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Chemometrics For Characterization Classification And Prediction In Chromatography
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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.
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
Book Synopsis Comprehensive Chemometrics by : Steven Brown
Download or read book Comprehensive Chemometrics written by Steven Brown and published by Elsevier. This book was released on 2020-05-26 with total page 2948 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprehensive Chemometrics, Second Edition, Four Volume Set features expanded and updated coverage, along with new content that covers advances in the field since the previous edition published in 2009. Subject of note include updates in the fields of multidimensional and megavariate data analysis, omics data analysis, big chemical and biochemical data analysis, data fusion and sparse methods. The book follows a similar structure to the previous edition, using the same section titles to frame articles. Many chapters from the previous edition are updated, but there are also many new chapters on the latest developments. Presents integrated reviews of each chemical and biological method, examining their merits and limitations through practical examples and extensive visuals Bridges a gap in knowledge, covering developments in the field since the first edition published in 2009 Meticulously organized, with articles split into 4 sections and 12 sub-sections on key topics to allow students, researchers and professionals to find relevant information quickly and easily Written by academics and practitioners from various fields and regions to ensure that the knowledge within is easily understood and applicable to a large audience Presents integrated reviews of each chemical and biological method, examining their merits and limitations through practical examples and extensive visuals Bridges a gap in knowledge, covering developments in the field since the first edition published in 2009 Meticulously organized, with articles split into 4 sections and 12 sub-sections on key topics to allow students, researchers and professionals to find relevant information quickly and easily Written by academics and practitioners from various fields and regions to ensure that the knowledge within is easily understood and applicable to a large audience
Download or read book Comprehensive Chemometrics written by and published by Elsevier. This book was released on 2009-03-09 with total page 2880 pages. Available in PDF, EPUB and Kindle. Book excerpt: Designed to serve as the first point of reference on the subject, Comprehensive Chemometrics presents an integrated summary of the present state of chemical and biochemical data analysis and manipulation. The work covers all major areas ranging from statistics to data acquisition, analysis, and applications. This major reference work provides broad-ranging, validated summaries of the major topics in chemometrics—with chapter introductions and advanced reviews for each area. The level of material is appropriate for graduate students as well as active researchers seeking a ready reference on obtaining and analyzing scientific data. Features the contributions of leading experts from 21 countries, under the guidance of the Editors-in-Chief and a team of specialist Section Editors: L. Buydens; D. Coomans; P. Van Espen; A. De Juan; J.H. Kalivas; B.K. Lavine; R. Leardi; R. Phan-Tan-Luu; L.A. Sarabia; and J. Trygg Examines the merits and limitations of each technique through practical examples and extensive visuals: 368 tables and more than 1,300 illustrations (750 in full color) Integrates coverage of chemical and biological methods, allowing readers to consider and test a range of techniques Consists of 2,200 pages and more than 90 review articles, making it the most comprehensive work of its kind Offers print and online purchase options, the latter of which delivers flexibility, accessibility, and usability through the search tools and other productivity-enhancing features of ScienceDirect
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 Intechopen. This book was released on 2019 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.
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.
Book Synopsis Chemometrics-based Spectroscopy for Pharmaceutical and Biomedical Analysis by : Hoang Vu Dang
Download or read book Chemometrics-based Spectroscopy for Pharmaceutical and Biomedical Analysis written by Hoang Vu Dang and published by Frontiers Media SA. This book was released on 2019-04-17 with total page 177 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemometrics is the application of mathematics and statistics to chemical data in order to design or select optimal experimental procedures, to provide maximum relevant information, and to obtain knowledge about systems under study. This chemical discipline has constantly developed to become a mature field of Analytical Chemistry after its inception in the 1970s. The utility and versatility of chemometric techniques enable spectroscopists to perform multidimensional classification and/or calibration of spectral data that make identification and quantification of analytes in complex mixtures possible.Wavelets are mathematical functions that cut up data into different frequency components, and then study each component with a resolution matched to its scale. They are now being adapted for a vast number of signal processing due to their unprecedented success in terms of asymptotic optimality, spatial adaptivity and computational efficiency. In analytical chemistry, they have increasingly shown great applicability and have been preferred over existing signal processing algorithms in noise removal, resolution enhancement, data compression and chemometrics modeling in chemical studies.The aim of this Research Topic is to present state-of-the-art applications of chemometrics, in the field of spectroscopy, with special attention to the use of wavelet transform. Both reviews and original research articles on pharmaceutical and biomedical analysis are welcome in the specialty section Analytical Chemistry.
Book Synopsis Chromatographic And Related Separation Techniques In Food Integrity And Authenticity (A 2-volume Set) by : Oscar Nunez
Download or read book Chromatographic And Related Separation Techniques In Food Integrity And Authenticity (A 2-volume Set) written by Oscar Nunez and published by World Scientific. This book was released on 2021-06-24 with total page 533 pages. Available in PDF, EPUB and Kindle. Book excerpt: Food manufacturers, researchers and society in general are increasingly highly interested in the quality and origin of food products. Considering the complexity of the food chain in a globalized world — where many players are involved between production and consumption — fraudulent food manipulation and adulteration practices are increasingly easier to conduct without being detected. Generally, food adulteration is carried out to increase volume, to mask the presence of inferior quality components, and to replace authentic substances for the seller's economic gain. Analytical methodologies to guarantee food integrity and authenticity are therefore required.Chromatographic and Related Separation Techniques in Food Integrity and Authenticity — Volume A: Advances in Chromatographic Techniques addresses fraud prevention and the latest chromatographic and related separation analytical techniques to guarantee food integrity and authenticity by giving special attention to relevant authenticity issues in food production.Chromatographic and Related Separation Techniques in Food Integrity and Authenticity — Volume B: Relevant Applications addresses the relevant application of techniques to assess different food products' integrity and authenticity.
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 506 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.
Book Synopsis Applied Chemoinformatics by : Thomas Engel
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.
Book Synopsis Chemometrics and Authenticity of Foods of Plant Origin by : Sofia Agriopoulou
Download or read book Chemometrics and Authenticity of Foods of Plant Origin written by Sofia Agriopoulou and published by CRC Press. This book was released on 2022-12-22 with total page 362 pages. Available in PDF, EPUB and Kindle. Book excerpt: One of the challenges facing the world is feeding the ever-increasing population, with food security being a growing 21st century problem. This stresses the need for coordinated international systems to prevent and mitigate food fraud in global food supply chains. Food fraud, which is usually financially motivated, has significant consequences including unfair competition, major damage to markets and organizations, loss of consumer confidence, and it raises food safety issues. A shift toward a more plant-based diet can be endorsed to promote sustainability but also to improve public health and minimize animal suffering. The aim of this book is to deal with issues related to authenticity and chemometrics of the most important food products of plant origin, such as cereals, nuts, legumes, table olives and olive oil, coffee, tea, fruits and vegetables, fruit juices, spices, mushrooms, beers and wines, and honey, using state-of-the-art analytical techniques and instrumentation coupled with available chemometric tools.
Book Synopsis Encyclopedia of Chromatography by : Jack Cazes
Download or read book Encyclopedia of Chromatography written by Jack Cazes and published by CRC Press. This book was released on 2009-10-12 with total page 2968 pages. Available in PDF, EPUB and Kindle. Book excerpt: Thoroughly revised and expanded, this third edition offers illustrative tables and figures to clarify technical points in the articles and provides a valuable, reader-friendly reference for all those who employ chromatographic methods for analysis of complex mixtures of substances. An authoritative source of information, this introductory guide to specific chromatographic techniques and theory discusses the relevant science and technology, offering key references for analyzing specific chemicals and applications in industry and focusing on emerging technologies and uses.
Book Synopsis Introduction to Multivariate Statistical Analysis in Chemometrics by : Kurt Varmuza
Download or read book Introduction to Multivariate Statistical Analysis in Chemometrics written by Kurt Varmuza and published by CRC Press. This book was released on 2016-04-19 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: Using formal descriptions, graphical illustrations, practical examples, and R software tools, Introduction to Multivariate Statistical Analysis in Chemometrics presents simple yet thorough explanations of the most important multivariate statistical methods for analyzing chemical data. It includes discussions of various statistical methods, such as
Download or read book Chemometrics in Food Chemistry written by and published by Newnes. This book was released on 2013-06-08 with total page 513 pages. Available in PDF, EPUB and Kindle. Book excerpt: The issues related to food science and authentication are of particular importance for researchers, consumers and regulatory entities. The need to guarantee quality foodstuff – where the word "quality" encompasses many different meanings, including e.g. nutritional value, safety of use, absence of alteration and adulterations, genuineness, typicalness, etc. – has led researchers to look for increasingly effective tools to investigate and deal with food chemistry problems. As even the simplest food is a complex matrix, the way to investigate its chemistry cannot be other than multivariate. Therefore, chemometrics is a necessary and powerful tool for the field of food analysis and control. For food science in general and food analysis and control in particular, there are several problems for which chemometrics are of utmost importance. Traceability, i.e. the possibility of verifying the animal/botanical, geographical and/or productive origin of a foodstuff, is, for instance, one area where the use of chemometric techniques is not only recommended but essential: indeed, at present no specific chemical and/or physico-chemical markers have been identified that can be univocally linked to the origin of a foodstuff and the only way of obtaining reliable traceability is by means of multivariate classification applied to experimental fingerprinting results. Another area where chemometrics is of particular importance is in building the bridge between consumer preferences, sensory attributes and molecular profiling of food: by identifying latent structures among the data tables, bilinear modeling techniques (such as PCA, MCR, PLS and its various evolutions) can provide an interpretable and reliable connection among these domains. Other problems include process control and monitoring, the possibility of using RGB or hyperspectral imaging techniques to nondestructively check food quality, calibration of multidimensional or hyphenated instruments etc.
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
Download or read book Gas Chromatography written by Peter Kusch and published by BoD – Books on Demand. This book was released on 2019-09-04 with total page 144 pages. Available in PDF, EPUB and Kindle. Book excerpt: Gas chromatography (GC) is one of the most important types of chromatography used in analytical chemistry for separating and analyzing chemical organic compounds. Today, gas chromatography is one of the most widespread investigation methods of instrumental analysis. This technique is used in the laboratories of chemical, petrochemical, and pharmaceutical industries, in research institutes, and also in clinical, environmental, and food and beverage analysis. This book is the outcome of contributions by experts in the field of gas chromatography and includes a short history of gas chromatography, an overview of derivatization methods and sample preparation techniques, a comprehensive study on pyrazole mass spectrometric fragmentation, and a GC/MS/MS method for the determination and quantification of pesticide residues in grape samples.
Book Synopsis Advances in Chemical Analysis Procedures (Part II) by : Marcello Locatelli
Download or read book Advances in Chemical Analysis Procedures (Part II) written by Marcello Locatelli and published by MDPI. This book was released on 2021-01-20 with total page 224 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the field of Analytical Chemistry and, in particular, whenever a quali-quantitative analysis is required, until a few years ago, reference was made exclusively to instrumental methods (more or less hyphenated) which, once validated, were able to provide the answers to the questions present, even if only in a limited way to analytical targets. Nowadays, the landscape has become considerably complicated (natural adulterants, assessment of geographical origin, sophistication, need for non-destructive analysis, search for often unknown compounds), and new procedures for processing data have greatly increased the potential of analyses that are conducted (even routinely) in the laboratory. In this scenario, chemometrics is master, able to manage and process a huge amount of information based both on data relating only to the analytes of interest, but also by applying “general” procedures to process raw untargeted analysis data. It is within this strand of analysis that many of the works reported in this Special Issue fall. In the succession of works in this printed version, the criterion that guided us was to highlight how—starting exclusively from chromatographic techniques (HPLC and GC) with conventional detectors and moving to exclusively spectroscopic techniques (MS, FT-IR and Raman)—it is possible arrive at extremely powerful coupled techniques and procedures (HPLC and FT-IR) able to meet research needs. Finally, at the end of the printed volume, there are two reviews that surveying the state of the art regarding the assessment of authenticity through qualitative analyses and the application of chemometrics in the pharmaceutical field in the study of forced drug degradation products. From the succession of works (and, above all, from the various application fields) it can immediately be seen how the application of chemometrics and its procedures to both raw and processed data is a powerful means of obtaining robust, reproducible, and predictive information. In this manner, it is possible to create models able to explain and respond to the original problem in a much more detailed way. , and Honghe through Fourier transform mid infrared (FT-MIR) spectra combined with partial least squares discriminant analysis (PLS-DA), random forest (RF), and hierarchical cluster analysis (HCA) methods. Melucci and collaborators apply chemometric approaches to non-destructive analysis of ATR-FT-IR for the determination of biosilica content. This value was directly evaluated in sediment samples, without any chemical alteration, using attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy, and the quantification was performed by combining the multivariate standard addition method (MSAM) with the net analyte signal (NAS) procedure to solve the strong matrix effect of sediment samples. Still in the food and food supplements field, Anguebes-Franseschi and collaborators report an article where 10 chemometric models based on Raman spectroscopy were applied to predict the physicochemical properties of honey produced in the state of Campeche, Mexico.
