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Essential Practical Nmr For Organic Chemistry

Author: S. A. Richards
Publisher: John Wiley & Sons
ISBN: 0470977221
Size: 43.38 MB
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This book describes the use of NMR spectroscopy for dealing with problems of small organic molecule structural elucidation. It features a significant amount of vital chemical shift and coupling information but more importantly, it presents sound principles for the selection of the techniques relevant to the solving of particular types of problem, whilst stressing the importance of extracting the maximum available information from the simple 1-D proton experiment and of using this to plan subsequent experiments. Proton NMR is covered in detail, with a description of the fundamentals of the technique, the instrumentation and the data that it provides before going on to discuss optimal solvent selection and sample preparation. This is followed by a detailed study of each of the important classes of protons, breaking the spectrum up into regions (exchangeables, aromatics, heterocyclics, alkenes etc.). This is followed by consideration of the phenomena that we know can leave chemists struggling; chiral centres, restricted rotation, anisotropy, accidental equivalence, non-first-order spectra etc. Having explained the potential pitfalls that await the unwary, the book then goes on to devote chapters to the chemical techniques and the most useful instrumental ones that can be employed to combat them. A discussion is then presented on carbon-13 NMR, detailing its pros and cons and showing how it can be used in conjunction with proton NMR via the pivotal 2-D techniques (HSQC and HMBC) to yield vital structural information. Some of the more specialist techniques available are then discussed, i.e. flow NMR, solvent suppression, Magic Angle Spinning, etc. Other important nuclei are then discussed and useful data supplied. This is followed by a discussion of the neglected use of NMR as a tool for quantification and new techniques for this explained. The book then considers the safety aspects of NMR spectroscopy, reviewing NMR software for spectral prediction and data handling and concludes with a set of worked Q&As.

High Resolution Nmr Techniques In Organic Chemistry

Author: Timothy D. W. Claridge
Publisher: Elsevier
ISBN: 9780080427997
Size: 59.86 MB
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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.

High Resolution Nmr Techniques In Organic Chemistry

Author: Timothy D.W. Claridge
Publisher: Elsevier
ISBN: 008099993X
Size: 32.17 MB
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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.

Practical Chemoinformatics

Author: Muthukumarasamy Karthikeyan
Publisher: Springer
ISBN: 8132217802
Size: 41.59 MB
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Chemoinformatics is equipped to impact our life in a big way mainly in the fields of chemical, medical and material sciences. This book is a product of several years of experience and passion for the subject written in a simple lucid style to attract the interest of the student community who wish to master chemoinformatics as a career. The topics chosen cover the entire spectrum of chemoinformatics activities (methods, data and tools). The algorithms, open source databases, tutorials supporting theory using standard datasets, guidelines, questions and do it yourself exercises will make it valuable to the academic research community. At the same time every chapter devotes a section on development of new software tools relevant for the growing pharmaceutical, fine chemicals and life sciences industry. The book is intended to assist beginners to hone their skills and also constitute an interesting reading for the experts.

Nmr Spectroscopy Explained

Author: Neil E. Jacobsen
Publisher: John Wiley & Sons
ISBN: 9780470173343
Size: 28.36 MB
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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.

Encyclopedia Of Spectroscopy And Spectrometry

Author:
Publisher: Academic Press
ISBN: 0128032251
Size: 18.37 MB
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This third edition of the Encyclopedia of Spectroscopy and Spectrometry provides authoritative and comprehensive coverage of all aspects of spectroscopy and closely related subjects that use the same fundamental principles, including mass spectrometry, imaging techniques and applications. It includes the history, theoretical background, details of instrumentation and technology, and current applications of the key areas of spectroscopy. The new edition will include over 80 new articles across the field. These will complement those from the previous edition, which have been brought up-to-date to reflect the latest trends in the field. Coverage in the third edition includes: Atomic spectroscopy Electronic spectroscopy Fundamentals in spectroscopy High-Energy spectroscopy Magnetic resonance Mass spectrometry Spatially-resolved spectroscopic analysis Vibrational, rotational and Raman spectroscopies The new edition is aimed at professional scientists seeking to familiarize themselves with particular topics quickly and easily. This major reference work continues to be clear and accessible and focus on the fundamental principles, techniques and applications of spectroscopy and spectrometry. Incorporates more than 150 color figures, 5,000 references, and 300 articles for a thorough examination of the field Highlights new research and promotes innovation in applied areas ranging from food science and forensics to biomedicine and health Presents a one-stop resource for quick access to answers and an in-depth examination of topics in the spectroscopy and spectrometry arenas

Modern Nmr Techniques For Chemistry Research

Author: A.E. Derome
Publisher: Elsevier
ISBN: 1483286428
Size: 10.97 MB
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Presents an introduction to modern NMR methods at a level suited to organic and inorganic chemists engaged in the solution of structural and mechanistic problems. The book assumes familiarity only with the simple use of proton and carbon spectra as sources of structural information and describes the advantages of pulse and Fourier transform spectroscopy which form the basis of all modern NMR experiments. Discussion of key experiments is illustrated by numerous examples of the solutions to real problems. The emphasis throughout is on the practical side of NMR and the book will be of great use to chemists engaged in both academic and industrial research who wish to realise the full possibilities of the new wave NMR.

Carbon 13 Nmr Of Flavonoids

Author: P.K. Agrawal
Publisher: Elsevier
ISBN: 1483290743
Size: 20.53 MB
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This detailed treatise is written for chemists who are not NMR spectroscopists but who wish to use carbon-13 NMR spectroscopy. It shows why measurement of carbon-13 NMR is needed and explains how the method can - or should - be used for rapid characterization of flavonoids, one of the most diverse and widespread groups of natural constituents. The first part of the book presents background information and discussion of the essential aspects of flavonoids and carbon-13 NMR spectroscopy and demonstrates its significant role in the revision of several earlier established chemical structures. It discusses various one- and two-dimensional NMR spectroscopic techniques and other relevant experimental methodologies for the interpretation of spectral details which enable individual resonance lines to be associated with the appropriate carbons in a molecule. The second part provides a comprehensive coverage of the carbon-13 chemical shifts of various classes and subclasses of flavonoids. It also illustrates how to utilize carbon-13 data to gain information for the determination of the nature, number and site of any substituent in flavonoids. Vital information for the differential and complete structure elucidation of the various classes of flavonoids by carbon-13 NMR shielding data is described in-depth in the third part of the book. The book will be welcomed by all those working in natural product chemistry who will appreciate the non-mathematical approach and the fact that such a wealth of theoretical and practical information has been assembled in a single volume.

Advanced Practical Organic Chemistry Third Edition

Author: John Leonard
Publisher: CRC Press
ISBN: 1439860971
Size: 66.95 MB
Format: PDF, ePub
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Any research that uses new organic chemicals, or ones that are not commercially available, will at some time require the synthesis of such compounds. Therefore, organic synthesis is important in many areas of both applied and academic research, from chemistry to biology, biochemistry, and materials science. The third edition of a bestseller, Advanced Practical Organic Chemistry is a guide that explains the basic techniques of organic chemistry, presenting the necessary information for readers to carry out widely used modern organic synthesis reactions. This book is written for advanced undergraduate and graduate students as well as industrial organic chemists, particularly those involved in pharmaceutical, agrochemical, and other areas of fine chemical research. It provides the novice or nonspecialist with the often difficult-to-find information on reagent properties needed to perform general techniques. With over 80 years combined experience training and developing organic research chemists in industry and academia, the authors offer sufficient guidance for researchers to perform reactions under conditions that give the highest chance of success, including the appropriate precautions to take and proper experimental protocols. The text also covers the following topics: Record keeping and equipment Solvent purification and reagent preparation Using gases and working with vacuum pumps Purification, including crystallization and distillation Small-scale and large-scale reactions Characterization, including NMR spectra, melting point and boiling point, and microanalysis Efficient ways to find information in the chemical literature With fully updated text and all newly drawn figures, the third edition provides a powerful tool for building the knowledge on the most up-to-date techniques commonly used in organic synthesis.

Nmr In Pharmaceutical Science

Author: Jeremy R. Everett
Publisher: John Wiley & Sons
ISBN: 1118660242
Size: 61.41 MB
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NMR in Pharmaceutical Sciences is intended to be a comprehensive source of information for the many individuals that utilize MR in studies of relevance to the pharmaceutical sector. The book is intended to educate and inform those who develop and apply MR approaches within the wider pharmaceutical environment, emphasizing the toolbox that is available to spectroscopists and radiologists. This book is structured on the key processes in drug discovery, development and manufacture, but underpinned by an understanding of fundamental NMR principles and the unique contribution that NMR (including MRI) can provide. After an introductory chapter, which constitutes an overview, the content is organised into five sections. The first section is on the basics of NMR theory and relevant experimental methods. The rest follow a sequence based on the chronology of drug discovery and development, firstly 'Idea to Lead' then 'Lead to Drug Candidate', followed by 'Clinical Development', and finally 'Drug Manufacture'. The thirty one chapters cover a vast range of topics from analytical chemistry, including aspects involved in regulatory matters and in the prevention of fraud, to clinical imaging studies. Whilst this comprehensive volume will be essential reading for many scientists based in pharmaceutical and related industries, it should also be of considerable value to a much wider range of academic scientists whose research is related to the various aspects of pharmaceutical R&D; for them it will supply vital understanding of pharmaceutical industrial concerns and the basis of key decision making processes. 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