CHEMOMETRICS IN ANALYTICAL SPECTROSCOPY

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Chemometrics In Analytical Spectroscopy

Author : Mike J Adams
ISBN : 9781847550484
Genre : Science
File Size : 75.90 MB
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Chemometrics in Analytical Spectroscopy 2nd Edition provides a tutorial approach to the development of chemometric techniques and their application to the interpretation of analytical spectroscopic data. From simple descriptive statistics to the more sophisticated modelling techniques of principal components analysis and partial least squares regression, this updated edition provides necessary background, enhanced by case studies. The extensive use of worked examples throughout gives Chemometrics in Analytical Spectroscopy 2nd Edition special relevance in teaching and introducing chemometrics to undergraduates and post-graduates. The book is also ideal for analysts with little specialist background. Extracts from reviews of 1st Edition: "Adams has succeeded in providing a text which is focused on analytical spectroscopy and that gently guides the reader through the concepts without recourse to too much matrix algebra." Trends in Analytical Chemistry "...a very good introductory text for those wishing to understand the workings of chemometrics techniques." The Analyst
Category: Science

Chemometrics In Spectroscopy

Author : Howard Mark
ISBN : 9780128053300
Genre : Science
File Size : 64.82 MB
Format : PDF, Kindle
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Chemometrics in Spectroscopy, Second Edition, provides the reader with the methodology crucial to apply chemometrics to real world data. It allows scientists using spectroscopic instruments to find explanations and solutions to their problems when they are confronted with unexpected and unexplained results. Unlike other books on these topics, it explains the root causes of the phenomena that lead to these results. While books on NIR spectroscopy sometimes cover basic chemometrics, they do not mention many of the advanced topics this book discusses. In addition, traditional chemometrics books do not cover spectroscopy to the point of understanding the basis for the underlying phenomena. The second edition has been expanded with 50% more content covering advances in the field that have occurred in the last 10 years, including calibration transfer, units of measure in spectroscopy, principal components, clinical data reporting, classical least squares, regression models, spectral transfer, and more. Written in the column format of the authors’ online magazine Presents topical and important chapters for those involved in analysis work, both research and routine Focuses on practical issues in the implementation of chemometrics for NIR Spectroscopy Includes a companion website with 350 additional color figures that illustrate CLS concepts
Category: Science

Comprehensive Chemometrics

Author : Steven D. Brown
ISBN : 044452701X
Genre : Science
File Size : 57.87 MB
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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
Category: Science

Chemometrics

Author : Aderval S. Luna
ISBN : 153610518X
Genre :
File Size : 66.7 MB
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This book offers an accessible introduction to application-oriented multivariate methods of data analysis and procedures that are highly beneficial to solving a variety of problems by using analytical chemistry and statistics. It presents a diverse selection of topics that include experimental designs applied for the optimisation of liquid chromatographic and capillary electrophoresis, variable selection in chemical data, calibration of the first order: data, algorithms, and analytical applications, characterisation of polyphenols from natural products using separation techniques coupled with chemometrics, detection of malignant tumors using FT-IR spectroscopy combined with chemometrics, guidelines in synthesis of new anticancer compounds, direct analysis of solid samples by spectroscopy and chromatographic techniques, application of data fusion in different levels with examples, and analysis of pharmaceutical and food products by various analytical techniques. This book helps thereader embrace the growing role of chemometrics in some of the latest research trends, such as characterisation of polyphenolic compounds in natural, pharmaceutical, and food products in analytical problems, such as classification and quantification using the multivariate calibration of the second order. This book also identifies several areas for future development and applications. The chapters are written by leading experts. Chemometrics: Methods, Applications, and New Research offers a reliable source of useful information in a style that is accessible to all levels of students, professionals, and researchers involved in analysing scientific data.
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Basic Chemometric Techniques In Atomic Spectroscopy

Author : Jose Andrade-Garda
ISBN : 9781782625445
Genre : Science
File Size : 89.78 MB
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The first edition of this book was a first book for atomic spectroscopists to present the basic principles of experimental designs, optimization and multivariate regression. Multivariate regression is a valuable statistical method for handling complex problems (such as spectral and chemical interferences) which arise during atomic spectrometry. However, the technique is underused as most spectroscopists do not have time to study the often complex literature on the subject. This practical introduction uses conceptual explanations and worked examples to give readers a clear understanding of the technique. Mathematics is kept to a minimum but, when required, is kept at a basic level. Practical considerations, interpretations and troubleshooting are emphasized and literature surveys are included to guide the reader to further work. The same dataset is used for all chapters dealing with calibration to demonstrate the differences between the different methodologies. Readers will learn how to handle spectral and chemical interferences in atomic spectrometry in a new, more efficient and cost-effective way.
Category: Science

Chemometrics

Author : Matthias Otto
ISBN : 9783527699384
Genre : Science
File Size : 58.12 MB
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The third edition of this long-selling introductory textbook and ready reference covers all pertinent topics, from basic statistics via modeling and databases right up to the latest regulatory issues. The experienced and internationally recognized author, Matthias Otto, introduces the statistical-mathematical evaluation of chemical measurements, especially analytical ones, going on to provide a modern approach to signal processing, designing and optimizing experiments, pattern recognition and classification, as well as modeling simple and nonlinear relationships. Analytical databases are equally covered as are applications of multiway analysis, artificial intelligence, fuzzy theory, neural networks, and genetic algorithms. The new edition has 10% new content to cover such recent developments as orthogonal signal correction and new data exchange formats, tree based classification and regression, independent component analysis, ensemble methods and neuro-fuzzy systems. It still retains, however, the proven features from previous editions: worked examples, questions and problems, additional information and brief explanations in the margin.
Category: Science

Statistics For Analytical Chemistry

Author : James N. Miller
ISBN : STANFORD:36105029279549
Genre : Chemistry, Analytic
File Size : 24.59 MB
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An account of the underlying principles of statistical methods for students and practitioners of analytical chemistry, reflecting the impact of microelectronics for the rapid calculation of chemometric procedures such as pattern recognition, optimization, and numerical techniques. Significant change
Category: Chemistry, Analytic

Statistics And Chemometrics For Analytical Chemistry

Author : James Miller
ISBN : 9781292186740
Genre : Science
File Size : 58.4 MB
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Statistics and Chemometrics for Analytical Chemistry 7th edition provides a clear, accessible introduction to main statistical methods used in modern analytical laboratories. It continues to be the ideal companion for students in Chemistry and related fields keen to build their understanding of how to conduct high quality analyses in areas such as the safety of food, water and medicines, environmental monitoring, and chemical manufacturing. With a focus on the underlying statistical ideas, this book incorporates useful real world examples, step by step explanation and helpful exercises throughout. Features of the new edition: · Significant revision of the Quality of analytical measurements chapter to incorporate more detailed coverage of the estimation of measurement uncertainty and the validation of analytical methods. · Updated coverage of a range of topics including robust statistics, Bayesian methods, and testing for normality of distribution, plus expanded material on regression and calibration methods. · Additional experimental design methods, including the increasingly popular optimal designs. · Worked examples have been updated throughout to ensure compatibility with the latest versions of Excel and Minitab. · Exercises are available at the end of each chapter to allow student to check understanding and prepare for exams. Answers are provided at the back of the book for handy reference. This book is aimed at undergraduate and graduate courses in Analytical Chemistry and related topics. It will also be a valuable resource for researchers and chemists working in analytical chemistry.
Category: Science

Applied Chemometrics For Scientists

Author : Richard G. Brereton
ISBN : 9780470057773
Genre : Science
File Size : 24.10 MB
Format : PDF
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The book introduces most of the basic tools of chemometrics including experimental design, signal analysis, statistical methods for analytical chemistry and multivariate methods. It then discusses a number of important applications including food chemistry, biological pattern recognition, reaction monitoring, optimisation of processes, medical applications. The book arises from a series of short articles that have been developed over four years on Chemweb (www.chemweb.com).
Category: Science

Principles And Practice Of Spectroscopic Calibration

Author : Howard Mark
ISBN : 0471546143
Genre : Science
File Size : 52.54 MB
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Dealing with the principles of calibration--both the theoretical and mathematical constructs which relate features of calibration equations to the physical phenomena that affect instruments and samples used on generating information. Among derivations in leading spectroscopic and statistical literature, numerous necessary mathematical derivations have been specifically designed for this book. Covers the practical aspects of generating a calibration equation including how to recognize and deal with various types of problems affecting calibration dataset, relating theoretical ideas, and their affect on data and how to deal with unusual situations.
Category: Science