Download or read book Algorithms for Interpretation of MS MS Data for Chemical Structure Elucidation written by Peter T. Palmer and published by . This book was released on 1988 with total page 558 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Interpretation of MS MS Mass Spectra of Drugs and Pesticides written by Wilfried M. A. Niessen and published by John Wiley & Sons. This book was released on 2017-01-30 with total page 421 pages. Available in PDF, EPUB and Kindle. Book excerpt: Provides comprehensive coverage of the interpretation of LC–MS–MS mass spectra of 1300 drugs and pesticides Provides a general discussion on the fragmentation of even-electron ions (protonated and deprotonated molecules) in both positive-ion and negative-ion modes This is the reference book for the interpretation of MS–MS mass spectra of small organic molecules Covers related therapeutic classes of compounds such as drugs for cardiovascular diseases, psychotropic compounds, drugs of abuse and designer drugs, antimicrobials, among many others Covers general fragmentation rule as well as specific fragmentation pathways for many chemical functional groups Gives an introduction to MS technology, mass spectral terminology, information contained in mass spectra, and to the identification strategies used for different types of unknowns
Download or read book Handbook of Chemoinformatics Algorithms written by Jean-Loup Faulon and published by CRC Press. This book was released on 2010-04-21 with total page 454 pages. Available in PDF, EPUB and Kindle. Book excerpt: Unlike in the related area of bioinformatics, few books currently exist that document the techniques, tools, and algorithms of chemoinformatics. Bringing together worldwide experts in the field, the Handbook of Chemoinformatics Algorithms provides an overview of the most common chemoinformatics algorithms in a single source.After a historical persp
Download or read book Introduction to Mass Spectrometry written by J. Throck Watson and published by John Wiley & Sons. This book was released on 2013-07-09 with total page 972 pages. Available in PDF, EPUB and Kindle. Book excerpt: Completely revised and updated, this text provides an easy-to-read guide to the concept of mass spectrometry and demonstrates its potential and limitations. Written by internationally recognised experts and utilising "real life" examples of analyses and applications, the book presents real cases of qualitative and quantitative applications of mass spectrometry. Unlike other mass spectrometry texts, this comprehensive reference provides systematic descriptions of the various types of mass analysers and ionisation, along with corresponding strategies for interpretation of data. The book concludes with a comprehensive 3000 references. This multi-disciplined text covers the fundamentals as well as recent advance in this topic, providing need-to-know information for researchers in many disciplines including pharmaceutical, environmental and biomedical analysis who are utilizing mass spectrometry
Download or read book Mass Spectrometry written by Jürgen H Gross and published by Springer Science & Business Media. This book was released on 2006-04-05 with total page 534 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mass Spectrometry is an ideal textbook for students and professionals as well as newcomers to the field. Starting from the very first principles of gas-phase ion chemistry and isotopic properties, the textbook takes the reader through the design of mass analyzers and ionization methods all the way to mass spectral interpretation and coupling techniques. Step-by-step, the reader learns how mass spectrometry works and what it can do. The book comprises a balanced mixture of practice-oriented information and theoretical background. It features a clear layout and a wealth of high-quality figures. Exercises and solutions are located on the Springer Global Web.
Download or read book Tables of Spectral Data for Structure Determination of Organic Compounds written by Ernö Pretsch and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 325 pages. Available in PDF, EPUB and Kindle. Book excerpt: Although numerical data are, in principle, universal, the compilations presented in this book are extensively annotated and interleaved with text. This translation of the second German edition has been prepared to facilitate the use of this work, with all its valuable detail, by the large community of English-speaking scientists. Translation has also provided an opportunity to correct and revise the text, and to update the nomenclature. Fortunately, spectroscopic data and their relationship with structure do not change much with time so one can predict that this book will, for a long period of time, continue to be very useful to organic chemists involved in the identification of organic compounds or the elucidation of their structure. Klaus Biemann Cambridge, MA, April 1983 Preface to the First German Edition Making use of the information provided by various spectroscopic tech niques has become a matter of routine for the analytically oriented organic chemist. Those who have graduated recently received extensive training in these techniques as part of the curriculum while their older colleagues learned to use these methods by necessity. One can, therefore, assume that chemists are well versed in the proper choice of the methods suitable for the solution of a particular problem and to translate the experimental data into structural information.
Download or read book Practical Bioinformatics written by Janusz M. Bujnicki and published by Springer Science & Business Media. This book was released on 2004-03-03 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: Bridges the gap between bioinformaticists and molecular biologists, i.e. the developers and the users of computational methods for biological data analysis and in that it presents examples of practical applications of the bioinformatics tools in the "daily practice" of an experimental research scientist.
Download or read book A Handbook of Derivatives for Mass Spectrometry written by Vladimir Zaikin and published by IM Publications. This book was released on 2009 with total page 545 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical derivatisation of functional groups has proved popular since the beginning of organic mass spectrometry as a means to enhance the stability and volatility of the analytes as well as facilitating structure elucidation. This book provides comprehensive information on the wide range of derivatisation methods. Each chapter looks at a particular area of derivatisation and includes extensive references to the literature for further research where necessary. There are nearly 1800 references, which, as well as full bibliographic information, include chapter/paper titles where appropriate and Digital Object Identifiers (DOIs) to allow easy retrieval of the online version of the referenced publication. The emergence of atmospheric pressure ionisation and other soft ionisation techniques has not diminished the interest in such chemical techniques, as witnessed by the many chemical tags used in quantitative proteomics (Chapter 9). The last two chapters, a substantial part of the book, deal with derivatisation for use with soft ionisation of both small and large molecules. Chapters Silylation Acylation Alkylation (Arylation) Cyclic derivatives Monofunctional compounds Polyfunctional compounds On-line derivatisation/degradation Soft ionisation—small molecules Soft ionisation—large molecules
Download or read book Contemporary Computer Assisted Approaches to Molecular Structure Elucidation written by Mikhail E Elyashberg and published by Royal Society of Chemistry. This book was released on 2015-11-09 with total page 505 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computer-Assisted Structure Elucidation (CASE) systems are a combination of software algorithms and tools to support and enable chemists and spectroscopists engaged in the process of molecular structure elucidation via the analysis of spectroscopic data. These expert systems dramatically reduce the time associated with structure elucidation and improve the reliability of the results. Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation describes the principles on which these expert systems for spectroscopic structure elucidation are based and concisely explains the algorithmic concepts behind the programs. The authors use their own personal experiences in the development of the Structure Elucidator (StrucEluc) CASE software system to discuss the present state-of-the-art in computer-assisted structure elucidation. Scientists that are presently using CASE systems will be interested in the algorithms and modern approaches and for organizations that are currently using the StrucEluc platform the book is designed to help researchers understand the strategies behind CASE as well as details regarding the StrucEluc platform. For scientists that have never used CASE systems they will now have access to all necessary information to understand CASE systems for mastering this new and very effective approach to structure elucidation. The authors overall goal is writing this book is to produce the 'must read' definitive text that will represent the results of decades of work to develop computer-assisted structure elucidation software systems. CASE systems are now powerful software tools commonly outperforming and correcting human interpretations of data. This book will also provide an historical perspective of the work of the founding fathers of the technique and identify the challenges that have been overcome to produce modern CASE systems.
Download or read book Dissertation Abstracts International written by and published by . This book was released on 2005 with total page 884 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Natural Products Analysis written by Vladimir Havlicek and published by John Wiley & Sons. This book was released on 2014-10-13 with total page 634 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book highlights analytical chemistry instrumentation and practices applied to the analysis of natural products and their complex mixtures, describing techniques for isolating and characterizing natural products. • Applies analytical techniques to natural products research – an area of critical importance to drug discovery • Offers a one-stop shop for most analytical methods: x-ray diffraction, NMR analysis, mass spectrometry, and chemical genetics • Includes coverage of natural products basics and highlights antibacterial research, particularly important as efforts to combat drug resistance gain prominence • Covers instrumental techniques with enough detail for both current practitioners and beginning researchers
Download or read book Analyzing Biomolecular Interactions by Mass Spectrometry written by Jeroen Kool and published by John Wiley & Sons. This book was released on 2015-05-04 with total page 402 pages. Available in PDF, EPUB and Kindle. Book excerpt: This monograph reviews all relevant technologies based on mass spectrometry that are used to study or screen biological interactions in general. Arranged in three parts, the text begins by reviewing techniques nowadays almost considered classical, such as affinity chromatography and ultrafiltration, as well as the latest techniques. The second part focusses on all MS-based methods for the study of interactions of proteins with all classes of biomolecules. Besides pull down-based approaches, this section also emphasizes the use of ion mobility MS, capture-compound approaches, chemical proteomics and interactomics. The third and final part discusses other important technologies frequently employed in interaction studies, such as biosensors and microarrays. For pharmaceutical, analytical, protein, environmental and biochemists, as well as those working in pharmaceutical and analytical laboratories.
Download or read book Applied Chemoinformatics written by Thomas Engel and published by John Wiley & Sons. This book was released on 2018-06-05 with total page 660 pages. Available in PDF, EPUB and Kindle. Book excerpt: Edited by world-famous pioneers in chemoinformatics, this is a clearly structured and applications-oriented approach to the topic, providing up-to-date and focused information on the wide range of applications in this exciting field. The authors explain methods and software tools, such that the reader will not only learn the basics but also how to use the different software packages available. Experts describe applications in such different fields as structure-spectra correlations, virtual screening, prediction of active sites, library design, the prediction of the properties of chemicals, the development of new cosmetics products, quality control in food, the design of new materials with improved properties, toxicity modeling, assessment of the risk of chemicals, and the control of chemical processes. The book is aimed at advanced students as well as lectures but also at scientists that want to learn how chemoinformatics could assist them in solving their daily scientific tasks. Together with the corresponding textbook Chemoinformatics - Basic Concepts and Methods (ISBN 9783527331093) on the fundamentals of chemoinformatics readers will have a comprehensive overview of the field.
Download or read book Applied Chemoinformatics written by Thomas Engel and published by John Wiley & Sons. This book was released on 2018-04-19 with total page 647 pages. Available in PDF, EPUB and Kindle. Book excerpt: Edited by world-famous pioneers in chemoinformatics, this is a clearly structured and applications-oriented approach to the topic, providing up-to-date and focused information on the wide range of applications in this exciting field. The authors explain methods and software tools, such that the reader will not only learn the basics but also how to use the different software packages available. Experts describe applications in such different fields as structure-spectra correlations, virtual screening, prediction of active sites, library design, the prediction of the properties of chemicals, the development of new cosmetics products, quality control in food, the design of new materials with improved properties, toxicity modeling, assessment of the risk of chemicals, and the control of chemical processes. The book is aimed at advanced students as well as lectures but also at scientists that want to learn how chemoinformatics could assist them in solving their daily scientific tasks. Together with the corresponding textbook Chemoinformatics - Basic Concepts and Methods (ISBN 9783527331093) on the fundamentals of chemoinformatics readers will have a comprehensive overview of the field.
Download or read book Processing Metabolomics and Proteomics Data with Open Software written by Robert Winkler and published by Royal Society of Chemistry. This book was released on 2020-03-19 with total page 460 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metabolomics and proteomics allow deep insights into the chemistry and physiology of biological systems. This book expounds open-source programs, platforms and programming tools for analysing metabolomics and proteomics mass spectrometry data. In contrast to commercial software, open-source software is created by the academic community, which facilitates the direct interaction between users and developers and accelerates the implementation of new concepts and ideas. The first section of the book covers the basics of mass spectrometry, experimental strategies, data operations, the open-source philosophy, metabolomics, proteomics and statistics/ data mining. In the second section, active programmers and users describe available software packages. Included tutorials, datasets and code examples can be used for training and for building custom workflows. Finally, every reader is invited to participate in the open science movement.
Download or read book Modern Phytochemical Methods written by Nikolaus H. Fischer and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 412 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume contains reviews which are based on a symposium, given th at the 30 meeting of The Phytochemical Society of North America, held at Laval University in Quebec City, Canada on August 11-15, 1990. During the past two decades, there have been major new developments in methods which can be applied toward the isolation, separation and structure determination of complex natural products. Therefore, the topic of this symposium, "Modem Phytochemical Methods", is a very timely one. The organizers of the symposium recognized that it would not be possible to cover in detail all new advances in phytochemical methodology. It was therefore decided to emphasize general reviews on recent developments of major separation techniques such as high performance liquid chromatography as well as supercritical fluid chromato graphy. In addition, advances in commonly used structure determination methods, mainly NMR and MS, are reviewed. Other topics include methodo logies of micro-sampling for isolation and analysis of trichome constituents as well as recent breakthroughs on biosynthetic studies of monoterpenes using "enriched" basal cells of trichomes. The volume concludes with a review of quantitative structure-activity relationship (QSAR) studies of biologically active natural products. In Chapter I, K. Hostettmann and his colleagues give a general review of recent developments in the separation of natural products with major emphasis on preparative separations of biologically active plant constituents. The authors present a comparison of droplet countercurrent chromatography (OCCC) with the highly rapid and more versatile centrifugal partition chromatography (CPC).
Download or read book Mass Spectrometry Based Chemical Proteomics written by W. Andy Tao and published by John Wiley & Sons. This book was released on 2019-07-10 with total page 449 pages. Available in PDF, EPUB and Kindle. Book excerpt: PROVIDES STRATEGIES AND CONCEPTS FOR UNDERSTANDING CHEMICAL PROTEOMICS, AND ANALYZING PROTEIN FUNCTIONS, MODIFICATIONS, AND INTERACTIONS—EMPHASIZING MASS SPECTROMETRY THROUGHOUT Covering mass spectrometry for chemical proteomics, this book helps readers understand analytical strategies behind protein functions, their modifications and interactions, and applications in drug discovery. It provides a basic overview and presents concepts in chemical proteomics through three angles: Strategies, Technical Advances, and Applications. Chapters cover those many technical advances and applications in drug discovery, from target identification to validation and potential treatments. The first section of Mass Spectrometry-Based Chemical Proteomics starts by reviewing basic methods and recent advances in mass spectrometry for proteomics, including shotgun proteomics, quantitative proteomics, and data analyses. The next section covers a variety of techniques and strategies coupling chemical probes to MS-based proteomics to provide functional insights into the proteome. In the last section, it focuses on using chemical strategies to study protein post-translational modifications and high-order structures. Summarizes chemical proteomics, up-to-date concepts, analysis, and target validation Covers fundamentals and strategies, including the profiling of enzyme activities and protein-drug interactions Explains technical advances in the field and describes on shotgun proteomics, quantitative proteomics, and corresponding methods of software and database usage for proteomics Includes a wide variety of applications in drug discovery, from kinase inhibitors and intracellular drug targets to the chemoproteomics analysis of natural products Addresses an important tool in small molecule drug discovery, appealing to both academia and the pharmaceutical industry Mass Spectrometry-Based Chemical Proteomics is an excellent source of information for readers in both academia and industry in a variety of fields, including pharmaceutical sciences, drug discovery, molecular biology, bioinformatics, and analytical sciences.
