Chemometrics in Bioanalytical Chemistry

Sena, Marcelo Martins; Braga, Jez Willian Batista; Breitkreitz, Márcia Cristina; Ferrão, Marco Flores; Silva, Carolina Santos

doi:10.1007/978-3-030-82381-8_26

Marcelo Martins Sena⁵,
Jez Willian Batista Braga⁶,
Márcia Cristina Breitkreitz⁷,
Marco Flores Ferrão⁸ &
…
Carolina Santos Silva⁹

1589 Accesses
1 Citations

Abstract

This chapter presents and discusses the main qualitative and quantitative chemometric approaches that have been applied in bioanalytical chemistry. It covers data preprocessing, design of experiments (DoE), principal component analysis (PCA), hierarchical cluster analysis (HCA), soft independent modeling of class analogy (SIMCA), partial least squares discriminant analysis (PLS-DA), principal component regression (PCR), PLS, and multivariate curve resolution with alternating least squares (MCR-ALS). All the topics were illustrated with representative and relevant applications in bioanalytical chemistry.

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Authors and Affiliations

Chemistry Department, Institute of Exact Sciences, Universidade Federal de Minas Gerais, Belo Horizonte, MG, Brazil
Marcelo Martins Sena
Chemistry Institute, Universidade de Brasília, Brasília, DF, Brazil
Jez Willian Batista Braga
Analytical Chemistry Department, Chemistry Institute, Universidade Estadual de Campinas, Campinas, SP, Brazil
Márcia Cristina Breitkreitz
Inorganic Chemistry Department, Chemistry Institute, Universidade Federal do Rio Grande do Sul, Porto Alegre, RS, Brazil
Marco Flores Ferrão
Faculty of Health Sciences, Department of Food Sciences and Nutrition, University of Malta, Msida, Malta
Carolina Santos Silva

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Marcelo Martins Sena
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Jez Willian Batista Braga
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Márcia Cristina Breitkreitz
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Marco Flores Ferrão
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Carolina Santos Silva
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Correspondence to Marcelo Martins Sena .

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Institute of Chemistry, State University of Campinas, Campinas, Brazil
Lauro Tatsuo Kubota
Institute of Chemistry, State University of Campinas, Campinas, Brazil
José Alberto Fracassi da Silva
Institute of Chemistry, Federal University of Minas Gerais, Belo Horizonte, Brazil
Marcelo Martins Sena
Center for Natural and Human Sciences, Federal University of ABC, Santo Andre - SP, Brazil
Wendel Andrade Alves

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Sena, M.M., Braga, J.W.B., Breitkreitz, M.C., Ferrão, M.F., Silva, C.S. (2022). Chemometrics in Bioanalytical Chemistry. In: Kubota, L.T., da Silva, J.A.F., Sena, M.M., Alves, W.A. (eds) Tools and Trends in Bioanalytical Chemistry. Springer, Cham. https://doi.org/10.1007/978-3-030-82381-8_26

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DOI: https://doi.org/10.1007/978-3-030-82381-8_26
Published: 26 November 2021
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