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Chemometrics In Analytical Spectroscopy

Author : Mike J Adams
ISBN : 9781847550484
Genre : Science
File Size : 50.10 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


Author : K. Danzer
ISBN : 9783642565847
Genre : Science
File Size : 89.61 MB
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Klaus Danzers Chemometrik - Grundlagen und Anwendungen füllt eine Lücke im deutschsprachigen Lehrbuchmarkt. Es spannt den Bogen von der uni- und multivarianten Statistik bis hin zu Neuronalen Netzen und Genetischen Algorithmen und konzentriert sich auf die Analyse analytisch-chemischer und chemisch-experimenteller Daten. Es bietet Studenten und bereits in der Praxis tätigen Einsteigern die Möglichkeit, sich in die Grundlagen ohne überflüssigen theoretischen Ballast einzuarbeiten und viele existierende oder potentielle Anwendungsfelder kennenzulernen. Dem Fachmann bietet es einen systematischen, alle Schritte des analytischen Prozesses einschliessenden Überblick; auch Versuchsplanung, Optimierung, Signal- und Bildverarbeitung, Qualitätssicherung und Rentabilitätsbetrachtungen werden ausreichend berücksichtigt. Besonderer Wert wurde auf die Anschaulichkeit, die Darstellung der Zusammenhänge zwischen den Methoden und die Praxisrelevanz gelegt.
Category: Science

Basic Chemometric Techniques In Atomic Spectroscopy

Author : Jose Andrade-Garda
ISBN : 9781782625445
Genre : Science
File Size : 21.85 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

Molecular And Analytical Spectroscopy

Author : N.P. Sharma
ISBN : 8178350513
Genre : Molecular spectroscopy
File Size : 77.85 MB
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Spectroscopic technologies form the most important single group of techniques used in chemical analysis. This book provides an authoritative account of every aspect of molecular and analytical spectroscopy of current interest and demonstrates progress in the subject that made in recent past. The book aims to provide students and practising spectroscopists with an introduction and guide to the application of analytical techniques. It also aims at providing the reader with sufficient details of fundamental techniques to encourage further study and exploration in instrumental analysis. This book will prove to be highly informative for students in the disciplines of chemistry and physics.
Category: Molecular spectroscopy

Introduction To Multivariate Statistical Analysis In Chemometrics

Author : Kurt Varmuza
ISBN : 1420059491
Genre : Science
File Size : 76.96 MB
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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 principal component analysis, regression analysis, classification methods, and clustering. Written by a chemometrician and a statistician, the book reflects the practical approach of chemometrics and the more formally oriented one of statistics. To enable a better understanding of the statistical methods, the authors apply them to real data examples from chemistry. They also examine results of the different methods, comparing traditional approaches with their robust counterparts. In addition, the authors use the freely available R package to implement methods, encouraging readers to go through the examples and adapt the procedures to their own problems. Focusing on the practicality of the methods and the validity of the results, this book offers concise mathematical descriptions of many multivariate methods and employs graphical schemes to visualize key concepts. It effectively imparts a basic understanding of how to apply statistical methods to multivariate scientific data.
Category: Science

Process Analytical Technology

Author : Katherine A. Bakeev
ISBN : 9780470689608
Genre : Science
File Size : 46.70 MB
Format : PDF
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Process Analytical Technology explores the concepts of PAT and its application in the chemical and pharmaceutical industry from the point of view of the analytical chemist. In this new edition all of the original chapters have been updated and revised, and new chapters covering the important topics of sampling, NMR, fluorescence, and acoustic chemometrics have been added. Coverage includes: Implementation of Process Analytical Technologies UV-Visible Spectroscopy for On-line Analysis Infrared Spectroscopy for Process Analytical Applications Process Raman Spectroscopy Process NMR Spectrscopy: Technology and On-line Applications Fluorescent Sensing and Process Analytical Applications Chemometrics in Process Analytical Technology (PAT) On-Line PAT Applications of Spectroscopy in the Pharmaceutical Industry Future Trends for PAT for Increased Process Understanding and Growing Applications in Biomanufacturing NIR Chemical Imaging This volume is an important starting point for anyone wanting to implement PAT and is intended not only to assist a newcomer to the field but also to provide up-to-date information for those who practice process analytical chemistry and PAT. It is relevant for chemists, chemical and process engineers, and analytical chemists working on process development, scale-up and production in the pharmaceutical, fine and specialty chemicals industries, as well as for academic chemistry, chemical engineering, chemometrics and pharmaceutical science research groups focussing on PAT. Review from the First Edition “The book provides an excellent first port of call for anyone seeking material and discussions to understand the area better. It deserves to be found in every library that serves those who are active in the field of Process Analytical Technology.”—Current Engineering Practice
Category: Science

Statistics And Chemometrics For Analytical Chemistry

Author : James Miller
ISBN : 9781292186726
Genre : Science
File Size : 44.27 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

Progress In Chemometrics Research

Author : Alexey L. Pomerantsev
ISBN : 1594542570
Genre : Medical
File Size : 41.93 MB
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Chemometrics is the chemical discipline that uses mathematical, statistical and other methods employing formal logic: to design or select optimal measurement procedures and experiments, and - to provide maximum relevant chemical information by analysing chemical data. Being conceived as a branch of analytical chemistry, chemometrics now is a general approach. It extracts relevant information out of measured data, regardless of their origin: chemical, physical, biological, etc. Chemometrics has been applied in different areas, and most successfully in multivariate calibration, pattern recognition, classification and discriminant analysis, multivariate modelling, and monitoring of processes. The main chemometric principle is a concept of hidden data structures that can be found using methods of multivariate data analysis. These are the well-known statistic tools such as partial least squares (PLS), soft independent modelling of class analogy (SIMCA), principal-component regression (PCR), wavelet analysis, and many others. development of new methods for manipulating multivariate data; and new applications of the known chemometric techniques in different areas such as environment control, food industry, agriculture, medicine, and engineering.
Category: Medical

Chemometrics In Spectroscopy

Author : Howard Mark
ISBN : 9780128053300
Genre : Science
File Size : 53.34 MB
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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

Mathematical And Statistical Methods In Food Science And Technology

Author : Daniel Granato
ISBN : 9781118433683
Genre : Science
File Size : 50.30 MB
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Mathematical and Statistical Approaches in Food Science and Technology offers an accessible guide to applying statistical and mathematical technologies in the food science field whilst also addressing the theoretical foundations. Using clear examples and case-studies by way of practical illustration, the book is more than just a theoretical guide for non-statisticians, and may therefore be used by scientists, students and food industry professionals at different levels and with varying degrees of statistical skill.
Category: Science