Chemometrics

Data Treatment and Applications

Häftad, Engelska, 2024

AvFabiano Andr� Narciso Fernandes,Sueli Rodrigues,Elenilson Godoy Alves Filho

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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.

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

Produktinformation

Utgivningsdatum2024-06-27
Mått191 x 235 x undefined mm
Vikt1 160 g
FormatHäftad
SpråkEngelska
Antal sidor562
FörlagElsevier Science
ISBN9780443214936

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Fabiano André Narciso Fernandes is currently a Professor of Chemical Engineering at the Federal University of Ceará, Brazil, where he teaches and undertakes research on process and product development. He received his degree in chemical engineering from the Federal University of São Carlos in São Paulo, Brazil. He received his PhD in chemical engineering in 2002 from the State University of Campinas, in São Paulo, Brazil. Dr. Fernandes has published more than 100 papers in scientific journals. 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.

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