Text for the series "Spectroscopic Techniques": Leading software designers and teachers of spectroscopy have pooled their expertise to devise a new series "Spectroscopic Techniques: An Interactive Course". User are able to gain a better understanding of a variety of spectroscopic techniques in these step-by-step guides. Let the experts show you new solutions to practiced problems using software provided on the interactive CD-ROM.
The Entrance to Practical NMR Spectroscopy This interactive tutorial is designed to introduce newcomers to the crucial and central step of NMR data processing. It enables and encourages you to process measured data according to your own special needs and ideas, rather than having to rely on automatic processing or specialist help. You are shown how to transform NMR data into 1D or 2D spectra in easy steps. Various processing strategies are explained, the necessary theoretical background presented, and practical hints, examples, exercises and problems are all included. The accompanying CD-ROM provides a comprehensive NMR data base and powerful software tools, based on WIN-NMR software designed by Bruker, which enable you to make best use of your NMR data. It is the interactive approach of using text, software and the appropriate sets of data that makes this a unique book on NMR spectroscopy.
A hands-on resource advocating an ordered approach to gathering and interpreting NMR data The second edition of Essential Practical NMR for Organic Chemistry delivers a pragmatic and accessible text demonstrating an ordered approach to gathering and interpreting NMR data. In this informal guide, you’ll learn to make sense of the high density of NMR information through the authors’ problem-solving strategies and interpretations. The book also discusses critical aspects of NMR theory, as well as data acquisition and processing strategy. It explains the use of NMR spectroscopy for dealing with problems of small organic molecule structural elucidation and includes a brand-new chapter on Nitrogen-15 NMR. Readers will also find: Strategies for preparing a sample, spectrum acquisition, processing, and interpreting your spectrum Fulsome discussions of Carbon-13 NMR spectroscopy Practical treatments of quantification, safety procedures, and relevant software An ideal handbook for anyone involved in using NMR to solve structural problems, this latest edition of Essential Practical NMR for Organic Chemistry will be particularly useful for chemists running and looking at their own NMR spectra, as well as those who work in small molecule NMR. It will also earn a place in the libraries of undergraduate and post-graduate organic chemistry students.
"The second edition of this book comes with a number of new figures, passages, and problems. Increasing the number of figures from 290 to 448 has necessarily added considerable length, weight, and, expense. It is my hope that the book has not lost any of its readability and accessibility. I firmly believe that most of the concepts needed to learn organic structure determination using nuclear magnetic resonance spectroscopy do not require an extensive mathematical background. It is my hope that the manner in which the material contained in this book is presented both reflects and validates this belief"--
Text for the series "Spectroscopic Techniques": Leading software designers and teachers of spectroscopy have pooled their expertise to devise a new series "Spectroscopic Techniques: An Interactive Course". User are able to gain a better understanding of a variety of spectroscopic techniques in these step-by-step guides. Let the experts show you new solutions to practiced problems using software provided on the interactive CD-ROM.
Nuclear magnetic resonance spectroscopy is a powerful biophysical technique for characterizing biological macromolecules including determination of three-dimensional structure, dynamics, and ligand interactions. The advent of multidimensional NMR spectroscopy facilitated a surge of structural and dynamical investigations of biological macromolecules by yielding unmatched gains in resolution. Indeed, the biological applications of NMR depend on acquiring the best possible spectra with desirable features such as high signal-to-noise ratio and high resolution. Because such spectra must be obtainable in reasonable time frames, practical limitations, in particular prohibitive multidimensional experiment times, have restricted implementation of NMR spectroscopy for certain biological problems. To address this problem, numerous data acquisition and signal processing strategies have been developed. To reduce the burden of experiment duration, nonuniform sampling can be used for collection of higher dimensionality experiments in shorter time frames and also permits acquisition of longer evolution times along indirect dimensions to achieve higher resolution spectra. However, data acquired according to nonuniform sampling strategies is not amenable to conventional data processing techniques, namely the Fourier Transform and therefore non-Fourier methods are increasingly relied upon due to their ability to handle such data. The relative prowess of these novel techniques and data processing algorithms have yet to be compared in a systematic fashion. Part of the difficulty is that non-Fourier methods present unique challenges due to their nonlinearity, which can produce nonrandom noise and render conventional metrics for spectral quality such as signal-to-noise ratio unreliable. The in situ receiver operating characteristic analysis (IROC) is a workflow for making comparisons between NMR data acquisition strategies and processing algorithms that circumvents the traditional difficulties of spectral comparison. IROC analysis is based on the Receiver Operating Characteristic curve and utilizes synthetic signals added to empirical data and yields several robust quantitative metrics for spectral quality. In this work, the theoretical development, underlying algorithm, and practical potential of IROC analysis are first presented to show its ability to make quantitative comparisons of spectral quality in situations were other metrics fail. The IROC method is subsequently applied to experimental data to quantify the sensitivity and resolution that can be achieved through various nonuniform sampling schemes that each have different properties.
This volume enables the newcomer to become familiar with the basic data acquisition procedures, modular pulse sequence units and complete sequences in NMR spectroscopy.
This 2nd edition begins with an overview of NMR development and applications in biological systems. It describes recent developments in instrument hardware and methodology. Chapters highlight the scope and limitation of NMR methods. While detailed math and quantum mechanics dealing with NMR theory have been addressed in several well-known NMR volumes, chapter two of this volume illustrates the fundamental principles and concepts of NMR spectroscopy in a more descriptive manner. Topics such as instrument setup, data acquisition, and data processing using a variety of offline software are discussed. Chapters further discuss several routine stategies for preparing samples, especially for macromolecules and complexes. The target market for such a volume includes researchers in the field of biochemistry, chemistry, structural biology and biophysics.
TWO-DIMENSIONAL (2D) NMR METHODS Practical guide explaining the fundamentals of 2D-NMR for experienced scientists as well as relevant for advanced students Two-Dimensional (2D) NMR Methods is a focused work presenting an overview of 2D-NMR concepts and techniques, including basic principles, practical applications, and how NMR pulse sequences work. Contributed to by global experts with extensive experience in the field, Two-Dimensional (2D) NMR Methods provides in-depth coverage of sample topics such as: Basics of 2D-NMR, data processing methods (Fourier and beyond), product operator formalism, basics of spin relaxation, and coherence transfer pathways Multidimensional methods (single- and multiple-quantum spectroscopy), NOESY (principles and applications), and DOSY methods Multiple acquisition strategies, anisotropic NMR in molecular analysis, ultrafast 2D methods, and multidimensional methods in bio-NMR TROSY (principles and applications), field-cycling and 2D NMR, multidimensional methods and paramagnetic NMR, and relaxation dispersion experiments This text is a highly useful resource for NMR specialists and advanced students studying NMR, along with users in research, academic and commercial laboratories that study or conduct experiments in NMR.
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. Presents strategies for assigning resonances to known structures and for deducing structures of unknown organic molecules based on their NMR spectra Contains 30 known and 30 unknown structure determination problems 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
