Chemometrics

Data Treatment and Applications

Fabiano André Narciso Fernandes, Sueli Rodrigues, Elenilson Godoy Alves Filho, Fabiano André Narciso Fernandes, Sueli Rodrigues, Elenilson Godoy Alves Filho

• Publisher: Elsevier
• Year: 2024
• Print ISBN:
  9780443214936
• eBook ISBN:
  9780443215032
• Topic: Physical Sciences
• Subtopic: Pharmacology

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

• Chemometrics
• Cover
• Title Page
• Copyright Page
• Dedication
• Table of Contents
• List of contributors
• About the editors
• Chapter 1 Introduction
• Chapter 2 Relevant topics in the interpretation of chemometric data
• Chapter 3 Experimental design for chemometrics: best practices
• Chapter 4 Hyperspectral imaging combined with chemometrics
• Chapter 5 Hyperspectral imaging applications
• Chapter 6 Near infrared (NIR) and fourier transform infrared (FTIR) spectroscopy combined with chemometrics for agrifood products analysis
• Chapter 7 NMR combined with chemometrics
• Chapter 8 Olfactometry combined with chemometrics
• Chapter 9 Raman spectroscopy combined with chemometrics
• Chapter 10 Sensors and chemometrics
• Chapter 11 Food adulteration
• Chapter 12 Forensics
• Chapter 13 Chemical tools and chemometrics to uncover geographical indication
• Chapter 14 Heavy metals
• Chapter 15 Metabolite identification
• Chapter 16 Chemometrics on pharmaceuticals
• Chapter 17 Water pollution and contaminants
• Chapter 18 Clinical diagnostics coupled to chemometrics
• Chapter 19 Principal component analysis, a more intuitive viewpoint
• Index