Description
Chemometrics: Data Treatment and Applications demonstrates the best practices for treating real-world analytical instrument data and how to apply chemometrics to this data. Rather than focusing on the mathematical theory involved in chemometrics, this book is meant for the industrial chemist, and academics and advanced students that want to use chemometrics in practice. Case studies on several applications are presented.Unlike existing literature, this book focuses on best practices, practical realities, and challenges when treating data, rather than on the mathematical theory. It also provides basic information on chemometrics, several chapters on how to treat, and the best practices used to treat, data from different analytical instruments, as well as case studies and uses of chemometrics in different fields.The book is written primarily for analytic chemists as practitioners in analytical laboratories and other industries. It will also be useful to academics and graduate, masters and postdoc students chiefly working in analytical chemistry who want to improve the practical aspects of their research activities.- Presents topical and important chapters for the most-used analytical instruments- Focuses on practical issues in the implementation of chemometrics- Examines advances in the application of chemometrics in several fields- Includes frank perspectives on what works well for the data of a certain analytical instrument given the multiple choices of mathematical models and protocols that can be applied- Covered protocols are heavily illustrated with case studies showing their potential use and the advances in chemometrics
Table of Contents
SECTION 1 FUNDAMENTALS1 Introduction2 Relevant topics in the interpretation of chemometric data3 Experimental design for chemometrics: best practices4 Hyperspectral imaging combined with chemometricsSECTION 2 CHEMICAL ANALYSIS APPROACHES5 Hyperspectral imaging applications6 Near infrared (NIR) and fourier transform infrared (FTIR) spectroscopy combined with chemometrics for agrifood products analysis7 NMR combined with chemometrics8 Olfactometry combined with chemometrics9 Raman spectroscopy combined with chemometrics10 Sensors and chemometricsSECTION 3 APPLICATIONS11 Food adulteration12 Forensics13 Chemical tools and chemometrics to uncover geographical indication14 Heavy metals15 Metabolite identification16 Chemometrics on pharmaceuticals17 Water pollution and contaminants18 Clinical diagnostics coupled to chemometric19 Principal component analysis, a more intuitive viewpoint
