Differentiation of Chiral Compounds Using NMR Spectroscopy

The challenges faced by environmental scientists today are vast, complex, and multi-faceted. For instance, predicting the fate of an environmental pollutant or understanding ecosystem responses to climate change, necessitate a firm understanding of molecular structure and dynamics of environmental media as well as the components that exist and interact within this media. Furthermore, linking information obtained at the molecular-scale to ecosystem-level processes is a major pursuit of modern environmental research. As such, NMR spectroscopy and its scalability from the molecular-scale to the macroscopic-scale, is facilitating rapid growth in environmental science. In addition, the versatility of NMR spectroscopy has resulted in the development and implementation of different types of NMR techniques to examine the structure of various types of environmental samples, living and non-living, as well as the study of critical environmental processes. This comprehensive handbook is a collection of chapters that span from methods to how NMR is used in environmental research to gain insight into various ecosystem properties. It is organized into three parts: Part A focuses on methods used in environmental NMR which span from solution-state to magnetic resonance imaging. Part B emphasizes how NMR spectroscopy plays an essential role in understanding various types of environmental components and related processes, including different forms of organic matter found in soil, water, and air as well as how NMR is used to probe the fate of water, organic pollutants, and metals in the environment. Part C focuses on the growing field of environmental metabolomics which uses NMR as its main discovery platform. This volume highlights the immense potential of NMR spectroscopy to expand our fundamental understanding of environmental processes and how it will continue to do so well into the future. About eMagRes Handbooks eMagRes (formerly the Encyclopedia of Magnetic Resonance) publishes 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 eMagRes Handbooks on specific areas of NMR and MRI. The chapters of each of these handbooks will comprise a carefully chosen selection of eMagRes articles. In consultation with the eMagRes Editorial Board, the eMagRes handbooks are coherently planned in advance by specially-selected Editors, and new articles are written 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

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.

NMR Spectroscopy Explained : Simplified Theory, Applications and Examples for Organic Chemistry and Structural Biology provides a fresh, practical guide to NMR for both students and practitioners, in a clearly written and non-mathematical format. It gives the reader an intermediate level theoretical basis for understanding laboratory applications, developing concepts gradually within the context of examples and useful experiments. Introduces students to modern NMR as applied to analysis of organic compounds. Presents material in a clear, conversational style that is appealing to students. Contains comprehensive coverage of how NMR experiments actually work. Combines basic ideas with practical implementation of the spectrometer. Provides an intermediate level theoretical basis for understanding laboratory experiments. Develops concepts gradually within the context of examples and useful experiments. Introduces the product operator formalism after introducing the simpler (but limited) vector model.

This text is aimed at people who have some familiarity with high-resolution NMR and who wish to deepen their understanding of how NMR experiments actually ‘work’. This revised and updated edition takes the same approach as the highly-acclaimed first edition. The text concentrates on the description of commonly-used experiments and explains in detail the theory behind how such experiments work. The quantum mechanical tools needed to analyse pulse sequences are introduced set by step, but the approach is relatively informal with the emphasis on obtaining a good understanding of how the experiments actually work. The use of two-colour printing and a new larger format improves the readability of the text. In addition, a number of new topics have been introduced: How product operators can be extended to describe experiments in AX2 and AX3 spin systems, thus making it possible to discuss the important APT, INEPT and DEPT experiments often used in carbon-13 NMR. Spin system analysis i.e. how shifts and couplings can be extracted from strongly-coupled (second-order) spectra. How the presence of chemically equivalent spins leads to spectral features which are somewhat unusual and possibly misleading, even at high magnetic fields. A discussion of chemical exchange effects has been introduced in order to help with the explanation of transverse relaxation. The double-quantum spectroscopy of a three-spin system is now considered in more detail. Reviews of the First Edition “For anyone wishing to know what really goes on in their NMR experiments, I would highly recommend this book” – Chemistry World “…I warmly recommend for budding NMR spectroscopists, or others who wish to deepen their understanding of elementary NMR theory or theoretical tools” – Magnetic Resonance in Chemistry

This is the second edition of a unique book in the field of in vivo NMR covering in detail the technical and biophysical aspects of the technique. The contents of the book are appropriate to both beginners and experienced users of in vivo NMR spectroscopy. The new edition is focussed on bringing the reader practical insights and advice, but is also geared towards use as a study aid and in NMR courses. Recent advances in NMR spectroscopy, like high field NMR, hyperpolarized NMR and new localization and editing techniques have been included. An extensive and updated treatment of radiofrequency pulses is given, together with several tables and recipes for their generation. Solutions to the exercises within this text can be found here

This book is for those familiar with solution-state NMR who are encountering solid-state NMR for the first time. It presents the current understanding and applications of solid-state NMR with a rigorous but readable approach, making it easy for someone who merely wishes to gain an overall impression of the subject without details. This dual requirement is met through careful construction of the material within each chapter. The book is divided into two parts: «Fundamentals» and «Further Applications.» The section on Fundamentals contains relatively long chapters that deal with the basic theory and practice of solid-state NMR. The essential differences and extra scope of solid-state NMR over solution-state is dealt with in an introductory chapter. The basic techniques that all chapters rely on are collected into a second chapter to avoid unnecessary repetition later. Remaining chapters in the «Fundamentals» part deal with the major areas of solid-state NMR which all solid-state NMR spectroscopists should know about. Each begins with an overview of the topic that puts the chapter in context. The basic principles upon which the techniques in the chapter rely are explained in a separate section. Each of these chapters exemplifies the principles and techniques with the applications most commonly found in current practice. The «Further Applications» section contains a series of shorter chapters which describe the NMR techniques used in other, more specific areas. The basic principles upon which these techniques rely will be expounded only if not already in the Fundamentals part.

Provides a theoretical introduction to graduate scientists and industrial researchers towards the understanding of the assignment of 1H NMR spectra Discusses, and includes on enclosed CD, one of the best, the fastest and most applicable pieces of NMR prediction software available Allows students of organic chemistry to solve problems on 1H NMR with access to over 500 assigned spectra

The state-of-the-art in NMR spectral analysis. This interactive tutorial provides readers with a comprehensive range of software tools and techniques, as well as the necessary theoretical knowledge required to analyze their spectra and obtain the correct NMR parameters. Modern Spectral Analysis provides expert guidance, by presenting efficient strategies to extract NMR parameters from measured spectra. A database of selected spectra and modern, powerful WIN-NMR software designed by Bruker are provided on the enclosed CD-ROM. The programs provided are 1 D WIN-NMR, WIN-DAISY, WIN-DR and WIN-DYNAMICS, and direct data exchange between all these programs is possible. Readers are shown how they can obtain maximum structural information from their 1 D NMR spectra with time-saving computer assistance. Practical problems that can occur and their solutions are discussed at length using clear, easy-to-follow examples. Both homo- and heteronuclear and first- and second-order spin systems are demonstrated. Moreover, relaxation analysis, nuclear Overhauser effects and magnetic site exchange are all covered in this hands-on guide to NMR spectral analysis.

Since the development of the NMR spectrometer in the 1950s, NMR spectra have been widely used for the elucidation of the 2D structure of newly synthesized and natural compounds. In the 1980s, the high-resolution NMR spectrometer (> 300 Mhz) and 2D experiments were introduced, which opens up the possibility to determine the 3D structure of large molecules, especially biomolecules. However, NMR spectroscopy has been rarely applied to drug analysis. This book illustrates the power and versatility of NMR spectroscopy in the determination of impurities in and the content of drugs, the composition of polymer excipients, the characterization of isomeric drug mixtures, the complexity of drugs with small-size components or ions, and the behavior of drugs in acid and basic solution. In addition, NMR spectroscopy and especially the hyphenated technique with HPLC is shown to be a powerful tool to measure a drug and its metabolites in various body fluids. The solid state NMR technique can give information on the structure, especially the conformation of drugs and excipients in drug formulations. Recently, SAR by NMR, introduced by Fesik, impressively demonstrated the potential of NMR spectroscopy in drug development and in the characterization of the interaction between large molecules and ligands. The complexation between proteins, lipids and cyclodextrins with drugs is described. Finally, NMR imaging (MRI and MRS) can be used to characterize the liberation of drugs from a drug formulation. Furthermore, the distribution of substances in plants, in animals, in tissues and in humans can be visualized by imaging. In short, this book covers all aspects of drug analysis.

Presents basic concepts, experimental methodology and data acquisition, and processing standards of in vivo NMR spectroscopy This book covers, in detail, the technical and biophysical aspects of in vivo NMR techniques and includes novel developments in the field such as hyperpolarized NMR, dynamic 13C NMR, automated shimming, and parallel acquisitions. Most of the techniques are described from an educational point of view, yet it still retains the practical aspects appreciated by experimental NMR spectroscopists. In addition, each chapter concludes with a number of exercises designed to review, and often extend, the presented NMR principles and techniques. The third edition of In Vivo NMR Spectroscopy: Principles and Techniques has been updated to include experimental detail on the developing area of hyperpolarization; a description of the semi-LASER sequence, which is now a method of choice; updated chemical shift data, including the addition of 31P data; a troubleshooting section on common problems related to shimming, water suppression, and quantification; recent developments in data acquisition and processing standards; and MatLab scripts on the accompanying website for helping readers calculate radiofrequency pulses. Provide an educational explanation and overview of in vivo NMR, while maintaining the practical aspects appreciated by experimental NMR spectroscopists Features more experimental methodology than the previous edition End-of-chapter exercises that help drive home the principles and techniques and offer a more in-depth exploration of quantitative MR equations Designed to be used in conjunction with a teaching course on the subject In Vivo NMR Spectroscopy: Principles and Techniques, 3rd Edition is aimed at all those involved in fundamental and/or diagnostic in vivo NMR, ranging from people working in dedicated in vivo NMR institutes, to radiologists in hospitals, researchers in high-resolution NMR and MRI, and in areas such as neurology, physiology, chemistry, and medical biology.