NMR-based Metabolomics

NMR-based Metabolomics
Author: Hector C Keun
Publisher: Royal Society of Chemistry
Total Pages: 384
Release: 2018-01-17
Genre: Medical
ISBN: 184973643X

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.

Methodologies for Metabolomics

Methodologies for Metabolomics
Author: Norbert W. Lutz
Publisher: Cambridge University Press
Total Pages: 641
Release: 2013-01-21
Genre: Medical
ISBN: 0521765900

Metabolomics, the global characterisation of the small molecule complement involved in metabolism, has evolved into a powerful suite of approaches for understanding the global physiological and pathological processes occurring in biological organisms. The diversity of metabolites, the wide range of metabolic pathways and their divergent biological contexts require a range of methodological strategies and techniques. Methodologies for Metabolomics provides a comprehensive description of the newest methodological approaches in metabolomic research. The most important technologies used to identify and quantify metabolites, including nuclear magnetic resonance and mass spectrometry, are highlighted. The integration of these techniques with classical biological methods is also addressed. Furthermore, the book presents statistical and chemometric methods for evaluation of the resultant data. The broad spectrum of topics includes a vast variety of organisms, samples and diseases, ranging from in vivo metabolomics in humans and animals to in vitro analysis of tissue samples, cultured cells and biofluids.

Metabolic Profiling

Metabolic Profiling
Author: Georgios A. Theodoridis
Publisher: Humana
Total Pages: 291
Release: 2019-04-30
Genre: Science
ISBN: 9781493992522

This volume explores the different approaches and techniques used by researchers to study the recent challenges and developments in metabolic profiling. This book is divided into IV parts. Part I contains chapters that highlight basic concepts, such as experimental design, data treatment, metabolite identification, and harmonization. Part II describes experimental protocols for both targeted and untargeted metabolomics covering the basic analytical technologies: LC-MS, GC-MS, NMR and CE-MS. In addition the protocols describe methods for the study of tissues, feces, blood and other types of biological samples as well as the application of chemical derivatization for GC-MS. Parts III and IV present the use of metabolomics in the study of food, plants and the life sciences, with examples from the quest for the discovery of disease biomarkers, physical exercise omics and metabolic profiling of food, fruit and wine. 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. Authoritative and thorough, Metabolic Profiling: Methods and Protocols is a valuable resource for researchers who are interested in expanding their knowledge of this rapidly developing field.

Advances in Gas Chromatography

Advances in Gas Chromatography
Author: Xinghua Guo
Publisher: BoD – Books on Demand
Total Pages: 226
Release: 2014-02-26
Genre: Science
ISBN: 9535112279

For decades gas chromatography has been and will remain an irreplaceable analytical technique in many research areas for both quantitative analysis and qualitative characterization/identification, which is still supplementary with HPLC. This book highlights a few areas where significant advances have been reported recently and/or a revisit of basic concepts is deserved. It provides an overview of instrumental developments, frontline and modern research as well as practical industrial applications. The topics include GC-based metabolomics in biomedical, plant and microbial research, natural products as well as characterization of aging of synthetic materials and industrial monitoring, which are contributions of several experts from different disciplines. It also contains best hand-on practices of sample preparation (derivatization) and data processing in daily research. This book is recommended to both basic and experienced researchers in gas chromatography.

Mass Spectrometry-Based Metabolomics in Clinical and Herbal Medicines

Mass Spectrometry-Based Metabolomics in Clinical and Herbal Medicines
Author: Aihua Zhang
Publisher: John Wiley & Sons
Total Pages: 292
Release: 2021-08-20
Genre: Science
ISBN: 3527835741

Highlights the importance and benefit of mass spectrometry-based metabolomics for identifying biomarkers that accurately screen for potential biomarkers of diseases Mass spectrometry-based metabolomics offer new opportunities for biomarker discovery in complex diseases and may provide pathological understanding of diseases beyond traditional technologies. It is the systematic analysis of low-molecular-weight metabolites in biological samples and has been applied to discovering and identifying the perturbed pathways. Currently, mass spectrometry-based metabolomics has become an important tool in clinical research and the diagnosis of human disease. Mass Spectrometry-Based Metabolomics in Clinical and Herbal Medicines comprehensively presents the current state, challenges, and applications of high-throughput mass spectrometry-based metabolomics such as metabolites analysis, biomarker discovery, technical challenges, discovery of natural product, mechanism interpretation of action, discovery of active ingredients, clinical application and precision medicine, and enhancing their biomedical value in a real world of biomedicine, shedding light on the potential for spectrometry-based metabolomics. It highlights the value of mass spectrometry-based metabolomics and metabolism to address the complexity of herbal medicines in systems pharmacology, especially, to link phytochemical analysis with the assessment of pharmacological effect and therapeutic potential. Each chapter has been laid out with introduction, method, up-to-date literature, identification of biomarker, and applications Covers the current state, challenges, and applications of high-throughput mass spectrometry-based metabolomics in the discovery of biomarker, active ingredients, natural product, etc. Constitutes a unique and indispensable practical guide for any phytochemistry or related laboratory, and provides hands-on description of new techniques Provides a guide for new practitioners of pharmacologists, pharmacological scholars, drug developers, botanist, researchers of traditional medicines. Mass Spectrometry-Based Metabolomics in Clinical and Herbal Medicines provides a landmark of mass spectrometry-based metabolomics research and a beneficial guideline to graduate students and researchers in academia, industry, and technology transfer organizations in all biomedical science fields.

NMR-Based Metabolomics

NMR-Based Metabolomics
Author: G. A. Nagana Gowda
Publisher: Humana
Total Pages: 489
Release: 2020-08-29
Genre: Science
ISBN: 9781493996926

This book provides broad coverage of nuclear magnetic resonance (NMR) spectroscopy-based methods and applications for the analysis of metabolites in a wide range of biological samples, from biofluids, cells, animal models, human, to plants and foods. The applications range from mechanistic understanding, biomarker discovery, environmental studies, and drug discovery to nutrition, while NMR methods include global, targeted, and isotope tracer-based techniques. Written for the highly successful Methods in Molecular Biology series, 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. Authoritative and practical, NMR-Based Metabolomics: Methods and Protocols serves as a wealth of information for beginners as well as advanced practitioners and also as stepping stones for further advances in the field of metabolomics.

Chemometrics and Cheminformatics in Aquatic Toxicology

Chemometrics and Cheminformatics in Aquatic Toxicology
Author: Kunal Roy
Publisher: John Wiley & Sons
Total Pages: 596
Release: 2022-01-06
Genre: Science
ISBN: 1119681596

CHEMOMETRICS AND CHEMINFORMATICS IN AQUATIC TOXICOLOGY Explore chemometric and cheminformatic techniques and tools in aquatic toxicology Chemometrics and Cheminformatics in Aquatic Toxicology delivers an exploration of the existing and emerging problems of contamination of the aquatic environment through various metal and organic pollutants, including industrial chemicals, pharmaceuticals, cosmetics, biocides, nanomaterials, pesticides, surfactants, dyes, and more. The book discusses different chemometric and cheminformatic tools for non-experts and their application to the analysis and modeling of toxicity data of chemicals to various aquatic organisms. You’ll learn about a variety of aquatic toxicity databases and chemometric software tools and webservers as well as practical examples of model development, including illustrations. You’ll also find case studies and literature reports to round out your understanding of the subject. Finally, you’ll learn about tools and protocols including machine learning, data mining, and QSAR and ligand-based chemical design methods. Readers will also benefit from the inclusion of: A thorough introduction to chemometric and cheminformatic tools and techniques, including machine learning and data mining An exploration of aquatic toxicity databases, chemometric software tools, and webservers Practical examples and case studies to highlight and illustrate the concepts contained within the book A concise treatment of chemometric and cheminformatic tools and their application to the analysis and modeling of toxicity data Perfect for researchers and students in chemistry and the environmental and pharmaceutical sciences, Chemometrics and Cheminformatics in Aquatic Toxicology will also earn a place in the libraries of professionals in the chemical industry and regulators whose work involves chemometrics.

Metabolomics Tools for Natural Product Discovery

Metabolomics Tools for Natural Product Discovery
Author: Ute Roessner
Publisher: Humana
Total Pages: 0
Release: 2016-08-23
Genre: Medical
ISBN: 9781493963010

Classical natural product chemistry is transitioning to modern day metabolomics as a result of the advent of comprehensive analytical platforms and sensitive analytical instrumentation. Therefore, it is worthwhile to summarize recent developments with current analytical platforms and highlight how metabolomics is being integrated into this classical field to dereplicate and profile natural product extracts. Metabolomics Tools for Natural Product Discoveries: Methods and Protocols aims to unite diverse and recently developed methodologies and protocols in order to identify bioactive secondary metabolites for the purpose of drug discovery. Some topics covered in this volume include applications for the extraction of selected natural products from less common sources such as bryophytes and hard corals, various biological assays, comprehensive applications and strategies for GC-MS, LC-MS, and NMR, as well as protocols and strategies for the structure elucidation of isolated natural products. Written in the 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 protocols, and notes on troubleshooting and avoiding known pitfalls. Authoritative and easily accessible Metabolomics Tools for Natural Product Discoveries: Methods and Protocols seeks to serve both professionals and research students with its well-honed methodologies for natural product isolation, biomarker discovery, dereplication, biological assays, and comprehensive metabolomic platforms available for high-throughput analyses.

Protein NMR Spectroscopy

Protein NMR Spectroscopy
Author: John Cavanagh
Publisher: Elsevier
Total Pages: 915
Release: 2010-07-21
Genre: Science
ISBN: 008047103X

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

Metabonomics

Metabonomics
Author: Jacob T. Bjerrum
Publisher: Humana
Total Pages: 0
Release: 2015-02-13
Genre: Science
ISBN: 9781493923762

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.