Unlike traditional NMR textbooks for chemists, this fresh look at the topic combines theory, technology and application in a wide range of fields, targeting biochemists, medicinal chemists, and structural biologists, as well as organic chemists. The text has been developed from a one-semester graduate-level course taught by the authors at the University of Zurich, and offers numerous intuitive illustrations, training exercises and plain-language explanations of complex theory. Divided into four major parts, the first introduces the theory, providing a profound understanding of why experiments work, without a rigorous mathematical treatment of all the physico-chemical computations and deliberately shorter than in most other NMR textbooks. Part two discusses current instrumentation and practical aspects, including sample preparation, processing of raw data and the use of databases, while the third part focuses on the main application of NMR, with examples and training spectra taken from a wide range of synthetic and natural compounds. Part four introduces a selection of modern NMR applications in chemistry, biochemistry, medicinal chemistry and molecular biology, explaining the protocols used and how to interpret the results. With its focus on practical aspects and applications, this text will prove useful long after leaving college, by helping users to select experimental methods and in setting up and running their own NMR experiments.
Oliver Zerbe is the head of the NMR department at the University of Zurich. He studied chemistry and obtained his PhD under the supervision of Wolfgang von Philipsborn in Zurich. After a Postdoctoral stay in the group of Kurt W?thrich at the ETH Zurich he conducted his Habilitation at the Institute of Pharmaceutical Sciences at the ETH. In 2003 he returned to his present location at the University of Zurich. His main interests are in structural biology and in the structure of membrane proteins in particular. Oliver Zerbe is the author of approx. 80 scientific publications in peer-reviewed journals and has edited one book, 'NMR in drug research'.
Table of Contents
INTRODUCTION What type of information can be obtained from NMR spectra? From 1D to 3D NMR
THEORY Theory of the nuclear spin and the NMR experiment The chemical shift Scalar couplings constants Nomenclature of Spin Systems Proton and carbon NMR Other nuclei Relaxation (Dipolar Couplings) and Motion The Nuclear Overhauser Effect (NOE) Exchange Phenomena and Variable Temperature NMR The Product Operator Formalism 2D NMR spectroscopy 3D NMR Solid-State NMR Spectroscopy
PRACTICE The components of an NMR spectrometer Processing of spectra Sample preparation Choice of Solvents Referencing Determination of stereochemistry and optical purity Hyphenation techniques (HPLC-NMR) and robotics Shift tables for important chemical groups and solvents Data bases
IDENTIFICATION AND STRUCTURE ELUCIDATION Spectroscopic Identification of Natural Products and Synthetic Compounds Typical Features in Spectra and Assignment Strategies for Terpenes, Steroids, Peptides, Carbohydrates, Alkaloids, Nucleic Acids
OTHER APPLICATIONS Reaction control by NMR Following enzymatic reactions by NMR Rational drug design using NMR (SAR by NMR) Screening techniques and molecular Interactions as studied by NMR