title: Classification of LC columns based on the QSRR method and selectivity toward moclobemide and its metabolites.
abstract: This paper focuses on a comparative study of the column classification system based on the quantitative structure-retention relationships (QSRR method) and column performance in real biomedical analysis. The assay was carried out for the LC separation of moclobemide and its metabolites in human plasma, using a set of 24 stationary phases. The QSRR models established for the studied stationary phases were compared with the column test performance results under two chemometric techniques - the principal component analysis (PCA) and the hierarchical clustering analysis (HCA). The study confirmed that the stationary phase classes found closely related by the QSRR approach yielded comparable separation for moclobemide and its metabolites. Therefore, the QSRR method could be considered supportive in the selection of a suitable column for the biomedical analysis offering the selection of similar or dissimilar columns with a relatively higher certainty.
authors.affiliation: Department of Pharmaceutical Chemistry, Medical University of Gdańsk, Hallera 107, 80-416 Gdańsk, Poland.
authors.forename: Alina
authors.initials: A
authors.lastname: Plenis
authors.forename: Ilona
authors.initials: I
authors.lastname: Olędzka
authors.forename: Tomasz
authors.initials: T
authors.lastname: Bączek
mesh_terms: D002853:Chromatography, Liquid / Q000295:instrumentation*; D016000:Cluster Analysis; D020912:Moclobemide / Q000032:analysis* / Q000378:metabolism; D025341:Principal Component Analysis; D021281:Quantitative Structure-Activity Relationship
chemical_list: D020912:Moclobemide