Chemometrics
Data Treatment and Applications
- 1st Edition - June 1, 2024
- Editors: Fabiano André Narciso Fernandes, Sueli Rodrigues, Elenilson Godoy Alves Filho
- Language: English
- Paperback ISBN:9 7 8 - 0 - 4 4 3 - 2 1 4 9 3 - 6
- eBook ISBN:9 7 8 - 0 - 4 4 3 - 2 1 5 0 3 - 2
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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Request a sales quoteChemometrics: 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
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
SECTION 1 - FUNDAMENTALS
1. Introduction
Fernandes, Rodrigues, Alves Filho
2. Relevant topics in the Interpretation of Chemometric Data
Rasmus Bro
3. Experimental design for chemometrics. Best practices
Riccardo Leardi
4. Chemometric Basis for Artificial Intelligence, Machine Learning, and Data Mining
José Amigo or Guilherme Post
5. Hyperspectral imaging combined with chemometrics
Yong He or Fei Lui or Cristiane Vidal or Jez Braga
SECTION 2 – CHEMICAL ANALYSIS APPROACHES
6. E-nose, and E-tongue combined with chemometrics
Quanshen Chen or Jun Wang
7. NIR and FTIR Spectrometry combined with chemometrics
Ernest Teye or Xihui Bian or Gary Small
8. NMR combined with chemometrics
Leonardo Pezza or Dirk Lachenmeier or Soren Engelsen
9. Olfactometry combined with chemometrics
Bingcan Chen or Jun Wang
10. One- and two-dimensional chromatography combined with chemometrics
Bob Pirok or Fabio Augusto or Beata Walczak
11. Raman spectroscopy combined with chemometrics
Hongtao Lei or Donghai Han or Igor Lednev
12. Sensors and chemometrics
Daniel Cozzolino or James Chapman or Fabio Zaza
SECTION 3 – Applications
14. Food Adulteration
Royston Goodacre or Theodoros Varzakas
15. Forensics
Rajinder Singh or Maria Fernanda Pimentel or Michael Bovens
16. Geographical origin identification and authentication
Itziar Ruisanchez or Karyne Rogers or Andersson Barison
17. Heavy Metals
Davoud Dastan or Maryam Abbasi Tarighat or Biljana Skrbic
18. Metabolite Identification
Jean-Luc Wolfender or Mohamed Farag or Paulo Ribeiro
19. Pharmaceuticals
Federico Marini or Yulia Monakhova
20. Water Pollution and contaminants
Tania Pizzolato or Andre Simpson or Justyna Kapelewska
21. Soils Mapping
Mogens Greve or Veronique Bellon-Maurel
22. Clinical Diagnostics
Elaine Holmes
1. Introduction
Fernandes, Rodrigues, Alves Filho
2. Relevant topics in the Interpretation of Chemometric Data
Rasmus Bro
3. Experimental design for chemometrics. Best practices
Riccardo Leardi
4. Chemometric Basis for Artificial Intelligence, Machine Learning, and Data Mining
José Amigo or Guilherme Post
5. Hyperspectral imaging combined with chemometrics
Yong He or Fei Lui or Cristiane Vidal or Jez Braga
SECTION 2 – CHEMICAL ANALYSIS APPROACHES
6. E-nose, and E-tongue combined with chemometrics
Quanshen Chen or Jun Wang
7. NIR and FTIR Spectrometry combined with chemometrics
Ernest Teye or Xihui Bian or Gary Small
8. NMR combined with chemometrics
Leonardo Pezza or Dirk Lachenmeier or Soren Engelsen
9. Olfactometry combined with chemometrics
Bingcan Chen or Jun Wang
10. One- and two-dimensional chromatography combined with chemometrics
Bob Pirok or Fabio Augusto or Beata Walczak
11. Raman spectroscopy combined with chemometrics
Hongtao Lei or Donghai Han or Igor Lednev
12. Sensors and chemometrics
Daniel Cozzolino or James Chapman or Fabio Zaza
SECTION 3 – Applications
14. Food Adulteration
Royston Goodacre or Theodoros Varzakas
15. Forensics
Rajinder Singh or Maria Fernanda Pimentel or Michael Bovens
16. Geographical origin identification and authentication
Itziar Ruisanchez or Karyne Rogers or Andersson Barison
17. Heavy Metals
Davoud Dastan or Maryam Abbasi Tarighat or Biljana Skrbic
18. Metabolite Identification
Jean-Luc Wolfender or Mohamed Farag or Paulo Ribeiro
19. Pharmaceuticals
Federico Marini or Yulia Monakhova
20. Water Pollution and contaminants
Tania Pizzolato or Andre Simpson or Justyna Kapelewska
21. Soils Mapping
Mogens Greve or Veronique Bellon-Maurel
22. Clinical Diagnostics
Elaine Holmes
- No. of pages: 470
- Language: English
- Edition: 1
- Published: June 1, 2024
- Imprint: Elsevier
- Paperback ISBN: 9780443214936
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), BrazilSR
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), BrazilEF
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 Ceara (UFC), Brazil, where he was organic chemistry monitor. His master's degree was carried out in UFC 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 (DEAL), Federal University of Ceara (UFC), Brazil