Chemometrics in bioanalytical chemistry

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

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

Chemometrics in bioanalytical chemistry

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

^*Corresponding author for this work

Not published at VTT

Research output: Chapter in Book/Report/Conference proceeding › Chapter or book article › Scientific › peer-review

7 Citations (Scopus)

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.

Original language	English
Title of host publication	Tools and Trends in Bioanalytical Chemistry
Publisher	Springer
Pages	497-541
Number of pages	45
ISBN (Electronic)	9783030823818
ISBN (Print)	9783030823801
DOIs	https://doi.org/10.1007/978-3-030-82381-8_26
Publication status	Published - 25 Nov 2021
MoE publication type	A3 Part of a book or another research book

Keywords

Curve resolution
Design of experiments
Discriminant analysis
Multivariate calibration
PCA
PLS-DA

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

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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.",

keywords = "Curve resolution, Design of experiments, Discriminant analysis, Multivariate calibration, PCA, PLS-DA",

author = "Sena, \{Marcelo Martins\} and Braga, \{Jez Willian Batista\} and Breitkreitz, \{M{\'a}rcia Cristina\} and Ferr{\~a}o, \{Marco Flores\} and Silva, \{Carolina Santos\}",

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TY - CHAP

T1 - Chemometrics in bioanalytical chemistry

AU - Sena, Marcelo Martins

AU - Braga, Jez Willian Batista

AU - Breitkreitz, Márcia Cristina

AU - Ferrão, Marco Flores

AU - Silva, Carolina Santos

PY - 2021/11/25

Y1 - 2021/11/25

N2 - 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.

AB - 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.

KW - Curve resolution

KW - Design of experiments

KW - Discriminant analysis

KW - Multivariate calibration

KW - PCA

KW - PLS-DA

UR - https://www.scopus.com/pages/publications/85136593784

U2 - 10.1007/978-3-030-82381-8_26

DO - 10.1007/978-3-030-82381-8_26

M3 - Chapter or book article

AN - SCOPUS:85136593784

SN - 9783030823801

SP - 497

EP - 541

BT - Tools and Trends in Bioanalytical Chemistry

PB - Springer

ER -

Chemometrics in bioanalytical chemistry

Abstract

Keywords

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