Reversed-phase HPLC retention data in correlation studies with lipophilicity molecular descriptors of carotenoids

Abstract

Influence of chemical structure on the lipophilicity of isolated free carotenoids from paprika oleoresin was studied by a quantitative structure-retention relationship (QSRR) approach. The chromatographic behavior of these compounds was investigated by rever-sed phase high-pressure liquid chromatography (RP HPLC). The retention mechanism was determined using acetone-water as the mobile phase on a reversed-phase column (SB-C18). A variety of lipophilicity parameters (log P) were calculated using different software products. Based on the correlations, nonlinear structure-activity models were derived between the retention constants, tr (retention time of investigation compounds) and log P values. Five high quality QSRR models were found to have a good predictive ability and close agreement between experimental and predicted values. The study showed that the retention constants can be used as a measure of lipophilicity of investigated compounds at a high significant level.