Synopsis
This textbook provides undergraduate students with comprehensive and accessible instruction in the fundamentals of chemometrics. This branch of analytical chemistry is devoted to the optimisation and implementation of analytical methods and the use of statistical and informatic tools. Readers will receive detailed and practical training in how to devise efficient and reliable analytical methodologies using experimental design and signal calibration. They will also learn how to extract meaningful information using multivariate data analysis. The exercises contained within the volume will provide easy-to-follow standard protocols and guide students in the use of the valuable and freely available open-source software CAT (Chemometric Agile Tool). This book is a much-needed tool for undergraduate students in the modern academic environment. The theoretical and practical guidance it provides, alongside the dedicated software, is tailored to bridge any gaps in formal instruction and help inexperienced students excel in the field of chemometrics.
About the Authors
José Andrade-Garda has been a Professor at the University of A Coruña since 2011. He has been in charge of teaching several subjects related to Analytical Chemistry since 1995. His main interests are Quality Control and Chemometrics. He focuses on multivariate regression and pattern recognition methods (both unsupervised and supervised). In the Atomic Spectrometry arena, he has applied formal optimisation techniques to optimize analytical protocols and has applied multivariate regression tools to cope with spectral and chemical interferences in ETAAS (traditional and slurry-based sample introduction). In the infrared spectrometry arena, he has developed analytical methods for the petrochemical field. At present, he is working on environmental pollution, developing IR analytical methods for microplastic identification, and data mining. He has published around 130 papers in peer-reviewed journals.
Riccardo Leardi is an Associate Professor at the Department of Pharmacy, School of Medical and Pharmaceutical Sciences, University of Genoa, where he has been involved since 1985, in the Analytical Chemistry section. His major research field is chemometrics. His interests are mainly devoted to problems of classification and regression (applied especially to food, environmental and clinical data), experimental design, process optimisation, multivariate process monitoring and multivariate quality control. He developed the chemometrics software programs CAT (Chemometric Agile Tool) and BasiCAT, both freely downloadable and used throughout this book. He has coauthored about 150 papers and more than 130 communications in national and international meetings — several as an invited speaker. He has been invited to give talks and courses for several industries and research centers. He organizes two schools of chemometrics (Multivariate Analysis; Experimental Design), each held twice a year at the University of Genoa. Since November 2002, he has been professionally engaged as a chemometric consultant.
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