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

Autor: Zdravko Sumic, N Aleksandra Tepic, O Sanja Podunavac-Kuzmanovic, R Lidija Jevric
Rok vydání: 2013
Předmět:
Zdroj: Hemijska Industrija, Vol 67, Iss 6, Pp 933-940 (2013)
Hemijska industrija (2013) 67(6):933-940
ISSN: 2217-7426
0367-598X
Popis: Influence of chemical structure on the lipophilicity of isolated free carotenoids from paprika oleoresin has been studied by QSRR approach (Quantitative structure-retention relationship). The chromatographic behavior of these compounds was investigated by using reversed phase high-pressure liquid chromatography (RP HPLC). Retention mechanism has been determined using the following mobile phase: acetone -water, on reversed - phase column (SB-C18). A variety of lipophilicity parameters (logP) were calculated by use of different software products. On the basis of correlations, the nonlinear structure-activity models were derived between the retention constants, tr (retention time of investigation compounds), and logP 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. [Projekat Ministarstva nauke Republike Srbije, br. 172012, br. 172014 i br. 31055]
Databáze: OpenAIRE