Download or read book NMR Crystallography written by Robin K. Harris and published by John Wiley & Sons. This book was released on 2012-12-19 with total page 523 pages. Available in PDF, EPUB and Kindle. Book excerpt: The content of this volume has been added to eMagRes (formerly Encyclopedia of Magnetic Resonance) - the ultimate online resource for NMR and MRI. The term "NMR Crystallography" has only recently come into common usage, and even now causes raised eyebrows within some parts of the diffraction community. The power of solid-state NMR to give crystallographic information has considerably increased since the CPMAS suite of techniques was introduced in 1976. In the first years of the 21st century, the ability of NMR to provide information to support and facilitate the analysis of single-crystal and powder diffraction patterns has become widely accepted. Indeed, NMR can now be used to refine diffraction results and, in favorable cases, to solve crystal structures with minimal (or even no) diffraction data. The increasing ability to relate chemical shifts (including the tensor components) to the crystallographic location of relevant atoms in the unit cell via computational methods has added significantly to the practice of NMR crystallography. Diffraction experts will increasingly welcome NMR as an allied technique in their structural analyses. Indeed, it may be that in the future crystal structures will be determined by simultaneously fitting diffraction patterns and NMR spectra. This Handbook is organised into six sections. The first contains an overview and some articles on fundamental NMR topics, followed by a section concentrating on chemical shifts, and one on coupling interactions. The fourth section contains articles describing how NMR results relate to fundamental crystallography concepts and to diffraction methods. The fifth section concerns specific aspects of structure, such as hydrogen bonding. Finally, four articles in the sixth section give applications of NMR crystallography to structural biology, organic & pharmaceutical chemistry, inorganic & materials chemistry, and geochemistry. About EMR Handbooks / eMagRes Handbooks The Encyclopedia of Magnetic Resonance (up to 2012) and eMagRes (from 2013 onward) publish a wide range of online articles on all aspects of magnetic resonance in physics, chemistry, biology and medicine. The existence of this large number of articles, written by experts in various fields, is enabling the publication of a series of EMR Handbooks / eMagRes Handbooks on specific areas of NMR and MRI. The chapters of each of these handbooks will comprise a carefully chosen selection of articles from eMagRes. In consultation with the eMagRes Editorial Board, the EMR Handbooks / eMagRes Handbooks are coherently planned in advance by specially-selected Editors, and new articles are written (together with updates of some already existing articles) to give appropriate complete coverage. The handbooks are intended to be of value and interest to research students, postdoctoral fellows and other researchers learning about the scientific area in question and undertaking relevant experiments, whether in academia or industry. Have the content of this Handbook and the complete content of eMagRes at your fingertips! Visit: www.wileyonlinelibrary.com/ref/eMagRes View other eMagRes publications here
Download or read book Proceedings of 3rd Edition of International conference on Advanced Spectroscopy Crystallography and Applications in Modern Chemistry 2018 written by EuroScicon and published by EuroScicon. This book was released on 2018-05-29 with total page 76 pages. Available in PDF, EPUB and Kindle. Book excerpt: June 04-05, 2018 London, UK Key Topics : Chemical Crystallography, Advanced Crystallography, Crystallography Of Novel Materials, Spectroscopy, Spectroscopy Applications, Crystal Growth, Precession Electron Diffraction (PED), Nuclear Magnetic Resonance Crystallography (NMR Crystallography), Electron Crystallography, Recent Development In The X-Ray Studies, Crystallography Applications, Advances In Neutron Diffraction, Biological Structure Determination, Crystallography In Biology, Application Of Modern Chemistry,
Download or read book Pharmaceutical Crystals written by Tong Li and published by John Wiley & Sons. This book was released on 2018-10-16 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: An important resource that puts the focus on understanding and handling of organic crystals in drug development Since a majority of pharmaceutical solid-state materials are organic crystals, their handling and processing are critical aspects of drug development. Pharmaceutical Crystals: Science and Engineering offers an introduction to and thorough coverage of organic crystals, and explores the essential role they play in drug development and manufacturing. Written contributions from leading researchers and practitioners in the field, this vital resource provides the fundamental knowledge and explains the connection between pharmaceutically relevant properties and the structure of a crystal. Comprehensive in scope, the text covers a range of topics including: crystallization, molecular interactions, polymorphism, analytical methods, processing, and chemical stability. The authors clearly show how to find solutions for pharmaceutical form selection and crystallization processes. Designed to be an accessible guide, this book represents a valuable resource for improving the drug development process of small drug molecules. This important text: Includes the most important aspects of solid-state organic chemistry and its role in drug development Offers solutions for pharmaceutical form selection and crystallization processes Contains a balance between the scientific fundamental and pharmaceutical applications Presents coverage of crystallography, molecular interactions, polymorphism, analytical methods, processing, and chemical stability Written for both practicing pharmaceutical scientists, engineers, and senior undergraduate and graduate students studying pharmaceutical solid-state materials, Pharmaceutical Crystals: Science and Engineering is a reference and textbook for understanding, producing, analyzing, and designing organic crystals which is an imperative skill to master for anyone working in the field.
Download or read book Modern Methods in Solid state NMR written by Paul Hodgkinson and published by Royal Society of Chemistry. This book was released on 2018-04-05 with total page 452 pages. Available in PDF, EPUB and Kindle. Book excerpt: Solid-state NMR covers an enormous range of material types and experimental techniques. Although the basic instrumentation and techniques of solids NMR are readily accessible, there can be significant barriers, even for existing experts, to exploring the bewildering array of more sophisticated techniques. In this unique volume, a range of experts in different areas of modern solid-state NMR explain about their area of expertise, emphasising the “practical aspects” of implementing different techniques, and illustrating what questions can and cannot be addressed. Later chapters address complex materials, showing how different NMR techniques discussed in earlier chapters can be brought together to characterise important materials types. The volume as a whole focusses on topics relevant to the developing field of “NMR crystallography” – the use of solids NMR as a complement to diffraction crystallography. This book is an ideal complement to existing introductory texts and reviews on solid-state NMR. New researchers wanting to understand new areas of solid-state NMR will find each chapter to be the equivalent to spending time in the laboratory of an internationally leading expert, learning the hints and tips that make the difference between knowing about a technique and being ready to put it into action. With no equivalent on the market, it will be of interest to every solid-state NMR researcher (academic and postgraduate) working in the chemical sciences.
Download or read book X PLOR written by Axel T. Brünger and published by Yale University Press. This book was released on 1992-01-01 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt: X-PLOR is a highly sophisticated computer program that provides an interface between theoretical foundations and experimental data in structural biology, with specific emphasis on X-ray crystallography and nuclear magnetic resonance spectroscopy in solution of large biological macro-molecules. This manual to X-PLOR Version 3.1 presents the theoretical background, syntax, and function of the program and also provides a comprehensive list of references and sample input files with comments. It is intended primarily for researchers and students in the fields of computational chemistry, structural biology, and computational molecular biology.
Download or read book Annual Reports on NMR Spectroscopy written by and published by Academic Press. This book was released on 2018-01-02 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: Annual Reports on NMR Spectroscopy, Volume 93 provides a thorough and in-depth accounting of progress in nuclear magnetic resonance (NMR) spectroscopy and its many applications. This updated volume in this premier resource for both specialists and non-specialists focuses on NMR at Giga-Pascal Pressures, Ultrafast 2D NMR: Methods and Applications, Perspective on the Hyperpolarization Technique Signal Amplification by Reversible Exchange (SABRE) in NMR Spectroscopy and MR Imaging, and Recent Advances in 11B Solid-State Nuclear Magnetic Resonance Spectroscopy of Crystalline Solids, and Progress in Our Understanding of 19F Chemical Shifts, amongst other timely topics. Serves as the premier resource for learning the new techniques and applications of NMR spectroscopy Provides a key reference for chemists and physicists using NMR spectroscopy to study the structure and dynamics of molecules Covers all aspects of molecular science, including MRI (Magnetic Resonance Imaging)
Download or read book NMR Spectroscopy for Probing Functional Dynamics at Biological Interfaces written by Anirban Bhunia and published by Royal Society of Chemistry. This book was released on 2022-08-17 with total page 733 pages. Available in PDF, EPUB and Kindle. Book excerpt: NMR spectroscopy has found a wide range of applications in life sciences over recent decades. Providing a comprehensive amalgamation of the scattered knowledge of how to apply high-resolution NMR techniques to biomolecular systems, this book will break down the conventional stereotypes in the use of NMR for structural studies. The major focus is on novel approaches in NMR which deal with the functional interface of either protein-protein interactions or protein-lipid interactions. Bridging the gaps between structural and functional studies, the Editors believe a thorough compilation of these studies will open an entirely new dimension of understanding of crucial functional motifs. This in turn will be helpful for future applications into drug design or better understanding of systems. The book will appeal to NMR practitioners in industry and academia who are looking for a comprehensive understanding of the possibilities of applying high-resolution NMR spectroscopic techniques in probing biomolecular interactions.
Download or read book Symmetry Spectroscopy and Crystallography written by Robert Glaser and published by John Wiley & Sons. This book was released on 2015-10-05 with total page 330 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written in a clear and understandable manner, this book provides a comprehensive, yet non-mathematical, treatment of the topic, covering the basic principles of symmetry and the important spectroscopic techniques used to probe molecular structure. The chapters are extensively illustrated and deal with such topics as symmetry elements, operations and descriptors, symmetry guidelines, high-fidelity pseudosymmetry, crystallographic symmetry, molecular gears, and experimental techniques, including X-ray crystallography and NMR spectroscopy. As an additional feature, 3D animations of most of the structures and molecules covered are available online at wiley.com. As a result, chemists learn how to understand and predict molecular structures and reactivity. Authored by a renowned expert with numerous publications and an excellent track record in research and teaching, this is a useful source for graduate students and researchers working in the field of organic synthesis, physical chemistry, biochemistry, and crystallography, while equally serving as supplementary reading for courses on stereochemistry, organic synthesis, or crystallography.
Download or read book Nuclear Magnetic Resonance Spectroscopy of Liquid Crystals written by Ronald Y. Dong and published by World Scientific. This book was released on 2010 with total page 462 pages. Available in PDF, EPUB and Kindle. Book excerpt: This edited volume provides an extensive overview of how nuclear magnetic resonance can be an indispensable tool to investigate molecular ordering, phase structure, and dynamics in complex anisotropic phases formed by liquid crystalline materials. The chapters, written by prominent scientists in their field of expertise, provide a state-of-the-art scene of developments in liquid crystal research. The fantastic assortment of shape anisotropy in organic molecules leads to the discoveries of interesting new soft materials made at a rapid rate which not only inject impetus to address the fundamental physical and chemical phenomena, but also the potential applications in memory, sensor and display devices. The review volume also covers topics ranging from solute studies of molecules in nematics and biologically ordered fluids to theoretical approaches in treating elastic and viscous properties of liquid crystals. This volume is aimed at graduate students, novices and experts alike, and provides an excellent reference material for readers interested in the liquid crystal research. It is, indeed, a reference book for every science library to have. Sample Chapter(s). Chapter 1: Novel Strategies for Solving Highly Complex NMR Spectra of Solutes in Liquid Crystals (1,464 KB). Contents: Novel Strategies for Solving Highly Complex NMR Spectra of Solutes in Liquid Crystals (E E Burnell et al.); Analytical Potentials of Natural Abundance Deuterium NMR Spectroscopy in Achiral Thermotropics and Polypeptide Chiral Oriented Solvents (P Lesot & C Aroulande); Noble Gas Probes in NMR Studies of Liquid Crystals (J Jokisaari); Bicelles OCo A Much Needed Magic Wand to Study Membrane Proteins by NMR Spectroscopy (R Soong et al.); Advances in Proton NMR Relaxometry in Thermotropic Liquid Crystals (P J Sebastiuo et al.); Deuterium NMR Study of Magnetic Field Distortions in Ferroelectric Mesogens (R Y Dong); Deuteron NMR Study of the Effects of Random Quenched Disorder in 12CB Silica Dispersions (D Finotello & V Pandya); Dynamics of Liquid Crystals by Means of Deuterium NMR Relaxation (C A Veracini & V Domenici); Translational Self-Diffusion Measurements in Thermotropics by Means of Statistic Field Gradients NMR Diffusometry (M Cifelli); Deuterium NMR Studies of Static and Dynamic Director Alignment for Low Molar Mass Nematics (A Sugimura & G R Luckhurst); Viscoelastic Properties of Liquid Crystals: Statistical-Mechanical Approaches and Molecular Dynamics Simulations (A V Zakharov); Carbon-13 NMR Studies of Thermotropic Liquid Crystals (R Y Dong); A Combined DFT and Carbon-13 NMR Study of a Biaxial Bent-Core Mesogen (A Marini et al.). Readership: Chemists, physicists and material scientists. In particular, NMR spectroscopists.
Download or read book Solid State NMR written by Jerry C. C. Chan and published by Springer. This book was released on 2011-10-12 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: Dipolar Recoupling, by Niels Chr. Nielsen, Lasse A. Strassø and Anders B. Nielsen.- Solid-State NMR Techniques for the Structural Determination of Amyloid Fibrils, by Jerry C. C. Chan.- Solid-State 19F-NMR of Peptides in Native Membranes, by Katja Koch, Sergii Afonin, Marco Ieronimo, Marina Berditsch and Anne S. Ulrich.- Probing Quadrupolar Nuclei by Solid-State NMR Spectroscopy: Recent Advances, by Christian Fernandez and Marek Pruski.- Solid State NMR of Porous Materials Zeolites and Related Materials, by Hubert Koller and Mark Weiß.- Solid-State NMR of Inorganic Semiconductors, by James P. Yesinowski.-
Download or read book Fragment Based Drug Discovery and X Ray Crystallography written by Thomas G. Davies and published by Springer Science & Business Media. This book was released on 2012-01-23 with total page 235 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introduction to Fragment-Based Drug Discovery, by Daniel A. Erlanson Fragment Screening Using X-Ray Crystallography, by Thomas G. Davies and Ian J. Tickle Hsp90 Inhibitors and Drugs from Fragment and Virtual Screening, by Stephen Roughley, Lisa Wright, Paul Brough, Andrew Massey and Roderick E. Hubbard Combining NMR and X-ray Crystallography in Fragment-Based Drug Discovery: Discovery of Highly Potent and Selective BACE-1 Inhibitors, by Daniel F. Wyss, Yu-Sen Wang, Hugh L. Eaton, Corey Strickland, Johannes H. Voigt, Zhaoning Zhu and Andrew W. Stamford Combining Biophysical Screening and X-Ray Crystallography for Fragment-Based Drug Discovery, by Michael Hennig, Armin Ruf and Walter Huber Targeting Protein–Protein Interactions and Fragment-Based Drug Discovery, by Eugene Valkov, Tim Sharpe, May Marsh, Sandra Greive and Marko Hyvönen Fragment Screening and HIV Therapeutics, by Joseph D. Bauman, Disha Patel and Eddy Arnold Fragment-Based Approaches and Computer-Aided Drug Discovery, by Didier Rognan
Download or read book Nuclear Magnetic Resonance written by Krystyna Kamienska-Trela and published by Royal Society of Chemistry. This book was released on 2012 with total page 499 pages. Available in PDF, EPUB and Kindle. Book excerpt: As a spectroscopic method, nuclear magnetic resonance (NMR) has seen spectacular growth, both as a technique and in its applications. Today's applications of NMR span a wide range of scientific disciplines, from physics to biology to medicine. Each volume of Nuclear Magnetic Resonance comprises a combination of annual and biennial reports which together provide comprehensive coverage of the literature on this topic. This Specialist Periodical Report reflects the growing volume of published work involving NMR techniques and applications, in particular NMR of natural macromolecules, which is covered in two reports: NMR of Proteins and Nucleic Acids and NMR of Carbohydrates, Lipids and Membranes. In his foreword to the first volume, the then editor, Professor Robin Harris announced that the series would be a discussion on the phenomena of NMR and that articles will be critical surveys of the literature. This has certainly remained the case throughout the series, and in line with its predecessors, Volume 40 aims to provide a comprehensive coverage of the relevant NMR literature. For the current volume this relates to publications appearing between June 2009 and May 2010 (the nominal period of coverage in volume 1 was July 1970 to June 1971). Compared to the previous volume there are some new members of the reporting team. Theoretical Aspects of Spin-Spin Couplings are covered by J. Jazwinski, while E. Swiezewska and J.W̤jcik provide an account of NMR of Carbohydrates, Lipids and Membranes.
Download or read book Crystallography Made Crystal Clear written by Gale Rhodes and published by Academic Press. This book was released on 2012-12-02 with total page 217 pages. Available in PDF, EPUB and Kindle. Book excerpt: Crystallography Made Crystal Clear is designed to meet the need for an X-ray analysis that is between brief textbook sections and complete treatments. The book provides non-crystallographers with an intellectually satisfying explanation of the principles of how protein models are gleaned from X-ray analysis. The understanding of these concepts will foster wise use of the models, including the recognition of the strengths and weaknesses of pictures or computer graphics. Since proteins comprise the majority of the mass of macromolecules in cells and carry out biologically important tasks, the book will be of interest to biologists. Provides accessible descriptions of principles of x-ray crystallography, built on simple foundations for anyone with a basic science backgroundLeads the reader through clear, thorough, unintimidating explanations of the mathematics behind crystallographyExplains how to read crystallography papers in research journalsIf you use computer-generated models of proteins or nucleic acids for:Studying molecular interactionsDesigning ligands, inhibitors, or drugsEngineering new protein functionsInterpreting chemical, kinetic, thermodynamic, or spectroscopic dataStudying protein foldingTeaching macromolecule structure,and if you want to read new structure papers intelligently; become a wiser user of macromolecular models; and want to introduce undergraduates to the important subject of x-ray crystallography, then this book is for you.
Download or read book Fundamentals of Protein NMR Spectroscopy written by Gordon S. Rule and published by Springer Science & Business Media. This book was released on 2006-02-16 with total page 543 pages. Available in PDF, EPUB and Kindle. Book excerpt: NMR spectroscopy has proven to be a powerful technique to study the structure and dynamics of biological macromolecules. Fundamentals of Protein NMR Spectroscopy is a comprehensive textbook that guides the reader from a basic understanding of the phenomenological properties of magnetic resonance to the application and interpretation of modern multi-dimensional NMR experiments on 15N/13C-labeled proteins. Beginning with elementary quantum mechanics, a set of practical rules is presented and used to describe many commonly employed multi-dimensional, multi-nuclear NMR pulse sequences. A modular analysis of NMR pulse sequence building blocks also provides a basis for understanding and developing novel pulse programs. This text not only covers topics from chemical shift assignment to protein structure refinement, as well as the analysis of protein dynamics and chemical kinetics, but also provides a practical guide to many aspects of modern spectrometer hardware, sample preparation, experimental set-up, and data processing. End of chapter exercises are included to emphasize important concepts. Fundamentals of Protein NMR Spectroscopy not only offer students a systematic, in-depth, understanding of modern NMR spectroscopy and its application to biomolecular systems, but will also be a useful reference for the experienced investigator.
Download or read book Solid State NMR written by David C. Apperley and published by Momentum Press. This book was released on 2012-06-10 with total page 280 pages. Available in PDF, EPUB and Kindle. Book excerpt: The power of nuclear magnetic resonance, NMR, for characterizing molecules dissolved in solution is widely acknowledged and NMR forms an essential component of undergraduate chemistry degrees. However, the application of NMR to the solid state is much less well appreciated. This text sets out the fundamental principles of solid-state NMR, explaining how NMR in solids differs from that in solution, showing how the various interactions of NMR can be manipulated to yield high-resolution spectra and to give information on local structure and dynamics in solids. This book aims to take some of the mystique out of solid-state NMR by providing a comprehensible discussion of the methodology, including the basic concepts and a practical guide to implementation of the experiments. A basic knowledge of solution-state NMR is assumed and is only briefly covered. The text is intended for those in academia and industry expecting to use solid-state NMR in their research and looking for an accessible introduction to the field. It will also be valuable for non-experts interested in learning how NMR can be usefully applied to solid systems. Detailed mathematical treatments are delayed to a chapter at the mid-point of the text and can be skipped. Introductions to experiments and numerical simulations are provided to help link NMR results to experimental practice. The different aspects of solid-state NMR, from basic pulse-and-acquire experiments to sophisticated techniques for the measurement of anisotropy information are presented. Examples illustrate the wide variety of applications of the technique and its complementarity to other solid-state characterization techniques such as X-ray diffraction. Various aspects of NMR crystallography are covered as are topics of motion in solids.
Download or read book Practical Protein Crystallography written by Duncan E. McRee and published by Elsevier. This book was released on 1999-09-27 with total page 514 pages. Available in PDF, EPUB and Kindle. Book excerpt: Designed for easy use by both beginning and experienced protein crystallographers, the second edition of Practical Protein Crystallography is an essential handbook for any scientist interested in solving a protein structure. The book includes examples of actual experiments and data, electron density maps, and computer methods. This second edition has new material covering CCP4, SHELX, cryocrystallography, MAD and automated fitting. In-depth coverage of every aspect of crystallography Coverage of the small details that can make or break projects Strongly application-oriented Exceptionally well illustrated Simple and easy-to-follow robust methods Tutorials with actual data available on the Web Useful for a broad spectrum of scientists
Download or read book NMR Basic Principles and Progress NMR Grundlagen und Fortschritte written by P. Diehl and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 160 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nuclear magnetic resonance spectroscopy, which has evolved only within the last 20 years, has become one of the very important tools in chemistry and physics. The literature on its theory and application has grown immensely and a comprehensive and adequate treatment of all branches by one author, or even by several, becomes increasingly difficult. This series is planned to present articles written by experts working in various fields of nuclear magnetic resonance spectroscopy, and will contain review articles as well as progress reports and original work. Its main aim, however, is to fill a gap, existing in literature, by publishing articles written by specialists, which take the reader from the introductory stage to the latest development in the field. The editors are grateful to the authors for the time and effort spent in writing the articles, and for their invaluable cooperation. The Editors Contents c. W. Hilbers and C. MacLean NMR of Molecules Oriented in Electric Fields.
