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

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 reversed 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, t(r) (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.