title: The lipophilicity indices of flavonoids estimated by reversed-phase liquid chromatography using different computation methods.
abstract: The chromatographic behavior of some flavonoids was established by RP-HPLC on RP-18 (LiChroCART, LiChrosphere RP-18e), RP-8 (Zorbax, Eclipse XDB-C8), CN (Säulentechnik, LiChrosphere CN100) columns. The mobile phases were mixtures of methanol-water in different volume proportions from 70 to 80% v/v for RP-18 and RP-8, while for the CN column the proportions were between 66 and 70% v/v. The lipophilicity was expressed through different lipophilicity descriptors such as mean of k (mk), mean of log k (mlog k), log k(W), S, f() and scores of k and log k corresponding to the first principal component. The experimental lipophilicity indices are directly correlated with the computed values, via computer software and internet module, at a high analytical level. Furthermore, the results obtained applying principal component analysis to k and/or log k values allow the prediction and explanation of the interaction involved in the retention mechanism which takes place between the compounds and the employed stationary phases during the development.
authors: Faculty of Chemistry and Chemical Engineering, Babes-Bolyai University, Cluj Napoca, Romania.
authors: Rodica Domnica
authors: RD
authors: Briciu
authors: Agata
authors: A
authors: Kot-Wasik
authors: Jacek
authors: J
authors: Namiesnik
authors: Costel
authors: C
authors: Sârbu
mesh_terms: D000465:Algorithms; D002851:Chromatography, High Pressure Liquid / Q000295:instrumentation / Q000379:methods*; D005419:Flavonoids / Q000032:analysis*; D006801:Humans; D000432:Methanol / Q000737:chemistry; D025341:Principal Component Analysis / Q000379:methods*; D012984:Software; D014867:Water / Q000737:chemistry
chemical_list: D005419:Flavonoids; D014867:Water; D000432:Methanol