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

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...

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Main Authors: Podunavac-Kuzmanović Sanja O., Jevrić Lidija R., Tepić Aleksandra N., Šumić Zdravko
Format: Article
Language:English
Published: Association of Chemical Engineers of Serbia 2013-01-01
Series:Hemijska Industrija
Subjects:
Online Access:http://www.doiserbia.nb.rs/img/doi/0367-598X/2013/0367-598X1300010P.pdf
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author Podunavac-Kuzmanović Sanja O.
Jevrić Lidija R.
Tepić Aleksandra N.
Šumić Zdravko
author_facet Podunavac-Kuzmanović Sanja O.
Jevrić Lidija R.
Tepić Aleksandra N.
Šumić Zdravko
author_sort Podunavac-Kuzmanović Sanja O.
collection DOAJ
description 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]
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spelling doaj.art-af2b82a0df394de096eb71f2b990bec82022-12-22T03:11:58ZengAssociation of Chemical Engineers of SerbiaHemijska Industrija0367-598X2217-74262013-01-0167693394010.2298/HEMIND121015010P0367-598X1300010PReversed-phase HPLC retention data in correlation studies with in lipophilicity molecular descriptors of carotenoidsPodunavac-Kuzmanović Sanja O.0Jevrić Lidija R.1Tepić Aleksandra N.2Šumić Zdravko3Faculty of Technology, Novi SadFaculty of Technology, Novi SadFaculty of Technology, Novi SadFaculty of Technology, Novi SadInfluence 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]http://www.doiserbia.nb.rs/img/doi/0367-598X/2013/0367-598X1300010P.pdfcarotenoidsRP HPLClipophilicityQSRR
spellingShingle Podunavac-Kuzmanović Sanja O.
Jevrić Lidija R.
Tepić Aleksandra N.
Šumić Zdravko
Reversed-phase HPLC retention data in correlation studies with in lipophilicity molecular descriptors of carotenoids
Hemijska Industrija
carotenoids
RP HPLC
lipophilicity
QSRR
title Reversed-phase HPLC retention data in correlation studies with in lipophilicity molecular descriptors of carotenoids
title_full Reversed-phase HPLC retention data in correlation studies with in lipophilicity molecular descriptors of carotenoids
title_fullStr Reversed-phase HPLC retention data in correlation studies with in lipophilicity molecular descriptors of carotenoids
title_full_unstemmed Reversed-phase HPLC retention data in correlation studies with in lipophilicity molecular descriptors of carotenoids
title_short Reversed-phase HPLC retention data in correlation studies with in lipophilicity molecular descriptors of carotenoids
title_sort reversed phase hplc retention data in correlation studies with in lipophilicity molecular descriptors of carotenoids
topic carotenoids
RP HPLC
lipophilicity
QSRR
url http://www.doiserbia.nb.rs/img/doi/0367-598X/2013/0367-598X1300010P.pdf
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AT tepicaleksandran reversedphasehplcretentiondataincorrelationstudieswithinlipophilicitymoleculardescriptorsofcarotenoids
AT sumiczdravko reversedphasehplcretentiondataincorrelationstudieswithinlipophilicitymoleculardescriptorsofcarotenoids