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Chemometrics

Data Treatment and Applications

  • 1st Edition - June 26, 2024
  • Latest edition
  • Editors: Fabiano André Narciso Fernandes, Sueli Rodrigues, Elenilson Godoy Alves Filho
  • Language: English

Chemometrics: Data Treatment and Applications demonstrates best practices for treating real-world analytical instrument data and how to apply chemometrics to this data. Rather th… Read more

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Description

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.

Key features

  • 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

Readership

Analytic chemists as practitioners in analytical laboratories and other industries, academics and graduate, masters and postdoc students chiefly working in analytical chemistry who want to improve the practical aspects of their research activities, those working in industrial sectors including chemical engineering, pharmaceutics, biotechnology, mechanical industry, food engineering and chemistry, and materials science

Table of contents

SECTION 1 FUNDAMENTALS

1 Introduction
Fabiano André Narciso Fernandes, Elenilson Godoy Alves Filho and Sueli Rodrigues

2 Relevant topics in the interpretation of chemometric data
Edenir Pereira-Filho and Fabiola Pereira

3 Experimental design for chemometrics: best practices
Fabiano André Narciso Fernandes

4 Hyperspectral imaging combined with chemometrics
Marlon M. Reis and Mahmoud Al-Sarayreh

SECTION 2 CHEMICAL ANALYSIS APPROACHES

5 Hyperspectral imaging applications
Guilherme Post Sabin, Frederico Luis Felipe Soares, Daniel Lucas Dantas De Freitas, Hanna Vitoria de Oliveira Silva, Carollina de Melo Molinari Ortiz, Antunes, Eslam Ahmed Mohamed, Carlos Alberto Teixeira, Camila Assis, Victor Gustavo Kelis Cardoso and Marcos Volochen

6 Near infrared (NIR) and fourier transform infrared (FTIR) spectroscopy combined with chemometrics for agrifood products analysis
Rohman Abdul, Listanti Riana and Lumakso Fajar Aji

7 NMR combined with chemometrics
Yulia Monakhova and Bernd Diehl

8 Olfactometry combined with chemometrics
Ruyan Hou, Ge Jin and Chuanjian Cui

9 Raman spectroscopy combined with chemometrics
Akanksha Sharma and Vishal Sharma

10 Sensors and chemometrics
Fabio Zaza

SECTION 3 APPLICATIONS

11 Food adulteration
Daniel Cozzolino, Buddhi Dayananda and James Chapman

12 Forensics
Taniya Arora and Vishal Sharma

13 Chemical tools and chemometrics to uncover geographical indication
Thanit Praneenararat, Kanet Wongravee, Worakan Chutakool and Nathathip Yindeethirathana

14 Heavy metals
R.J. Delgado Macuil, D. Santos Ubaldo, R. Zamudio Cañas and V. Lopez Gayou

15 Metabolite identification
Elenilson Godoy Alves Filho, Kirley Canuto, Natalia Martins, Marcos Viana, Marcelino Guedes, Iago Nova, Nilce Gramosa, Edilberto Silveira and Lorena Mara Silva

16 Chemometrics on pharmaceuticals
Rubén Mariano Maggio, Silvana Edit Vignaduzzo and Marina Antonio

17 Water pollution and contaminants
Fabiano André Narciso Fernandes

18 Clinical diagnostics coupled to chemometrics
João Guilherme de Moraes Pontes, Natasa Avramovic,Marcelo Martins Sena and Ljubica Tasic

19 Principal component analysis, a more intuitive viewpoint
Etelvino Henrique Novotny

Product details

  • Edition: 1
  • Latest edition
  • Published: June 27, 2024
  • Language: English

About the editors

FF

Fabiano André Narciso Fernandes

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.
Affiliations and expertise
Professor, Department of Chemical Engineering, Federal University of Ceará (UFC), Brazil

SR

Sueli Rodrigues

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).
Affiliations and expertise
Professor, Department of Food Engineering, Federal University of Ceará (UFC), Brazil

EF

Elenilson Godoy Alves Filho

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.
Affiliations and expertise
Professor, Department of Food Engineering, in UFC-Fortaleza, Brazil

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