title: Evaluation of HPLC retention data by non-linear mapping, cluster analysis and varimax rotation. A comparative study.
abstract: The retention of 17 propargylamine derivatives was determined on a beta-cyclodextrin polymer (beta-CDP)-coated silica column using tetrahydrofuran-0.05 M K2HPO4 (6:4, v/v) as eluent. The inclusion complex formation between the propargylamine derivatives and a water-soluble beta-CDP was studied by charge-transfer chromatography carried out on reversed-phase TLC layers. The capacity factors were correlated with the various measured and calculated physicochemical parameters of the solutes using principal component analysis followed by non-linear mapping, varimax rotation and cluster analysis. Calculations proved that the hydrophobicity and steric parameters have the highest influence on the retention of propargylamine derivatives. It has been established that each statistical method can be used for the evaluation of similar retention data matrices, however, the results can be slightly different according to the method applied.
authors.affiliation: Central Research Institute for Chemistry, Hungarian Academy of Sciences, Budapest, Hungary.
authors.forename: T
authors.initials: T
authors.lastname: Cserháti
mesh_terms: D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D002855:Chromatography, Thin Layer; D016000:Cluster Analysis; D003505:Cyclodextrins / Q000378:metabolism; D005663:Furans / Q000378:metabolism; D015394:Molecular Structure; D008996:Monoamine Oxidase Inhibitors / Q000032:analysis / Q000494:pharmacology; D015999:Multivariate Analysis; D010293:Pargyline / Q000031:analogs & derivatives* / Q000032:analysis / Q000494:pharmacology; D011437:Propylamines / Q000032:analysis* / Q000494:pharmacology; D012044:Regression Analysis; D047392:beta-Cyclodextrins
chemical_list: D003505:Cyclodextrins; D005663:Furans; D008996:Monoamine Oxidase Inhibitors; D011437:Propylamines; D047392:beta-Cyclodextrins; C009054:propargylamine; C018674:tetrahydrofuran; D010293:Pargyline; C031215:betadex