Optimizing Nmr Methods For Structure Elucidation

Author : Darcy C Burns,William F Reynolds
Publisher : Royal Society of Chemistry
Page : 254 pages
File Size : 48,5 Mb
Release : 2018-09-26
Category : Science
ISBN : 9781788015356

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Optimizing NMR Methods for Structure Elucidation by Darcy C Burns,William F Reynolds Pdf

This book is aimed at informing organic chemists and natural products chemists on the use of NMR for structure elucidation to enable them to ensure they yield the most reliable possible data in the minimum possible time. It covers the latest pulse sequences, acquisition and processing methods, practical areas not covered in most texts e.g. detailed consideration of the relative advantages and disadvantages of different pulse sequences, choosing acquisition and processing parameters to get the best possible data in the least possible time, pitfalls to avoid and how to minimize the risks of getting wrong structures. Useful in industrial, pharma or research environments, this reference book is for anyone involved with organic chemistry research and, in particular, natural products research requiring advice for getting the best results from the NMR facilities.

Author : Antony J. Williams,Gary E. Martin,David Rovnyak
Publisher : Royal Society of Chemistry
Page : 344 pages
File Size : 40,8 Mb
Release : 2016
Category : Science
ISBN : 9781849733830

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Modern NMR Approaches to the Structure Elucidation of Natural Products by Antony J. Williams,Gary E. Martin,David Rovnyak Pdf

Modern NMR Approaches for the Structure Elucidation of Natural Products is part of a two-volume set focusing on the structure elucidation of natural products. Volume 1 discusses contemporary NMR approaches including optimized hardware and experimental approaches to obtain both the highest quality and most appropriate spectral data for analysis. It also discusses data processing and algorithmic-based analysis of the data to establish molecular structures. This meshing of details regarding data acquisition, software and hardware approaches to the elucidation of natural products will bring together contributions from leading experts in the field. Volume 2 reviews the application of NMR to the analysis of a series of different natural product families including marine natural products, anti-cancer agents, alkaloids, terpenes, steroids, antibiotics, carbohydrates, peptides and venoms. There are no books on the market that are focused on the unique combination of experimental approaches and modern hardware and software approaches to the structure elucidation of natural products. These books will, spread over 2 volumes, bring together acknowledged experts in the field of structure elucidation and be attractive to those with a specific interest in the characterisation of natural products. The volumes will be an essential resource for NMR spectroscopists, natural product chemists and industrial researchers working on natural product analysis or the characterisation of impurities and degradation products of pharmaceuticals that can be scarce as natural product samples.

Author : G. Batta,K. Kövér,C. Szántay, Jr.
Publisher : Elsevier
Page : 356 pages
File Size : 53,7 Mb
Release : 1997-12-04
Category : Science
ISBN : 0080536506

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Methods for Structure Elucidation by High-Resolution NMR by G. Batta,K. Kövér,C. Szántay, Jr. Pdf

Nuclear Magnetic Resonance Spectroscopy (NMR) is now widely regarded as having evolved into a subscience. The field has become immensely diverse, ranging from medical use through solid state NMR to liquid state applications, with countless books and scientific journals devoted to these topics. Theoretical as well as experimental advance continues to be rapid, and has in fact accelerated by many novel innovations. This multi-authored book focuses on the latest developments in the rapidly evolving field of high resolution NMR, specifically with a view to applications on the structure elucidation of organic molecules of moderate molecular weight. Conceptually it differs from basic educational texts, hard-core scientific papers and regular review articles in that each chapter may be regarded as the authors' personal account of their special insights and results that crystallised after several years of research into a given topic. The book revolves around several themes and offers a handful of scientific "gems" of various colors, reflecting the great diversity of NMR. It contains 16 loosely connected chapters written by some of today's most accomplished NMR scientists in the world. Each chapter is a unique synthesis of the authors' previous research results in the given field, and thus projects special insights. Much emphasis has been given to the latest developments in NMR, in particular to selective pulses and pulsed field gradients. As a part of the series "Analytical Spectroscopy Library", with subsequent editions coming along this book should provide a platform for future research accounts of similar flavor. The material is presented in a mostly non-mathematical fashion, and is intended mainly for chemists, application NMR scientists and students with already some background in NMR. Some of the chapters slightly overlap in the discussed topics, which is particularly exciting in terms of gaining insight into the same area from different angles.

Author : Darcy C. Burns,William F. Reynolds
Publisher : Royal Society of Chemistry
Page : 238 pages
File Size : 47,6 Mb
Release : 2018-09-26
Category : Science
ISBN : 9781782625391

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Optimizing NMR Methods for Structure Elucidation by Darcy C. Burns,William F. Reynolds Pdf

This book is aimed at informing organic chemists and natural products chemists on the use of NMR for structure elucidation to enable them to ensure they yield the most reliable possible data in the minimum possible time. It covers the latest pulse sequences, acquisition and processing methods, practical areas not covered in most texts e.g. detailed consideration of the relative advantages and disadvantages of different pulse sequences, choosing acquisition and processing parameters to get the best possible data in the least possible time, pitfalls to avoid and how to minimize the risks of getting wrong structures. Useful in industrial, pharma or research environments, this reference book is for anyone involved with organic chemistry research and, in particular, natural products research requiring advice for getting the best results from the NMR facilities.

Author : Helmut Duddeck,Wolfgang Dietrich,Gabor Toth
Publisher : Springer Science & Business Media
Page : 214 pages
File Size : 42,5 Mb
Release : 2013-04-18
Category : Science
ISBN : 9783642883101

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Structure Elucidation by Modern NMR by Helmut Duddeck,Wolfgang Dietrich,Gabor Toth Pdf

During the last few years, routine applications of NMR (Nuclear Magnetic Resonance) techniques have developed at a tremendous pace. The latest generation of spectrometers have enabled chemists to perform new types of experiments, such as spinlock and inverse-detected methods. This third, revised and expanded edition introduces the latest methodologies and incorporates them into new exercises.

Author : Eberhard Breitmaier
Publisher : John Wiley & Sons
Page : 279 pages
File Size : 46,8 Mb
Release : 2002-11-22
Category : Science
ISBN : 9780470850077

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Structure Elucidation by NMR in Organic Chemistry by Eberhard Breitmaier Pdf

This text provides the graduate student with a systematic guide to unravelling structural information from the NMR spectra of unknown synthetic and natural compounds. A brief introduction gives an overview of the basic principles and elementary instrumental methods of NMR. This is followed by instructional strategy and tactical advice on how to translate spectra into meaningful structural information. The book provides the student with 55 sets of spectra of graduated complexity. These are designed to challenge the student's problem-solving abilities by the introduction of new concepts with each group of problems, followed by possible solutions and full explanations. A formula index of solutions is provided at the end of the text. This third edition, following on from the second (a reprint of the first edition with corrections), presents significant new material. Thus, actual methods of two-dimensional NMR such as some inverse techniques of heteronuclear shift correlation, as well as the detection of proton-proton connectivities and nuclear Overhauser effects are included. To demonstrate the applications of these methods, new problems have replaced those of previous editions.

Author : Mikhail E Elyashberg,Antony Williams,Kirill Blinov
Publisher : Royal Society of Chemistry
Page : 504 pages
File Size : 46,8 Mb
Release : 2015-11-09
Category : Science
ISBN : 9781782625766

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Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation by Mikhail E Elyashberg,Antony Williams,Kirill Blinov Pdf

Computer-Assisted Structure Elucidation (CASE) systems are a combination of software algorithms and tools to support and enable chemists and spectroscopists engaged in the process of molecular structure elucidation via the analysis of spectroscopic data. These expert systems dramatically reduce the time associated with structure elucidation and improve the reliability of the results. Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation describes the principles on which these expert systems for spectroscopic structure elucidation are based and concisely explains the algorithmic concepts behind the programs. The authors use their own personal experiences in the development of the Structure Elucidator (StrucEluc) CASE software system to discuss the present state-of-the-art in computer-assisted structure elucidation. Scientists that are presently using CASE systems will be interested in the algorithms and modern approaches and for organizations that are currently using the StrucEluc platform the book is designed to help researchers understand the strategies behind CASE as well as details regarding the StrucEluc platform. For scientists that have never used CASE systems they will now have access to all necessary information to understand CASE systems for mastering this new and very effective approach to structure elucidation. The authors overall goal is writing this book is to produce the 'must read' definitive text that will represent the results of decades of work to develop computer-assisted structure elucidation software systems. CASE systems are now powerful software tools commonly outperforming and correcting human interpretations of data. This book will also provide an historical perspective of the work of the founding fathers of the technique and identify the challenges that have been overcome to produce modern CASE systems.

Author : Timothy D.W. Claridge
Publisher : Elsevier
Page : 552 pages
File Size : 49,9 Mb
Release : 2016-04-22
Category : Science
ISBN : 9780080999937

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High-Resolution NMR Techniques in Organic Chemistry by Timothy D.W. Claridge Pdf

High-Resolution NMR Techniques in Organic Chemistry, Third Edition describes the most important NMR spectroscopy techniques for the structure elucidation of organic molecules and the investigation of their behaviour in solution. Appropriate for advanced undergraduate and graduate students, research chemists and NMR facility managers, this thorough revision covers practical aspects of NMR techniques and instrumentation, data collection, and spectrum interpretation. It describes all major classes of one- and two-dimensional NMR experiments including homonuclear and heteronuclear correlations, the nuclear Overhauser effect, diffusion measurements, and techniques for studying protein–ligand interactions. A trusted authority on this critical expertise, High-Resolution NMR Techniques in Organic Chemistry, Third Edition is an essential resource for every chemist and NMR spectroscopist.

Author : E. Breitmaier
Publisher : Unknown
Page : 265 pages
File Size : 41,7 Mb
Release : 1993
Category : Nuclear magnetic resonance spectroscopy
ISBN : OCLC:754873340

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Structure Elucidation by NMR in Organic Chemistry by E. Breitmaier Pdf

Author : Maria-Magdalena Cid,Jorge Bravo
Publisher : John Wiley & Sons
Page : 554 pages
File Size : 51,5 Mb
Release : 2015-04-20
Category : Science
ISBN : 9783527333363

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Structure Elucidation in Organic Chemistry by Maria-Magdalena Cid,Jorge Bravo Pdf

Intended for advanced readers, this is a review of all relevant techniques for structure analysis in one handy volume. As such, it provides the latest knowledge on spectroscopic and related techniques for chemical structure analysis, such as NMR, optical spectroscopy, mass spectrometry and X-ray crystallography, including the scope and limitation of each method. As a result, readers not only become acquainted with the techniques, but also the advantages of the synergy between them. This enables them to choose the correct analytical method for each problem, saving both time and resources. Special emphasis is placed on NMR and its application to absolute configuration determination and the analysis of molecular interactions. Adopting a practical point of view, the author team from academia and industry guarantees both solid methodology and applications essential for structure determination, equipping experts as well as newcomers with the tools to solve any structural problem.

Author : Jeffrey H. Simpson
Publisher : Academic Press
Page : 591 pages
File Size : 47,6 Mb
Release : 2011-12-30
Category : Science
ISBN : 9780123849700

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Organic Structure Determination Using 2-D NMR Spectroscopy by Jeffrey H. Simpson Pdf

"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"--

Author : Antony J. Williams,Gary E. Martin,David Rovnyak
Publisher : Unknown
Page : 329 pages
File Size : 55,9 Mb
Release : 2016
Category : Electronic book
ISBN : 184973383X

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Modern NMR Approaches to the Structure Elucidation of Natural Products: Data Acquisition and Applications to Compound Classes by Antony J. Williams,Gary E. Martin,David Rovnyak Pdf

The first volume in a two-part set that discusses contemporary NMR approaches for the structure elucidation of natural products. It covers optimized hardware and experimental approaches

Author : Nina C. Gonnella
Publisher : CRC Press
Page : 305 pages
File Size : 49,5 Mb
Release : 2013-03-15
Category : Science
ISBN : 9781439875063

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LC-NMR by Nina C. Gonnella Pdf

The isolation and structural characterization of substances present at very low concentrations, as is necessary to satisfy regulatory requirements for pharmaceutical drug degradants and impurities, can present scientific challenges. The coupling of HPLC with NMR spectroscopy has been at the forefront of cutting-edge technologies to address these issues. LC-NMR: Expanding the Limits of Structure Elucidation presents a comprehensive overview of key concepts in HPLC and NMR that are required to achieve definitive structure elucidation with very low levels of analytes. Because skill sets from both of these highly established disciplines are involved in LC-NMR, the author provides introductory background to facilitate readers’ proficiency in both areas, including an entire chapter on NMR theory. This book provides guidance in setting up LC-NMR systems, discussion of LC methods that are compatible with NMR, and an update on recent hardware and software advances for system performance, such as improvements in magnet design, probe technology, and solvent suppression techniques that enable unprecedented mass sensitivity in NMR. It also describes numerous NMR collection strategies, including continuous flow, stop flow, solid phase extraction (SPE), loop collection, and capillary electrophoresis. In addition, the author presents an overview of NMR experiments and techniques used in structure elucidation. The text focuses on current developments in chromatographic-NMR integration, with particular emphasis on utility in the pharmaceutical industry. Applications include trace analysis, analysis of mixtures, and detection of degradation products, impurities, metabolites, peptides, and more. The text discusses novel uses and emerging technologies that challenge detection limits as well future directions for this important technique. This book is a practical primary resource for NMR structure determination—including theory and application—that guides the reader through the steps required for isolation and NMR structure elucidation on the micro scale.

Author : Helmut Duddeck,Wolfgang Dietrich
Publisher : Springer Science & Business Media
Page : 256 pages
File Size : 48,6 Mb
Release : 1989
Category : Biochemistry
ISBN : UCBK:C051668016

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Structure Elucidation by Modern NMR by Helmut Duddeck,Wolfgang Dietrich Pdf

Author : Rongchun Zhang,Toshikazu Miyoshi,Pingchuan Sun
Publisher : Royal Society of Chemistry
Page : 590 pages
File Size : 48,6 Mb
Release : 2019-07-29
Category : Science
ISBN : 9781788018630

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NMR Methods for Characterization of Synthetic and Natural Polymers by Rongchun Zhang,Toshikazu Miyoshi,Pingchuan Sun Pdf

Since the introduction of FT-NMR spectroscopy around five decades ago, NMR has achieved significant advances in hardware and methodologies, accompanied with the enhancement of spectral resolution and signal sensitivity. Rapid developments in the polymers field mean that accurate and quantitative characterization of polymer structures and dynamics is the keystone for precisely regulating and controlling the physical and chemical properties of the polymer. This book specifically focuses on NMR investigation of complex polymers for the polymer community as well as NMR spectroscopists, and will push the development of both fields. It covers the latest advances, for example high field DNP and ultrafast MAS methodologies, and show how these novel NMR methods characterize various synthetic and natural polymers.