Описание: Organic Structure Determination Using 2-D NMR Spectroscopy: A Problem-Based Approach, Second Edition, is a primary text for a course in two-dimensional (2-D) nuclear magnetic resonance (NMR) techniques, with the goal to learn to identify organic molecular structure. It presents strategies for assigning resonances to known structures and for deducing structures of unknown organic molecules based on their NMR spectra. The book begins with a discussion of the NMR technique, while subsequent chapters cover instrumental considerations; data collection, processing, and plotting; chemical shifts; symmetry and topicity; through-bond effects; and through-space effects. The book also covers molecular dynamics; strategies for assigning resonances to atoms within a molecule; strategies for elucidating unknown molecular structures; simple and complex assignment problems; and simple and complex unknown problems. Each chapter includes problems that will enable readers to test their understanding of the material discussed. The book contains 30 known and 30 unknown structure determination problems. It also features a supporting website from which instructors can download the structures of the unknowns in selected chapters, digital versions of all figures, and raw data sets for processing. This book will stand as a single source to which instructors and students can go to obtain a comprehensive compendium of NMR problems of varying difficulty.
Описание: The two Practical Approach volumes on protein-ligand interaction do not comprise a comprehensive compilation of all the methods that can be used to investigate protein-ligand interactions. Instead, they are a selection of the most useful and easily applied methods and will be an invaluable guide to the principal techniques used to study the interactions of proteins and ligands. This second volume covers the major spectroscopic methods: FTIR, Raman, and fluorescence spectroscopy; circular dichroism, NMR, mass spectrometry, atomic force microscopy, and the use of paramagnetic probes. There are also chapters on X-ray crystallography and molecular modelling. Hydrodynamic and calorimetric techniques are covered in volume one. Both volumes are available individually, or as a set. Both volumes are written from a practical standpoint to be applicable to both academic and industrial scientists wishing to characterize protein-ligand systems by using a multi-disciplinary approach.
Описание: The two Practical Approach volumes on protein-ligand interaction do not comprise a comprehensive compilation of all the methods that can be used to investigate protein-ligand interactions. Instead, they are a selection of the most useful and easily applied methods and will be an invaluable guide to the principal techniques used to study the interactions of proteins and ligands. This second volume covers the major spectroscopic methods: FTIR, Raman, and fluorescence spectroscopy; circular dichroism, NMR, mass spectrometry, atomic force microscopy, and the use of paramagnetic probes. There are also chapters on X-ray crystallography and molecular modelling. Hydrodynamic and calorimetric techniques are covered in volume one. Both volumes are available individually, or as a set. Both volumes are written from a practical standpoint to be applicable to both academic and industrial scientists wishing to characterize protein-ligand systems by using a multi-disciplinary approach.
Описание: This text is designed as a practical introduction to quantum chemistry. Quantum chemistry is applied to explain and predict molecular spectroscopy and the electronic structure of atoms and molecules. In addition, the text provides a practical guide to using molecular mechanics and electronic structure computations including ab initio, semi-empirical, and density functional methods. The use of electronic structure computations is a timely subject as its applications in both theoretical and experimental chemical research is increasingly prevalent. This text is written in a format that fosters mastery of the subject both in competency in the mathematics and in obtaining a conceptual understanding of quantum mechanics. The chemistry student's interest is maintained early on in the text where quantum mechanics is developed by applying it to molecular spectroscopy and through conceptual questions labeled as Chemical Connection. Questions throughout the text labeled as Chemical Connection and Points of Further Understanding focus on conceptual understanding and consequences of quantum mechanics. If an Instructor chooses, these questions can be used as a basis for classroom discussion encouraging cooperative learning techniques. This text provides a solid foundation from which students can readily build further knowledge of quantum chemistry in more advanced courses. In cases where this is a final course in quantum chemistry, this text provides the student not only with an appreciation of the importance of quantum mechanics to chemistry, but also with a practical guide to using electronic structure computations.
Описание: Deals with breakthroughs in ion-channel research that have been brought about by joint efforts of experimental biophysicists and computational physicists, who together are beginning to unravel the story of these designed biomolecules. This book is aimed at researchers in nanodevices and biosensors, undergraduate and graduate students in biology.
Автор: Pettifor, D.g. Название: Bonding and structure of molecules and solids ISBN: 0198517866 ISBN-13(EAN): 9780198517863 Издательство: Oxford Academ Рейтинг: Цена: 6161 р. Наличие на складе: Поставка под заказ.
Описание: This volume explains the observed trends in the bonding and structure of molecules and solids within the framework of simple but predictive models that are based on the modern real-space approach to the electronic structure. It is directed at final year undergraduates and first year postgraduates in physics, chemistry, and materials science.
Название: Biological NMR Spectroscopy ISBN: 0195094689 ISBN-13(EAN): 9780195094688 Издательство: Oxford Academ Рейтинг: Цена: 17119 р. Наличие на складе: Поставка под заказ.
Описание: This text presents a critical assessment of progress on the use of nuclear magnetic resonance (NMR) spectroscopy to determine the structure of proteins, including brief reviews of the history of the field along with coverage of current clinical and in vivo applications.
Описание: This book provides a multidisciplinary overview to the application of high order derivative spectrophotometry and Electron Spin Resonance (ESR) spectroscopy in biology and ecology. The characteristics of the principle methods as well as the generation of reliable spectra are discussed in general terms allowing the reader to gain an idea of these methods’ potentials. Furthermore the authors give an extended overview to the spectroscopic and spectro-photometric analysis of specific biological materials. This volume is a well condensed description of an analytical method and a clear review to its application in biology and related fields and an essential tool for researchers who are new in the field of spectroscopic methods and their applications in the life sciences.
Автор: Nicolau Beckmann Название: Carbon-13 NMR Spectroscopy of Biological Systems, ISBN: 0120843706 ISBN-13(EAN): 9780120843701 Издательство: Elsevier Science Рейтинг: Цена: 6347 р. Наличие на складе: Поставка под заказ.
Описание: Aims to provide an in-depth understanding of 13C NMR as a tool in biological research. This title addresses subjects such as multidimensional heteronuclear techniques for structural studies of molecules in the liquid and solid states, the investigation of interactions in model membranes, and noninvasive metabolic studies performed on humans.
Автор: Osad`ko Igor Название: Selective Spectroscopy of Single Molecules ISBN: 3540441018 ISBN-13(EAN): 9783540441014 Издательство: Springer Рейтинг: Цена: 25295 р. Наличие на складе: Поставка под заказ.
Описание: This book is a comprehensive guide to the theory of optical band shape of guest-molecule-doped crystals, polymers and glasses. The dynamics of a single molecule, measured with the help of a train of photons emitted at random time moments, is a main subject of the book. The dynamics is calculated with the help of quantum-mechanical methods and equations for the density matrix of the system consisting of a single chromophore interacting with light, phonons and non-equilibrium tunneling systems of polymers and glasses. A dynamical theory for one- and two-photon counting methods used in single molecule spectroscopy is presented. Photon bunching and antibunching, jumps of optical lines, and quantum trajectories of various types are further topics addressed. This is the first book to present a detailed theoretical basis for single molecule spectroscopy. It also describes numerous experimental applications of the theory.
Описание: In his thesis, Matthias Junk takes an innovative approach to assess the local structure and dynamics of biological and synthetic amphiphilic macromolecules capable of transporting small molecules. Replacing the latter with stable radicals, he uses state-of-the-art electron paramagnetic resonance (EPR) spectroscopy to describe the highly relevant transport function from the viewpoint of the guest molecules. Such, he demonstrates that the functional structure of human serum albumin in solution significantly differs from its crystal structure – a consequence of the protein’s adaptability to host various endogenous compounds and drug molecules. Further, he shows that the thermal collapse of thermoresponsive hydrogels and dendronized polymers leads to static and dynamic heterogeneities on the nanoscale. These heterogeneities bear consequences for the material’s hosting properties and enable unforeseen complex catalytic functionalities.
Автор: Brown Название: Rotational Spectroscopy of Diatomic Molecules ISBN: 0521810094 ISBN-13(EAN): 9780521810098 Издательство: Cambridge Academ Рейтинг: Цена: 15065 р. Наличие на складе: Поставка под заказ.
Описание: The definitive text on the rotational spectroscopy of diatomic molecules.
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