NMR — From Spectra to Structures


Book Description

Nuclear magnetic resonance spectroscopy is one of the most powerful analytical methods. This practice-oriented textbook aims at teaching how NMR experiments should be used to make structural asssignments. The book is intended as a practical guide for students and laboratory personnel, so that the emphasis is on practical rather than on theoretical aspects, which are treated only to the extent necessary to understand the experiments and to interpret the results. The second edition has been expanded to include several other heteronuclei ...




Organic Structures from 2D NMR Spectra


Book Description

The derivation of structural information from spectroscopic data is now an integral part of organic chemistry courses at all Universities. Over recent years, a number of powerful two-dimensional NMR techniques (e.g. HSQC, HMBC, TOCSY, COSY and NOESY) have been developed and these have vastly expanded the amount of structural information that can be obtained by NMR spectroscopy. Improvements in NMR instrumentation now mean that 2D NMR spectra are routinely (and sometimes automatically) acquired during the identification and characterisation of organic compounds. Organic Structures from 2D NMR Spectra is a carefully chosen set of more than 60 structural problems employing 2D-NMR spectroscopy. The problems are graded to develop and consolidate a student’s understanding of 2D NMR spectroscopy. There are many easy problems at the beginning of the collection, to build confidence and demonstrate the basic principles from which structural information can be extracted using 2D NMR. The accompanying text is very descriptive and focussed on explaining the underlying theory at the most appropriate level to sufficiently tackle the problems. Organic Structures from 2D NMR Spectra Is a graded series of about 60 problems in 2D NMR spectroscopy that assumes a basic knowledge of organic chemistry and a basic knowledge of one-dimensional NMR spectroscopy Incorporates the basic theory behind 2D NMR and those common 2D NMR experiments that have proved most useful in solving structural problems in organic chemistry Focuses on the most common 2D NMR techniques – including COSY, NOESY, HMBC, TOCSY, CH-Correlation and multiplicity-edited C-H Correlation. Incorporates several examples containing the heteronuclei 31P, 15N and 19F Organic Structures from 2D NMR Spectra is a logical follow-on from the highly successful “Organic Structures from Spectra” which is now in its fifth edition. The book will be invaluable for students of Chemistry, Pharmacy, Biochemistry and those taking courses in Organic Chemistry. Also available: Instructors Guide and Solutions Manual to Organic Structures from 2D NMR Spectra




Organic Structure Determination Using 2-D NMR Spectroscopy


Book Description

"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"--




Protein NMR Spectroscopy


Book Description

Protein NMR Spectroscopy, Second Edition combines a comprehensive theoretical treatment of NMR spectroscopy with an extensive exposition of the experimental techniques applicable to proteins and other biological macromolecules in solution. Beginning with simple theoretical models and experimental techniques, the book develops the complete repertoire of theoretical principles and experimental techniques necessary for understanding and implementing the most sophisticated NMR experiments. Important new techniques and applications of NMR spectroscopy have emerged since the first edition of this extremely successful book was published in 1996. This updated version includes new sections describing measurement and use of residual dipolar coupling constants for structure determination, TROSY and deuterium labeling for application to large macromolecules, and experimental techniques for characterizing conformational dynamics. In addition, the treatments of instrumentation and signal acquisition, field gradients, multidimensional spectroscopy, and structure calculation are updated and enhanced. The book is written as a graduate-level textbook and will be of interest to biochemists, chemists, biophysicists, and structural biologists who utilize NMR spectroscopy or wish to understand the latest developments in this field. - Provides an understanding of the theoretical principles important for biological NMR spectroscopy - Demonstrates how to implement, optimize and troubleshoot modern multi-dimensional NMR experiments - Allows for the capability of designing effective experimental protocols for investigations of protein structures and dynamics - Includes a comprehensive set of example NMR spectra of ubiquitin provides a reference for validation of experimental methods




Organic Structures from Spectra


Book Description

Offers a realistic approach to solving problems used by organic chemists. Covering all the major spectroscopic techniques, it provides a graded set of problems that develop and consolidate students' understanding of organic spectroscopy. This edition contains more elementary problems and a modern approach to NMR spectra.




Organic Structures from Spectra


Book Description

The derivation of structural information from spectroscopic data is now an integral part of organic chemistry courses at all Universities. A critical part of any such course is a suitable set of problems to develop the student’s understanding of how structures are determined from spectra. Organic Structures from Spectra, Fifth Edition is a carefully chosen set of more than 280 structural problems employing the major modern spectroscopic techniques, a selection of 27 problems using 2D-NMR spectroscopy, more than 20 problems specifically dealing with the interpretation of spin-spin coupling in proton NMR spectra and 8 problems based on the quantitative analysis of mixtures using proton and carbon NMR spectroscopy. All of the problems are graded to develop and consolidate the student’s understanding of organic spectroscopy. The accompanying text is descriptive and only explains the underlying theory at a level which is sufficient to tackle the problems. The text includes condensed tables of characteristic spectral properties covering the frequently encountered functional groups. The examples themselves have been selected to include all important common structural features found in organic compounds and to emphasise connectivity arguments. Many of the compounds were synthesised specifically for this purpose. There are many more easy problems, to build confidence and demonstrate basic principles, than in other collections. The fifth edition of this popular textbook: • includes more than 250 new spectra and more than 25 completely new problems; • now incorporates an expanded suite of new problems dealing with the analysis of 2D NMR spectra (COSY, C H Correlation spectroscopy, HMBC, NOESY and TOCSY); • has been expanded and updated to reflect the new developments in NMR and to retire older techniques that are no longer in common use; • provides a set of problems dealing specifically with the quantitative analysis of mixtures using NMR spectroscopy; • features proton NMR spectra obtained at 200, 400 and 600 MHz and 13C NMR spectra include DEPT experiments as well as proton-coupled experiments; • contains 6 problems in the style of the experimental section of a research paper and two examples of fully worked solutions. Organic Structures from Spectra, Fifth Edition will prove invaluable for students of Chemistry, Pharmacy and Biochemistry taking a first course in Organic Chemistry. Contents Preface Introduction Ultraviolet Spectroscopy Infrared Spectroscopy Mass Spectrometry Nuclear Magnetic Resonance Spectroscopy 2DNMR Problems Index Reviews from earlier editions “Your book is becoming one of the “go to” books for teaching structure determination here in the States. Great work!” “…I would definitely state that this book is the most useful aid to basic organic spectroscopy teaching in existence and I would strongly recommend every instructor in this area to use it either as a source of examples or as a class textbook”. Magnetic Resonance in Chemistry “Over the past year I have trained many students using problems in your book - they initially find it as a task. But after doing 3-4 problems with all their brains activities... working out the rest of the problems become a mania. They get addicted to the problem solving and every time they solve a problem by themselves, their confident level also increases.” “I am teaching the fundamentals of Molecular Spectroscopy and your books represent excellent sources of spectroscopic problems for students.”




NMR Spectroscopy Explained


Book Description

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.




Biological NMR Spectroscopy


Book Description

This book presents a critical assessment of progress on the use of nuclear magnetic resonance 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. The book, in honor of Oleg Jardetsky, one of the pioneers of the field, is edited by two of the most highly respected investigators using NMR, and features contributions by most of the leading workers in the field. It will be valued as a landmark publication that presents the state-of-the-art perspectives regarding one of today's most important technologies.




High-resolution NMR Techniques in Organic Chemistry


Book Description

From the initial observation of proton magnetic resonance in water and in paraffin, the discipline of nuclear magnetic resonance has seen unparalleled growth as an analytical method. Modern NMR spectroscopy is a highly developed, yet still evolving, subject which finds application in chemistry, biology, medicine, materials science and geology. In this book, emphasis is on the more recently developed methods of solution-state NMR applicable to chemical research, which are chosen for their wide applicability and robustness. These have, in many cases, already become established techniques in NMR laboratories, in both academic and industrial establishments. A considerable amount of information and guidance is given on the implementation and execution of the techniques described in this book.




The Practice of NMR Spectroscopy


Book Description

I. GENERAL When a sample containing hydrogen is placed in the Although it is assumed that the reader has been exposed static magnetic field, each hydrogen nucleus will precess to the elementary theory of NMR and to the operation at a frequency determined by the magnetic field it of an NMR spectrometer, a brief review of some of the actually experiences. This field, in turn, is determined by basic concepts and definitions will indicate the point of the electronic, and therefore the chemical, environment view used in this book and clarify some of the defini of the nucleus. Thus the variety of chemical environ tions. The discussion is confined to the hydrogen-l iso ments that exist in a molecule will produce a spectrum tope because this is by far the most generally used and, of precession frequencies that will indicate the chemical consequently, far more data are available for it than for nature of the various parts of the molecule. The remain any other isotope. This wealth of data, in turn, leads to ing problem is to observe this spectrum of frequencies. the most accurate and comprehensive set of spectra There are two general methods of observing the structure correlations. spectrum.