Chemometric Tools for Enhanced Performance in Liquid Chromatography-mass Spectrometry

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Publisher :
ISBN 13 : 9789155449469
Total Pages : 40 pages
Book Rating : 4.4/5 (494 download)

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Book Synopsis Chemometric Tools for Enhanced Performance in Liquid Chromatography-mass Spectrometry by : Dan Bylund

Download or read book Chemometric Tools for Enhanced Performance in Liquid Chromatography-mass Spectrometry written by Dan Bylund and published by . This book was released on 2001 with total page 40 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Chemometric Tools for Automated Method-development and Data Interpretation in Liquid Chromatography

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Publisher :
ISBN 13 : 9789464835250
Total Pages : 0 pages
Book Rating : 4.8/5 (352 download)

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Book Synopsis Chemometric Tools for Automated Method-development and Data Interpretation in Liquid Chromatography by :

Download or read book Chemometric Tools for Automated Method-development and Data Interpretation in Liquid Chromatography written by and published by . This book was released on 2023 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The thesis explores the challenges and advancements in the field of liquid chromatography (LC), particularly focusing on complex sample analysis using high-resolution mass spectrometry (MS) and two-dimensional (2D) LC techniques. The research addresses the need for efficient optimization and data-handling strategies in modern LC practice. The thesis is divided into several chapters, each addressing specific aspects of LC and polymer analysis.Chapter 2 provides an overview of the need for chemometric tools in LC practice, discussing methods for processing and analyzing data from 1D and 2D-LC systems and how chemometrics can be utilized for method development and optimization.Chapter 3 introduces a novel approach for interpreting the molecular-weight distribution and intrinsic viscosity of polymers, allowing quantitative analysis of polymer properties without prior knowledge of their interactions. This method correlates the curvature parameter of the Mark-Houwink plot with the polymer's structural and chemical properties.Chapters 4 and 5 focus on the analysis of cellulose ethers (CEs), essential in various industrial applications. A new method is presented for mapping the substitution degree and composition of CE samples, providing detailed compositional distributions. Another method involves a comprehensive 2D LC-MS/MS approach for analyzing hydroxypropyl methyl cellulose (HPMC) monomers, revealing subtle differences in composition between industrial HPMC samples.Chapter 6 introduces AutoLC, an algorithm for automated and interpretive development of 1D-LC separations. It uses retention modeling and Bayesian optimization to achieve optimal separation within a few iterations, significantly improving the efficiency of gradient LC separations.Chapter 7 focuses on the development of an open-source algorithm for automated method development in 2D-LC-MS systems. This algorithm improves separation performance by refining gradient profiles and accurately predicting peak widths, enhancing the reliability of complex gradient LC separations.Chapter 8 addresses the challenge of gradient deformation in LC instruments. An algorithm based on the stable function corrects instrument-specific gradient deformations, enabling accurate determination of analyte retention parameters and improving data comparability between different sources.Chapter 9 introduces a novel approach using capacitively-coupled-contactless-conductivity detection (C4D) to measure gradient profiles without adding tracer components. This method enhances inter-system transferability of retention models for polymers, overcoming the limitations of UV-absorbance detectable tracer components.Chapter 10 discusses practical choices and challenges faced in the thesis chapters, highlighting the need for well-defined standard samples in industrial polymer analysis and emphasizing the importance of generalized problem-solving approaches.The thesis identifies future research directions, emphasizing the importance of computational-assisted methods for polymer analysis, the utilization of online reaction modulation techniques, and exploring continuous distributions obtained through size-exclusion chromatography (SEC) in conjunction with triple detection. Chemometric tools are recognized as essential for gaining deeper insights into polymer chemistry and improving data interpretation in the field of LC.

Chemometrics and Data Analysis in Chromatography

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Publisher :
ISBN 13 : 1789238358
Total Pages : 118 pages
Book Rating : 4.7/5 (892 download)

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Book Synopsis Chemometrics and Data Analysis in Chromatography by : Vu Dang Hoang

Download or read book Chemometrics and Data Analysis in Chromatography written by Vu Dang Hoang and published by . This book was released on 2019-03-20 with total page 118 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chromatography approaches are widely used in various life science applications. Since its invention by the Russian botanist Mikhail S. Tsvet in 1901, chromatography has increasingly developed into an invaluable laboratory tool for the separation and identification of chemical components. It outperforms older techniques (such as crystallization, solvent extraction, and distillation) by offering unequaled resolving power and the possibility of lowering detection limits to below nanogram levels. To further improve chromatographic methods, however, the use of chemometrics is advisable as an economical alternative to resolve any problematic situations in analysis. This book intends to provide the readers with an up-to-date application of chemometrics and data analysis to different types of chromatographic methods.

Liquid Chromatography/Mass Spectrometry

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Publisher : Springer Science & Business Media
ISBN 13 : 148993605X
Total Pages : 310 pages
Book Rating : 4.4/5 (899 download)

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Book Synopsis Liquid Chromatography/Mass Spectrometry by : Alfred L. Yergey

Download or read book Liquid Chromatography/Mass Spectrometry written by Alfred L. Yergey and published by Springer Science & Business Media. This book was released on 2013-12-14 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is intended both to be an introduction to techniques and applications of liquid chromatography/mass spectrometry and to serve as a reference for future workers. When we undertook its writing, we chose not to cover the field, particularly applications, exhaustively. Rather we wished to produce a book that would be of use to people just beginning to use the technique as well as to more advanced practitioners. In this regard, we have sought to highlight techniques and applications that are of current importance, while not neglecting descriptions of approaches that may be of significance in the future. We hope that we have succeeded in this. At the same time we hope that the bibliography, with indexes classified by author and title, will make this book of value to those who may disagree with our emphasis. ACKNOWLEDGMENTS. One of us (C. G. E. ) wishes to acknowledge the en couragment of Professor J. A. McCloskey in undertaking this project. All four of us are grateful for the continuous and expert assistance of V. A. Edmonds in the preparation of the Bibliography. Alfred L. Y ergey Bethesda, Maryland Charles G. Edmonds Richland, Washington lvor A. S. Lewis London, England Marvin L. Vestal Houston, Texas v Contents 1. Introduction . . . . . . . . . . . . . . . . . . . . . . . . . 1 . . . . . . . . . . . 2. Direct Liquid Introduction Interfaces . . . . . . . . . . 5 . . . 2. 1. Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5 2. 2. Operating Principles . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7 2. 3. Specific DLI Interfaces . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10 2. 3. 1. Capillary Inlets . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10 2. 3. 2. Diaphragm Interfaces . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12 2. 3. 3. Nebulizing Interfaces . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

Ultra Performance Liquid Chromatography Mass Spectrometry

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Publisher : CRC Press
ISBN 13 : 1466591552
Total Pages : 464 pages
Book Rating : 4.4/5 (665 download)

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Book Synopsis Ultra Performance Liquid Chromatography Mass Spectrometry by : Mu Naushad

Download or read book Ultra Performance Liquid Chromatography Mass Spectrometry written by Mu Naushad and published by CRC Press. This book was released on 2014-03-18 with total page 464 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a unique collection of up-to-date UPLC-MS/MS (ultra performance liquid chromatography-tandem mass spectrometric) methods for the separation and quantitative determination of pesticides, capsaicinoids, heterocyclic amines, aflatoxin, perfluorochemicals, acrylamide, procyanidins and alkaloids, lactose content, phenolic compounds, vitamins, and aroma and flavor compounds in a wide variety of foods and food products. With contributions by experts in interdisciplinary fields, this reference offers practical information for readers in research and development, production, and routing analysis of foods and food products.

Chemometrics in Chromatography

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Publisher : CRC Press
ISBN 13 : 1351650440
Total Pages : 588 pages
Book Rating : 4.3/5 (516 download)

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Book Synopsis Chemometrics in Chromatography by : Łukasz Komsta

Download or read book Chemometrics in Chromatography written by Łukasz Komsta and published by CRC Press. This book was released on 2018-02-02 with total page 588 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemometrics uses advanced mathematical and statistical algorithms to provide maximum chemical information by analyzing chemical data, and obtain knowledge of chemical systems. Chemometrics significantly extends the possibilities of chromatography and with the technological advances of the personal computer and continuous development of open-source software, many laboratories are interested in incorporating chemometrics into their chromatographic methods. This book is an up-to-date reference that presents the most important information about each area of chemometrics used in chromatography, demonstrating its effective use when applied to a chromatographic separation.

Enhanced Performance in Column Liquid Chromatography with Thermospray Mass Spectrometric Detection

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Publisher :
ISBN 13 :
Total Pages : 227 pages
Book Rating : 4.:/5 (661 download)

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Book Synopsis Enhanced Performance in Column Liquid Chromatography with Thermospray Mass Spectrometric Detection by : Robert-Jan Vreeken

Download or read book Enhanced Performance in Column Liquid Chromatography with Thermospray Mass Spectrometric Detection written by Robert-Jan Vreeken and published by . This book was released on 1993 with total page 227 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Chemometrics

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Publisher : Elsevier
ISBN 13 : 0443215030
Total Pages : 565 pages
Book Rating : 4.4/5 (432 download)

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Book Synopsis Chemometrics by : Fabiano André Narciso Fernandes

Download or read book Chemometrics written by Fabiano André Narciso Fernandes and published by Elsevier. This book was released on 2024-06-28 with total page 565 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemometrics: Data Treatment and Applications demonstrates the best practices for treating real-world analytical instrument data and how to apply chemometrics to this data. Rather than focusing on the mathematical theory involved in chemometrics, this book is meant for the industrial chemist, and academics and advanced students that want to use chemometrics in practice. Case studies on several applications are presented. Unlike existing literature, this book focuses on best practices, practical realities, and challenges when treating data, rather than on the mathematical theory. It also provides basic information on chemometrics, several chapters on how to treat, and the best practices used to treat, data from different analytical instruments, as well as case studies and uses of chemometrics in different fields. The book is written primarily for analytic chemists as practitioners in analytical laboratories and other industries. It will also be useful to academics and graduate, masters and postdoc students chiefly working in analytical chemistry who want to improve the practical aspects of their research activities. Presents topical and important chapters for the most-used analytical instruments Focuses on practical issues in the implementation of chemometrics Examines advances in the application of chemometrics in several fields Includes frank perspectives on what works well for the data of a certain analytical instrument given the multiple choices of mathematical models and protocols that can be applied Covered protocols are heavily illustrated with case studies showing their potential use and the advances in chemometrics

Comprehensive Two Dimensional Gas Chromatography

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Publisher : Elsevier
ISBN 13 : 008093269X
Total Pages : 324 pages
Book Rating : 4.0/5 (89 download)

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Book Synopsis Comprehensive Two Dimensional Gas Chromatography by : Lourdes Ramos

Download or read book Comprehensive Two Dimensional Gas Chromatography written by Lourdes Ramos and published by Elsevier. This book was released on 2009-07-22 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book reviews the basic concepts and highlights the most relevant advances and developments that have taken place in the field of comprehensive two dimensional gas chromatography (GC x GC) since its introduction in 1991. The several instrumental and technical approaches assayed and developed during these seventeen years and that have contributed to the development of this powerful separation technique and to its increasing application in many areas is explained and comprehensively illustrated through a number of chapters devoted these specific topics. More specialized aspects of the technique, including theoretical aspects, modelization of the chromatographic process, software developments, and alternative couplings is also covered. Finally, special attention is paid to data treatment, for both qualitative and quantitative analysis. This book will be a practical resource that will explain from basic to specialized concepts of GC x GC and will show the current state-of-the-art and discuss future trends of this technique. Outlines basic concepts and principles of GCxGC technique for non-specialists to apply the technique to their research Provides detailed descriptions of recent technical advances and serves as an instructional guide in latest applications in GCxGC Sets the scene for possible future development and alternative new applications of technique

High Performance Liquid Chromatography and Mass Spectrometry

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ISBN 13 : 9781645320579
Total Pages : pages
Book Rating : 4.3/5 (25 download)

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Book Synopsis High Performance Liquid Chromatography and Mass Spectrometry by : William Kerr

Download or read book High Performance Liquid Chromatography and Mass Spectrometry written by William Kerr and published by . This book was released on 2019-08-23 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: High-performance liquid chromatography (HPLC), also known as high-pressure liquid chromatography, is an advanced type of LC. HPLC is amenable to a wide range of applications, such as pharmaceuticals and food analysis. It is especially useful for low or non-volatile organic compounds, which cannot be handled with gas chromatography. Liquid chromatography-mass spectrometry (LC-MS) is an analytical chemistry technique that combines the physical separation capabilities of liquid chromatography (or HPLC) with the mass analysis capabilities of mass spectrometry (MS). Coupled chromatography - MS systems are popular in chemical analysis because the individual capabilities of each technique are enhanced synergistically. While liquid chromatography separates mixtures with multiple components, mass spectrometry provides structural identity of the individual components with high molecular specificity and detection sensitivity. This tandem technique can be used to analyze biochemical, organic, and inorganic compounds commonly found in complex samples of environmental and biological origin. Therefore, LC-MS may be applied in a wide range of sectors including biotechnology, environment monitoring, food processing, and pharmaceutical, agrochemical, and cosmetic industries. Mass spectrometry (MS) is an analytical technique that measures the mass-to-charge ratio (m/z) of charged particles (ions). Although there are many different kinds of mass spectrometers, all of them make use of electric or magnetic fields to manipulate the motion of ions produced from an analyze of interest and determine their m/z. The book has primarily been designed for analysts who are unfamiliar with this technique or have limited training and experience in this or have constraints in finding a suitable HPLC method. The book presents a comprehensive compilation of reviews, opinions and applications of the use of Mass Spectrometry to analyze biomolecules.

Liquid Chromatography Time-of-Flight Mass Spectrometry

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Publisher : Wiley-Interscience
ISBN 13 : 047042995X
Total Pages : 304 pages
Book Rating : 4.4/5 (74 download)

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Book Synopsis Liquid Chromatography Time-of-Flight Mass Spectrometry by : Imma Ferrer

Download or read book Liquid Chromatography Time-of-Flight Mass Spectrometry written by Imma Ferrer and published by Wiley-Interscience. This book was released on 2009-05-06 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: Time of flight mass spectrometry identifies the elements of a compound by subjecting a sample of ions to a strong electrical field. Illuminating emerging analytical techniques in high-resolution mass spectrometry, Liquid Chromatography Time-of-Flight Mass Spectrometry shows readers how to analyze unknown and emerging contaminants—such as antibiotics, steroids, analgesics—using advanced mass spectrometry techniques. The text combines theoretical discussion with concrete examples, making it suitable for analytical chemists, environmental chemists, organic chemists, medicinal chemists, university research chemists, and graduate and post-doctorate students.

Liquid Chromatography

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Publisher : CRC Press
ISBN 13 : 9780824719364
Total Pages : 654 pages
Book Rating : 4.7/5 (193 download)

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Book Synopsis Liquid Chromatography by : Wilfried M.A. Niessen

Download or read book Liquid Chromatography written by Wilfried M.A. Niessen and published by CRC Press. This book was released on 1998-09-01 with total page 654 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume comprehensively relates developments, principles, and applications of combined liquid chromatography-mass spectrometry and other techniques such as capillary electrophoresis and supercritical fluid chromatography combined with mass spectrometry. It covers historical developments, currently important interfaces and technologies, and LC-MS applications in environmental analysis, pharmaceuticals and bioanalysis, and additional fields. It offers in-depth coverage of interfaces and technologies currently important in the laboratory, especially electrospray and APCI, contains an expanded applications section, and provides over 2200 references, tables, equations, and drawings.

Liquid Chromatography Coupled to Mass Spectrometry

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Publisher :
ISBN 13 : 9789155466121
Total Pages : 64 pages
Book Rating : 4.4/5 (661 download)

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Book Synopsis Liquid Chromatography Coupled to Mass Spectrometry by : My Moberg

Download or read book Liquid Chromatography Coupled to Mass Spectrometry written by My Moberg and published by . This book was released on 2006 with total page 64 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Liquid Chromatography - Mass Spectrometry

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Publisher : Wiley
ISBN 13 : 0470862173
Total Pages : 296 pages
Book Rating : 4.4/5 (78 download)

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Book Synopsis Liquid Chromatography - Mass Spectrometry by : Robert E. Ardrey

Download or read book Liquid Chromatography - Mass Spectrometry written by Robert E. Ardrey and published by Wiley. This book was released on 2003-07-25 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: First explaining the basic principles of liquid chromatography and mass spectrometry and then discussing the current applications and practical benefits of LC-MS, along with descriptions of the basic instrumentation, this title will prove to be the indispensable reference source for everyone wishing to use this increasingly important tandem technique. * First book to concentrate on principles of LC-MS * Explains principles of mass spectrometry and chromatography before moving on to LC-MS * Describes instrumental aspects of LC-MS * Discusses current applications of LC-MS and shows benefits of using this technique in practice

Advances in Food Authenticity Testing

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Publisher : Woodhead Publishing
ISBN 13 : 0081002335
Total Pages : 812 pages
Book Rating : 4.0/5 (81 download)

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Book Synopsis Advances in Food Authenticity Testing by : Gerard Downey

Download or read book Advances in Food Authenticity Testing written by Gerard Downey and published by Woodhead Publishing. This book was released on 2016-08-08 with total page 812 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Food Authenticity Testing covers a topic that is of great importance to both the food industry whose responsibility it is to provide clear and accurate labeling of their products and maintain food safety and the government agencies and organizations that are tasked with the verification of claims of food authenticity. The adulteration of foods with cheaper alternatives has a long history, but the analytical techniques which can be implemented to test for these are ever advancing. The book covers the wide range of methods and techniques utilized in the testing of food authenticity, including new implementations and processes. The first part of the book examines, in detail, the scientific basis and the process of how these techniques are used, while other sections highlight specific examples of the use of these techniques in the testing of various foods. Written by experts in both academia and industry, the book provides the most up-to-date and comprehensive coverage of this important and rapidly progressing field. Covers a topic that is of great importance to both the food industry and the governmental agencies tasked with verifying the safety and authenticity of food products Presents a wide range of methods and techniques utilized in the testing of food authenticity, including new implementations and processes Highlights specific examples of the use of the emerging techniques and testing strategies for various foods

Comprehensive Foodomics

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Publisher : Elsevier
ISBN 13 : 0128163968
Total Pages : 2444 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Comprehensive Foodomics by :

Download or read book Comprehensive Foodomics written by and published by Elsevier. This book was released on 2020-11-12 with total page 2444 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprehensive Foodomics, Three Volume Set offers a definitive collection of over 150 articles that provide researchers with innovative answers to crucial questions relating to food quality, safety and its vital and complex links to our health. Topics covered include transcriptomics, proteomics, metabolomics, genomics, green foodomics, epigenetics and noncoding RNA, food safety, food bioactivity and health, food quality and traceability, data treatment and systems biology. Logically structured into 10 focused sections, each article is authored by world leading scientists who cover the whole breadth of Omics and related technologies, including the latest advances and applications. By bringing all this information together in an easily navigable reference, food scientists and nutritionists in both academia and industry will find it the perfect, modern day compendium for frequent reference. List of sections and Section Editors: Genomics - Olivia McAuliffe, Dept of Food Biosciences, Moorepark, Fermoy, Co. Cork, Ireland Epigenetics & Noncoding RNA - Juan Cui, Department of Computer Science & Engineering, University of Nebraska-Lincoln, Lincoln, NE Transcriptomics - Robert Henry, Queensland Alliance for Agriculture and Food Innovation, The University of Queensland, St Lucia, Australia Proteomics - Jens Brockmeyer, Institute of Biochemistry and Technical Biochemistry, University Stuttgart, Germany Metabolomics - Philippe Schmitt-Kopplin, Research Unit Analytical BioGeoChemistry, Neuherberg, Germany Omics data treatment, System Biology and Foodomics - Carlos Leon Canseco, Visiting Professor, Biomedical Engineering, Universidad Carlos III de Madrid Green Foodomics - Elena Ibanez, Foodomics Lab, CIAL, CSIC, Madrid, Spain Food safety and Foodomics - Djuro Josic, Professor Medicine (Research) Warren Alpert Medical School, Brown University, Providence, RI, USA & Sandra Kraljevic Pavelic, University of Rijeka, Department of Biotechnology, Rijeka, Croatia Food Quality, Traceability and Foodomics - Daniel Cozzolino, Centre for Nutrition and Food Sciences, The University of Queensland, Queensland, Australia Food Bioactivity, Health and Foodomics - Miguel Herrero, Department of Bioactivity and Food Analysis, Foodomics Lab, CIAL, CSIC, Madrid, Spain Brings all relevant foodomics information together in one place, offering readers a ‘one-stop,’ comprehensive resource for access to a wealth of information Includes articles written by academics and practitioners from various fields and regions Provides an ideal resource for students, researchers and professionals who need to find relevant information quickly and easily Includes content from high quality authors from across the globe

Medical Applications of Mass Spectrometry

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Publisher : Elsevier
ISBN 13 : 0080554652
Total Pages : 607 pages
Book Rating : 4.0/5 (85 download)

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Book Synopsis Medical Applications of Mass Spectrometry by : Karoly Vekey

Download or read book Medical Applications of Mass Spectrometry written by Karoly Vekey and published by Elsevier. This book was released on 2011-08-11 with total page 607 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mass spectrometry is fast becoming an indispensable field for medical professionals. The mass spectrometric analysis of metabolites and proteins promises to revolutionize medical research and clinical diagnostics. As this technology rapidly enters the medical field, practicing professionals and students need to prepare to take full advantage of its capabilities. Medical Applications of Mass Spectrometry addresses the key issues in the medical applications of mass spectrometry at the level appropriate for the intended readership. It will go a long way to help the utilization of mass spectrometry in medicine.The book comprises five parts. A general overview is followed by a description of the basic sampling and separation methods in analytical chemistry. In the second part a solid foundation in mass spectrometry and modern techniques of data analysis is presented. The third part explains how mass spectrometry is used in exploring various classes of biomolecules, including proteins and lipids. In the fourth section mass spectrometry is introduced as a diagnostic tool in clinical treatment, infectious pathogen research, neonatal diagnostics, cancer, brain and allergy research, as well as in various fields of medicine: cardiology, pulmonology, neurology, psychiatric diseases, hemato-oncology, urologic diseases, gastrointestinal diseases, gynecology and pediatrics. The fifth part covers emerging applications in biomarker discovery and in mass spectrometric imaging. * Provides a broad look at how the medical field is benefiting from advances in mass spectrometry.* Guides the reader from basic principles and methods to cutting edge applications.* There is NO comparable book on the market to fill this fast growing field.