Chemometrics Data Treatment and Applications
Coordonnateurs : Fernandes Fabiano André Narciso, Rodrigues Sueli, Filho Elenilson Godoy Alves
Chemometrics: Data Treatment and Applications demonstrates 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, the book is meant for the industrial chemist, 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 and the best practices used to treat data from different analytical instruments. 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.
1 Introduction
2 Relevant topics in the interpretation of chemometric data
3 Experimental design for chemometrics: best practices
4 Hyperspectral imaging combined with chemometrics
SECTION 2 CHEMICAL ANALYSIS APPROACHES
5 Hyperspectral imaging applications
6 Near infrared (NIR) and fourier transform infrared (FTIR) spectroscopy combined with chemometrics for agrifood products analysis
7 NMR combined with chemometrics
8 Olfactometry combined with chemometrics
9 Raman spectroscopy combined with chemometrics
10 Sensors and chemometrics
SECTION 3 APPLICATIONS
11 Food adulteration
12 Forensics
13 Chemical tools and chemometrics to uncover geographical indication
14 Heavy metals
15 Metabolite identification
16 Chemometrics on pharmaceuticals
17 Water pollution and contaminants
18 Clinical diagnostics coupled to chemometric
19 Principal component analysis, a more intuitive viewpoint
Sueli Rodrigues is a Professor at the Department of Food Science and Technology, Universidade Federal do Ceará, Brazil. She graduated in Chemical Engineering from Universidade Estadual de Campinas (1998), completing a Master's in Chemical Engineering from Universidade Estadual de Campinas in 2000 and a PhD inChemical Engineering from Universidade Estadual de Campinas (2003).
Elenilson Godoy Alves Filho is currently Professor at the Food Engineering Department in UFC-Fortaleza, Brazil. He developed his undergraduate research in GC-MS and analytical chemistry at the Federal University of Goiás (UFG), Brazil, where he was an organic chemistry monitor. His master's degree was carried out in UFG applied to quantification and chemometric by NMR. He developed his PhD research in UFSCar applied to qNMR, chemometrics, as well as a PhD at University of Toronto applied to HPLC-(UV/MS)-SPE-ASS-NMR and CMP-NMR probe analyses. He developed his Postdoc in food research by qNMR, GC-MS, and LC-MS, all coupled to chemometrics.
- 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
Date de parution : 06-2024
Ouvrage de 562 p.
19x23.4 cm