Multivariate Curve Resolution Alternating Least Squares Applied to Chromatographic Data: From the Basics to the Recent Advances

Autor(es)

Santana, Igor Miranda ^[1] ; Breitkreitz, Marcia C. ^[1] ; Pinto, Licarion ^[2]

Afiliação do(s) autor(es)

^[1] Univ Estadual Campinas, Inst Quim, Dept Quim Analit, UNICAMP, Rua Josue Castro S-N, BR-13083970 Sao Paulo, SP - Brazil

^[2] Univ Fed Pernambuco UFPE, Dept Quim Fundamental, Av Jornalista Anibal Fernandes S-N, BR-50740540 Recife, PE - Brazil

• Tipo de documento: Artigo de Revisão
• Fonte: BRAZILIAN JOURNAL OF ANALYTICAL CHEMISTRY; v. 8, n. 32, p. 22-44, JUL-SEP 2021.
• Citações Web of Science: 0

Resumo

This revision presents applications of multivariate curve resolution alternating least squares (MCR-ALS) applied to chromatographic data. Initially, the fundamentals and recent advances of the MCR-ALS method will be presented. Several critical issues such as data organization, advantages of the modelling, constraints, evaluation of ambiguity and the use for mathematical separation is discussed. An extensive revision of the papers on MCR-ALS applied to chromatographic data reported up to 2020 is presented. A practical example of an innovative application of cholesterol lowering drugs using supercritical fluid chromatography (SFC) is described highlighting important aspects of the method. At the end, a list of links to MCR-ALS algorithms and graphical interfaces developed in Matlab, R and Python 3 is provided. (AU)

• Processo FAPESP: 16/05636-9 - Desenvolvimento de métodos analíticos inovadores para analitos de interesse farmacêutico empregando cromatografia com fluído supercrítico de ultra alta eficiência (UHPSFC) em associação com ferramentas quimiométricas
• Beneficiário: Márcia Cristina Breitkreitz
• Modalidade de apoio: Auxílio à Pesquisa - Regular