Download or read book NMR Data Processing written by Jeffrey C. Hoch and published by Wiley-Liss. This book was released on 1996-10-05 with total page 230 pages. Available in PDF, EPUB and Kindle. Book excerpt: NMR DATA PROCESSING Jeffrey C. Hoch and Alan S. Stern Nuclear Magnetic Resonance (NMR) spectroscopy is a powerful nondestructive technique for exploring the structure of matter. In recent years, NMR instrumentation has become increasingly sophisticated, and the software used to acquire and process NMR data continues to expand in scope and complexity. This software has always been difficult to understand, and, until now, it seemed likely to remain that way. NMR Data Processing examines and explains the techniques used to process, present, and analyze NMR data. It provides a complete account of the fundamentals of spectrum analysis and establishes a framework for applying those fundamentals to real NMR data. It also details, in clear and concise language, the basic principles underlying the complex software needed to analyze the data. Two chapters are devoted to the fundamentals and applications of discrete Fourier transform (DFT) in NMR, which was crucial to the development of modern NMR spectroscopy. A large part of the book focuses on increasingly important non-DFT methods, which obtain higher sensitivity and resolution. Other topics covered include: * Data formats * Processing for multidimensional experiments * Parametric modeling of NMR signals * Standard techniques-apodization, zero-filling, the Hilbert transform * Artifacts-aliasing, leakage, solvent signals * Advanced processing techniques-LP, MaxEnt, Bayesian analysis Jeffrey C. Hoch and Alan S. Stern conclude their in-depth look at this rapidly growing field by exploring methods for analyzing processed data, including visualization, quantification, and error analysis. Readers are provided with a solid foundation for developing new methods of their own. NMR Data Processing is an important tool for students learning basic principles for the first time, technicians troubleshooting data processing problems, and professional researchers developing new techniques. It will help all NMR users acquire a true grasp of the methods behind the process, avoid the pitfalls of misapplication and misinterpretation, and exploit the full power of NMR software.
Download or read book Fast NMR Data Acquisition written by Mehdi Mobli and published by Royal Society of Chemistry. This book was released on 2017-05-23 with total page 325 pages. Available in PDF, EPUB and Kindle. Book excerpt: Providing a definitive reference source on novel methods in NMR acquisition and processing, this book will highlight similarities and differences between emerging approaches and focus on identifying which methods are best suited for different applications. The highly qualified editors have conducted extensive research into the fundamentals of fast methods of data acquisition in NMR, including applications of non-Fourier methods of spectrum analysis. With contributions from additional distinguished experts in allied fields, clear explanations are provided on methods that speed up NMR experiments using different ways to manipulate the nuclei in the sample, modern methods for estimating the spectrum from the time domain response recorded during an NMR experiment, and finally how the data is sampled. Starting with a historical overview of Fourier Transformation and its role in modern NMR spectroscopy, this volume will clarify and demystify this important emerging field for spectroscopists and analytical chemists in industry and academia.
Download or read book NMR Spectroscopy Data Acquisition written by Christian Schorn and published by John Wiley & Sons. This book was released on 2001 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: The key to correct structure analysis. This volume of the successful "Spectroscopic Techniques" series familiarizes newcomers with the basic data acquisition procedures, modular pulse sequence units and complete sequences in NMR spectroscopy. It applies the numerous possibilities of Bruker's simulation program NMR-SIM to provide a guided introduction to the world of pulse sequences. The effectiveness of particular NMR experiments is demonstrated by the section "Check Its" and that of data processing by the accompanying CD-ROM with the Bruker processing software 1D and 2D WIN-NMR. This interactive approach to simulate spectra based on a reduced spin system and the processing of the accomplished NMR raw data is closely related to everyday work at the spectrometer. In this way, the author encourages beginners to use high resolution NMR, and also experts on NMR spectroscopy to evaluate new experiments using the easy-manageable simulation program.
Download or read book NMR Spectroscopy Processing Strategies written by Peter Bigler and published by Wiley-VCH. This book was released on 1997-05-15 with total page 280 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Entrance to Practical NMR Spectroscopy This interactive tutorial is designed to introduce newcomers to the crucial and central step of NMR data processing. It enables and encourages you to process measured data according to your own special needs and ideas, rather than having to rely on automatic processing or specialist help. You are shown how to transform NMR data into 1D or 2D spectra in easy steps. Various processing strategies are explained, the necessary theoretical background presented, and practical hints, examples, exercises and problems are all included. The accompanying CD-ROM provides a comprehensive NMR data base and powerful software tools, based on WIN-NMR software designed by Bruker, which enable you to make best use of your NMR data. It is the interactive approach of using text, software and the appropriate sets of data that makes this a unique book on NMR spectroscopy.
Download or read book Signal Treatment and Signal Analysis in NMR written by D.N. Rutledge and published by Elsevier. This book was released on 1996-06-10 with total page 547 pages. Available in PDF, EPUB and Kindle. Book excerpt: Signal analysis and signal treatment are integral parts of all types of Nuclear Magnetic Resonance. In the last ten years, much has been achieved in the development of dimensional spectra. At the same time new NMR techniques such as NMR Imaging and multidimensional spectroscopy have appeared, requiring entirely new methods of signal analysis. Up until now, most NMR texts and reference books limited their presentation of signal processing to a short introduction to the principles of the Fourier Transform, signal convolution, apodisation and noise reduction. To understand the mathematics of the newer signal processing techniques, it was necessary to go back to the primary references in NMR, chemometrics and mathematics journals. The objective of this book is to fill this void by presenting, in a single volume, both the theory and applications of most of these new techniques to Time-Domain, Frequency-Domain and Space-Domain NMR signals. Details are provided on many of the algorithms used and a companion CD-ROM is also included which contains some of the computer programs, either as source code or in executable form. Although it is aimed primarily at NMR users in the medical, industrial and academic fields, it should also interest chemometricians and programmers working with other techniques.
Download or read book NMR Spectroscopy in Food Analysis written by Apostolos Spyros and published by Royal Society of Chemistry. This book was released on 2015-10-20 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: During the last two decades, the use of NMR spectroscopy for the characterization and analysis of food materials has flourished, and this trend continues to increase today. Currently, there exists no book that fulfils specifically the needs of food scientists that are interested in adding or expanding the use of NMR spectroscopy in their arsenal of food analysis techniques. Current books and monographs are rather addressed to experienced researchers in food analysis providing new information in the field. This book, written by acknowledged experts in the field, fills the gap by offering a day to day NMR guide for the food scientist, affording not only the basic theoretical aspects of NMR spectroscopy, but also practical information on sample preparation, experimental conditions and data analysis. Current developments in the field covered in this book are the availability of solid state NMR experiments such as CP/MAS and more importantly HR-MAS NMR for the analysis of semisolid foods, and the increasing use of chemometrics to analyze NMR data in food metabonomics. Moreover, this book contains an up to date discussion of MRI in food analysis including topics such as food processing and natural changes in food such as ripening. The book is a compact and complete source of information for food scientists who wish to apply methodologies based on NMR spectroscopy in food analysis. It contains information so far scattered in the primary literature, in NMR treatises and food analysis books, in a concise format that makes it appealing to food scientists who have no or minimal experience in magnetic resonance techniques. The inclusion of practical information about NMR instrumentation, experiment setup, acquisition and spectral analysis for the study of different food categories make this book a hands-on manual for food scientists wishing to implement novel NMR spectroscopy-based analytical techniques in their field.
Download or read book NMR Data Interpretation Explained written by Neil E. Jacobsen and published by John Wiley & Sons. This book was released on 2016-10-21 with total page 648 pages. Available in PDF, EPUB and Kindle. Book excerpt: Through numerous examples, the principles of the relationship between chemical structure and the NMR spectrum are developed in a logical, step-by-step fashion Includes examples and exercises based on real NMR data including full 600 MHz one- and two-dimensional datasets of sugars, peptides, steroids and natural products Includes detailed solutions and explanations in the text for the numerous examples and problems and also provides large, very detailed and annotated sets of NMR data for use in understanding the material Describes both simple aspects of solution-state NMR of small molecules as well as more complex topics not usually covered in NMR books such as complex splitting patterns, weak long-range couplings, spreadsheet analysis of strong coupling patterns and resonance structure analysis for prediction of chemical shifts Advanced topics include all of the common two-dimensional experiments (COSY, ROESY, NOESY, TOCSY, HSQC, HMBC) covered strictly from the point of view of data interpretation, along with tips for parameter settings
Download or read book Data Processing Handbook for Complex Biological Data Sources written by Gauri Misra and published by Academic Press. This book was released on 2019-03-23 with total page 188 pages. Available in PDF, EPUB and Kindle. Book excerpt: Data Processing Handbook for Complex Biological Data provides relevant and to the point content for those who need to understand the different types of biological data and the techniques to process and interpret them. The book includes feedback the editor received from students studying at both undergraduate and graduate levels, and from her peers. In order to succeed in data processing for biological data sources, it is necessary to master the type of data and general methods and tools for modern data processing. For instance, many labs follow the path of interdisciplinary studies and get their data validated by several methods. Researchers at those labs may not perform all the techniques themselves, but either in collaboration or through outsourcing, they make use of a range of them, because, in the absence of cross validation using different techniques, the chances for acceptance of an article for publication in high profile journals is weakened. Explains how to interpret enormous amounts of data generated using several experimental approaches in simple terms, thus relating biology and physics at the atomic level Presents sample data files and explains the usage of equations and web servers cited in research articles to extract useful information from their own biological data Discusses, in detail, raw data files, data processing strategies, and the web based sources relevant for data processing
Download or read book In Vivo NMR Spectroscopy written by Robin A. de Graaf and published by John Wiley & Sons. This book was released on 2019-03-11 with total page 584 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book NMR Case Studies written by Jeffrey H Simpson and published by Elsevier. This book was released on 2017-09-19 with total page 234 pages. Available in PDF, EPUB and Kindle. Book excerpt: NMR Case Studies: Data Analysis of Complicated Molecules provides a detailed discussion of the full logical flow associated with assigning the NMR spectra of complex molecules, also helping readers further develop their NMR spectral assignment skills. The robust case studies present the logic of each assignment, from beginning to end, fully exploring the available range of potential solutions. Readers will gain a better appreciation of various approaches and develop an intuitive sense for when this particular concept should be implemented, thus enhancing their skillsets and providing a host of methodologies potentially amenable to yielding correct assignments. Authored by a scientist with more than 20 years of experience in research and instruction, this book is the ideal reference for anyone in search of application-based content. The book addresses complicated molecules, including corticosteroids, biomolecules, polypeptides, and secondary metabolites. Features the nuclear magnetic resonance (NMR) spectra of a number of large and interesting molecules, ranging from corticosteroids, to secondary metabolites and large synthetically prepared molecules Uses case studies to pair the spectral signals from the various sites of each molecule to their molecular counterparts in a process called assignment Includes complex NMR problems, aiding readers in the development of NMR spectral assignment skills Features input from a leading scientist with over 20 years of research and instruction experience in the field
Download or read book Fundamentals of Protein NMR Spectroscopy written by Gordon S. Rule and published by Springer Science & Business Media. This book was released on 2006-02-16 with total page 543 pages. Available in PDF, EPUB and Kindle. Book excerpt: NMR spectroscopy has proven to be a powerful technique to study the structure and dynamics of biological macromolecules. Fundamentals of Protein NMR Spectroscopy is a comprehensive textbook that guides the reader from a basic understanding of the phenomenological properties of magnetic resonance to the application and interpretation of modern multi-dimensional NMR experiments on 15N/13C-labeled proteins. Beginning with elementary quantum mechanics, a set of practical rules is presented and used to describe many commonly employed multi-dimensional, multi-nuclear NMR pulse sequences. A modular analysis of NMR pulse sequence building blocks also provides a basis for understanding and developing novel pulse programs. This text not only covers topics from chemical shift assignment to protein structure refinement, as well as the analysis of protein dynamics and chemical kinetics, but also provides a practical guide to many aspects of modern spectrometer hardware, sample preparation, experimental set-up, and data processing. End of chapter exercises are included to emphasize important concepts. Fundamentals of Protein NMR Spectroscopy not only offer students a systematic, in-depth, understanding of modern NMR spectroscopy and its application to biomolecular systems, but will also be a useful reference for the experienced investigator.
Download or read book Modern NMR Approaches to the Structure Elucidation of Natural Products written by Antony Williams and published by Royal Society of Chemistry. This book was released on 2016-12-14 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Ghanian plant Cryptolepis sanguinolenta is the source of a series of fascinating indoloquinoline alkaloids. The most unusual member of this alkaloid series was initially proposed to be a spiro nonacyclic structure, named cryptospirolepine, and was elucidated in 1993 based on the technologies available at that time. There were, however, several annoying attributes to the structure that bothered analysts for the ensuing 22 years. During the two decades that followed the initial work there have been enormous developments in NMR technology. Using new experimental approaches, specifically homodecoupled 1,1- and 1,n-HD-ADEQUATE NMR experiments developed in 2014, the structure of only a 700 µg sample of cryptospirolepine has been revised and is shown on the cover of this volume. The confluence of the NMR technological and methodological advances that allowed the revision of the structure of cryptospirolepine using a submilligram sample seems a fitting example for this book, which is dedicated to the NMR characterization of various classes of natural products. Volume 2 considers data processing and algorithmic based analyses tailored to natural product structure elucidation and reviews the application of NMR to the analysis of a series of different natural product families including marine natural products, terpenes, steroids, alkaloids and carbohydrates. Volume 1 discusses contemporary NMR approaches including optimized and future hardware and experimental approaches to obtain both the highest quality and most appropriate spectral data for analysis. These books, bringing together acknowledged experts, uniquely focus on the combination of experimental approaches and modern hardware and software applied to the structure elucidation 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 characterization of impurities and degradation products of pharmaceuticals that can be as scarce as natural product samples.
Download or read book Compact NMR written by Bernhard Blümich and published by Walter de Gruyter GmbH & Co KG. This book was released on 2014-08-22 with total page 305 pages. Available in PDF, EPUB and Kindle. Book excerpt: The goal of this book is to provide an introduction to the practical use of mobile NMR at a level as basic as the operation of a smart phone. Each description follows the same didactic pattern: introduction, basic theory, pulse sequences and parameters, beginners-level measurements, advanced-level measurements, and data processing. Nuclear Magnetic Resonance (NMR) spectroscopy is the most popular method for chemists to analyze molecular structures while Magnetic Resonance Imaging (MRI) is a non-invasive diagnostic tool for medical doctors that provides high-contrast images of biological tissue depicting the brain function and the beating heart. In both applications large super-conducting magnets are employed which magnetize atomic nuclei of an object positioned inside the magnet. Their circulating motion is interrogated by radio-frequency waves. Depending on the operating mode, the frequency spectrum provides the chemist with molecular information, the medical doctor with anatomic images, while the materials scientist is interested in NMR relaxation parameters, which scale with material properties and determine the contrast in magnetic resonance images. Recent advances in magnet technology led to a variety of small permanent magnets, by which NMR spectra, images, and relaxation parameters can be measured with mobile and low-cost instruments.
Download or read book Fast 2D Solution state NMR written by Dr Jean-Nicolas Dumez and published by Royal Society of Chemistry. This book was released on 2023-05-17 with total page 560 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by active investigators in the field, this book describes state-of-the-art methods that can accelerate the acquisition of 2D NMR spectra in solution-state NMR. The acquisition of fast multi-dimensional NMR data has motivated numerous ground-breaking developments in NMR pulse sequences and associated data processing methods. These in turn have revolutionized the way 2D NMR acquisitions are performed, at the same time broadening the scope of applications of 2D NMR. The first part of the book provides an in-depth description of the concepts and implementation of major fast 2D NMR methods. The second part follows with illustrations of how such methods can be used in applications that require the acquisition of fast 2D NMR spectra, from reaction monitoring to hyperpolarization, including applications to a broad variety of samples and experimental conditions. Appealing to readers from both the methodology and applications communities, this title will fill a gap in the market for a book focused on small molecule NMR, and researchers from both academia and industry will find a rich plethora of knowledge.
Download or read book Computer Assistance in the Analysis of High Resolution NMR Spectra written by P. Diehl and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 101 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nuclear magnetic resonance spectroscopy, which has evolved only within the last 20 years, has become one of the very important tools in chemistry and physics. The literature on its theory and application has grown immensely and a comprehensive and adequate treatment ofall branches by one author, or even by several, becomes increasingly difficult. by experts workinginvarious This seriesis planned to present articles written fields of nuclear magnetic resonance spectroscopy, and will contain review articles as well as progress reports and original work. Its main aim, however, is to fill a gap, existing in literature, by publishing articles written by specialists, which take the reader from the introductory stage to the latest development in the field. The editors are grateful to the authors for the time and effort spent in writing the articles, and for their invaluable cooperation. The Editors Computer Assistance in the Analysis of High-Resolution NMR Spectra P. DIEHL and H. KELLERHALS Departmentof Physics, University ofBasle, Switzerland E. LUSTIG Food and Drug Administration, Washington, D.C., U.S.A.
Download or read book In Vivo Magnetic Resonance Spectroscopy I Probeheads and Radiofrequency Pulses Spectrum Analysis written by M. Rudin and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 288 pages. Available in PDF, EPUB and Kindle. Book excerpt: RF Probeheads 1. J. Link, Faellanden, Switzerland The Design of Resonator Probes with Homogeneous Radiofrequency Fields 2. M. Schnall, Philadelphia, PA/USA Probes Tuned to Multiple Frequencies for In-Vivo NMR RF Pulses 3. P.C.M. van Zijl, Rockville, MD/USA; C.T.W. Moonen, Bethesda, MD/USA Solvent Suppression Strategies for In Vivo Magnetic Resonance Spectroscopy 4. M. Garwood, K. Ugurbil, Minneapolis, MN/USA B1 Insensitive Adiabatic RF Pulses 5. P.G. Morris, Nottingham, UK Frequency Selective Excitation Using Phase-Compensated RF Pulses in One andTwo Dimensions 6. S. Mueller, Basel, Switzerland RF Pulses for MultipleFrequency Excitation: Theory and Application Spectrum Analysis 7. R. de Beer, D. van Ormondt, Delft, The Nethelands Analysis of NMR Data Using Time Domain Fitting Procedures 8. E.B. Cady, London, UK Determination of Absolute Concentrations of Metabolites from NMR Spectra.
Download or read book Understanding NMR Spectroscopy written by James Keeler and published by John Wiley & Sons. This book was released on 2011-09-19 with total page 533 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
