NMR Data Processing

NMR Data Processing

Author: Jeffrey C. Hoch

Publisher: Wiley-Liss

Published: 1996-10-05

Total Pages: 230

ISBN-13: 9780471039006

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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.


Nuclear Magnetic Resonance

Nuclear Magnetic Resonance

Author: G A Webb

Publisher: Royal Society of Chemistry

Published: 2007-10-31

Total Pages: 624

ISBN-13: 1847553788

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As a spectroscopic method, Nuclear Magnetic Resonance (NMR) has seen spectacular growth over the past two decades, both as a technique and in its applications. Today the applications of NMR span a wide range of scientific disciplines, from physics to biology to medicine. Each volume of Nuclear Magnetic Resonance comprises a combination of annual and biennial reports which together provide comprehensive of the literature on this topic. This Specialist Periodical Report reflects the growing volume of published work involving NMR techniques and applications, in particular NMR of natural macromolecules which is covered in two reports: "NMR of Proteins and Acids" and "NMR of Carbohydrates, Lipids and Membranes". For those wanting to become rapidly acquainted with specific areas of NMR, this title provides unrivalled scope of coverage. Seasoned practitioners of NMR will find this an in valuable source of current methods and applications. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading authorities in the relevant subject areas, the series creates a unique service for the active research chemist, with regular, in-depth accounts of progress in particular fields of chemistry. Subject coverage within different volumes of a given title is similar and publication is on an annual or biennial basis.


Advances in Analytical Techniques for Forensic Investigation

Advances in Analytical Techniques for Forensic Investigation

Author: Priyanka Chhabra

Publisher: John Wiley & Sons

Published: 2024-08-06

Total Pages: 319

ISBN-13: 1394167326

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This book is essential for anyone seeking to understand and apply the latest analytical techniques in forensic investigation, saving time, materials, energy, and manpower by providing guidance on the most appropriate techniques for different types of investigations. Advances in Analytical Techniques for Forensic Investigation is aimed to describe the applicability of different types of analytical techniques used for the forensic investigation, including FT-IR, chromatography, mass spectroscopy, NMR spectroscopy, atomic absorption spectroscopy, UV- vis spectroscopy, etc. This book will focus on current and emerging developments in the latest analytical techniques and methods used in the forensic investigation and sample analysis of various physical, chemical, and biological samples in order to facilitate the smooth conduction of justice.


Chemical and Structural Approaches to Rational Drug Design

Chemical and Structural Approaches to Rational Drug Design

Author: David B. Weiner

Publisher: CRC Press

Published: 2020-12-18

Total Pages: 298

ISBN-13: 1000142183

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This book is the first to provide both a broad overview of the current methodologies being applied to drug design and in-depth analyses of progress in specific fields. It details state-of-the-art approaches to pharmaceutical development currently used by some of the world's foremost laboratories. The book features contributors from a variety of fields, new techniques, previously unpublished data, and extensive reference lists.


Handbook of Statistical Distributions with Applications

Handbook of Statistical Distributions with Applications

Author: K. Krishnamoorthy

Publisher: CRC Press

Published: 2016-01-05

Total Pages: 423

ISBN-13: 1498741509

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Easy-to-Use Reference and Software for Statistical Modeling and TestingHandbook of Statistical Distributions with Applications, Second Edition provides quick access to common and specialized probability distributions for modeling practical problems and performing statistical calculations. Along with many new examples and results, this edition inclu


NMR Spectroscopy in Food Analysis

NMR Spectroscopy in Food Analysis

Author: Apostolos Spyros

Publisher: Royal Society of Chemistry

Published: 2015-10-20

Total Pages: 311

ISBN-13: 1782625666

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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.


NMR-based Metabolomics

NMR-based Metabolomics

Author: Hector C Keun

Publisher: Royal Society of Chemistry

Published: 2018-01-17

Total Pages: 384

ISBN-13: 184973643X

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This book describes the state of the art in the application of NMR spectroscopy to metabolomics and will be a key title for researchers and practitioners.


Modern NMR Approaches to the Structure Elucidation of Natural Products

Modern NMR Approaches to the Structure Elucidation of Natural Products

Author: Antony Williams

Publisher: Royal Society of Chemistry

Published: 2016-12-14

Total Pages: 532

ISBN-13: 1849733937

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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.


Metabonomics

Metabonomics

Author: Jacob T. Bjerrum

Publisher: Humana

Published: 2015-02-13

Total Pages: 0

ISBN-13: 9781493923762

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This volume on metabonomics provides detailed information on the procedures involved in nuclear magnetic resonance (NMR) spectroscopy, gas chromatography-mass spectrometry (GS-MS), liquid chromatography-mass spectrometry (LC-MS), and capillary electrophoresis-mass spectrometry (CE-MS). Chapters focus on technologies and chemometrics, generation of metabonomics data, extraction of meaningful information from data, drug development, toxicology, diagnostics, and describing metabonomics as an essential part of systems biology. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls.


Data Analysis for Omic Sciences: Methods and Applications

Data Analysis for Omic Sciences: Methods and Applications

Author:

Publisher: Elsevier

Published: 2018-09-22

Total Pages: 732

ISBN-13: 0444640452

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Data Analysis for Omic Sciences: Methods and Applications, Volume 82, shows how these types of challenging datasets can be analyzed. Examples of applications in real environmental, clinical and food analysis cases help readers disseminate these approaches. Chapters of note include an Introduction to Data Analysis Relevance in the Omics Era, Omics Experimental Design and Data Acquisition, Microarrays Data, Analysis of High-Throughput RNA Sequencing Data, Analysis of High-Throughput DNA Bisulfite Sequencing Data, Data Quality Assessment in Untargeted LC-MS Metabolomic, Data Normalization and Scaling, Metabolomics Data Preprocessing, and more. - Presents the best reference book for omics data analysis - Provides a review of the latest trends in transcriptomics and metabolomics data analysis tools - Includes examples of applications in research fields, such as environmental, biomedical and food analysis