook Dysprosium(III) Nitrate Single-Ion Magnet Ekaterina Mamontova, Jérôme Long, Rute A
Magneto-Luminescence Correlation in the Textbook Dysprosium(III) Nitrate Single-Ion Magnet Ekaterina Mamontova, Jérôme Long, Rute A. S. Ferreira, Alexandre Botas, Dominique Luneau, Yannick Guari, Luis D. Carlos, Joulia Larionova To cite this version: Ekaterina Mamontova, Jérôme Long, Rute A. S. Ferreira, Alexandre Botas, Dominique Luneau, et al.. Magneto-Luminescence Correlation in the Textbook Dysprosium(III) Nitrate Single-Ion Magnet. Magnetochemistry, MDPI, 2016, 2 (4), pp.41. 10.3390/magnetochemistry2040041. hal-01399122 HAL Id: hal-01399122 https://hal.archives-ouvertes.fr/hal-01399122 Submitted on 13 Apr 2021 HAL is a multi-disciplinary open access L’archive ouverte pluridisciplinaire HAL, est archive for the deposit and dissemination of sci- destinée au dépôt et à la diffusion de documents entific research documents, whether they are pub- scientifiques de niveau recherche, publiés ou non, lished or not. The documents may come from émanant des établissements d’enseignement et de teaching and research institutions in France or recherche français ou étrangers, des laboratoires abroad, or from public or private research centers. publics ou privés. magnetochemistry Article Magneto-Luminescence Correlation in the Textbook Dysprosium(III) Nitrate Single-Ion Magnet Ekaterina Mamontova 1, Jérôme Long 1,*, Rute A. S. Ferreira 2, Alexandre M. P. Botas 2,3, Dominique Luneau 4, Yannick Guari 1, Luis D. Carlos 2 and Joulia Larionova 1 1 Institut Charles Gerhardt Montpellier, UMR 5253, Ingénierie Moléculaire et Nano-Objects, Université de Montpellier, -
Macrae/LC/Mcdowall
1074 LCGC VOLUME 18 NUMBER 10 OCTOBER 2000 www.chromatographyonline.com Chromatography Data Systems in Drug Discovery The author discusses the roles of mass spectrometry and chromatography data systems within drug discovery analytical laboratories. He also presents ways of using laboratory information management systems to integrate the chemical data. n this article I’ll examine the use of • liquid chromatography–mass spectrome- chromatography data systems in drug try (LC–MS), which is used to determine discovery. Of particular interest is ana- compound identity based on the predic- I lyzing the results of the chemical soups tion from the anticipated compound to be produced by combinatorial chemistry labo- synthesized ratories. • nuclear magnetic resonance spectroscopy, The problem is that chromatographers which serves as a backup for compound working in combinatorial chemistry can be identification and is used mainly at the in a no-win situation: the combinatorial start of the library synthesis. chemistry increases throughput, and the I’ll concentrate on HPLC and MS analy- result is that the number of samples to be sis and on the data systems used to manage assayed also increases. How can this work the data produced. If analysts in small labo- flow be managed? What can chromatogra- ratories synthesize more than 100,000 com- phers do to reduce the waiting times? One pounds per year, they generally will need to idea, presented by Sage and co-workers (1), interpret one chromatogram and one spec- is to use parallel analysis with an eight- trum per compound. Still printing on paper? channel multiplexed electrospray interface That’s a lot of trees. -
Combinatorial Chemistry-Parallel Synthesis 1. Introduction: the Drug Discovery Process
Medicinal Chemistry: Combinatorial Chemistry-Parallel Synthesis Agenda 1. Introduction: The Drug Discovery Process 2. Lead Discovery and Lead Optimization-Drugability -Drug-like molecules-the rule of 5 -Drug-like vs lead-like: the rule of 3 -Privileged scaffolds -Unwanted properties: frequent hitters-aggregate forming molecules 3. Combinatorial and Parallel Synthesis in Medicinal Chemistry -Historical background-objective -Compound mixtures versus single compounds -Solid phase synthesis versus synthesis in solution 4. Combinatorial Synthesis of Biopolymers -Polypeptides -Peptoids, Oligoureas, Oligocarbamates -Oligosaccharides -Oligonucletides, Oligonucleosides winter semester 09 Daniel Obrecht, Polyphor Ltd 1 Medicinal Chemistry: Combinatorial Chemistry-Parallel Synthesis Agenda 4. Combinatorial synthesis of Biopolymers (cont.) -Combinatorial synthesis-split-mixed synthesis -Tagging strategies 5. Strategies for the Synthesis of Small Molecule Libraries -Library synthesis planning -Synthesis strategies -Classical multi-component reactions (MCR’s) -Sequential multi-component reactions (SMCR’s) -Fragment-based lead discovery -Dynamic Combinatorial Synthesis; Target-guided synthesis (TGS) -Disulfide thethering -Click chemistry -Building blocks -Parallel and/or combinatorial synthesis -Parallel work-up winter semester 09 Daniel Obrecht, Polyphor Ltd 2 Medicinal Chemistry: Combinatorial Chemistry-Parallel Synthesis Agenda 6. Applications of Parallel Synthesis and Combinatorial Chemistry in Medicinal Chemistry: Case Studies -Drug targets 7.