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dc.creatorRabtti, El Hadi M. A.
dc.creatorNatić, Maja
dc.creatorMilojković-Opsenica, Dušanka
dc.creatorTrifković, Jelena
dc.creatorVučković, Ivan
dc.creatorVajs, Vlatka
dc.creatorTešić, Živoslav
dc.date.accessioned2019-04-27T09:30:11Z
dc.date.available2019-04-27T09:30:11Z
dc.date.issued2012
dc.identifier.issn0103-5053
dc.identifier.urihttp://cer.ihtm.bg.ac.rs/handle/123456789/2726
dc.description.abstractThe lipophilic character of twelve coumarins was investigated by reversed-phase thin-layer chromatography (RP TLC) on RP-18 silica. The three different binary solvent systems composed of water and organic modifier (methanol, tetrahydrofuran or acetonitrile) were used in order to determine retention parameter (R-M(0)) and octanol-water partition coefficient (log P-OW) as a measure of the lipophilicity of the tested compounds. Lipophilicity parameter (log P-OW) was experimentally determined using eight standard solutes with known log P-OW values which were analyzed under the same chromatographic conditions as the target substances. Lipophilicity parameters together with 2D molecular descriptors were subjected to the multivariate statistical analysis (principal component analysis (PCA) and partial least square (PLS) regression) in order to reveal the most influential factors governing the retention, i.e., lipophilicity of the investigated compounds. The quantitative structure-retention relationship models reveal the importance of descriptors which describe the size and the shape of the molecule as well as their polar properties.en
dc.publisherSoc Brasileira Quimica, Sao Paulo
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172017/RS//
dc.rightsopenAccess
dc.sourceJournal of the Brazilian Chemical Society
dc.subjectcoumarinsen
dc.subjectlipophilicityen
dc.subjectquantitative structure-retention relationshipsen
dc.subjectprincipal component analysisen
dc.subjectpartial least squareen
dc.titleRP TLC-Based Lipophilicity Assessment of Some Natural and Synthetic Coumarinsen
dc.typearticle
dc.rights.licenseBY
dcterms.abstractВајс, Влатка; Тешић, Живослав Љ.; Рабтти, Ел Хади М. A.; Натић, Маја; Милојковић-Опсеница, Душанка; Трифковић, Јелена; Вучковић, Иван М.;
dc.citation.volume23
dc.citation.issue3
dc.citation.spage522
dc.citation.other23(3): 522-530
dc.citation.rankM23
dc.identifier.fulltexthttp://cer.ihtm.bg.ac.rs//bitstream/id/8940/2753.pdf
dc.identifier.scopus2-s2.0-84859045039
dc.identifier.wos000302461200020
dc.type.versionpublishedVersion


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