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dc.creatorObradović, Darija
dc.creatorOljačić, Slavica
dc.creatorNikolić, Katarina
dc.creatorAgbaba, Danica
dc.date.accessioned2019-09-02T12:10:48Z
dc.date.available2019-09-02T12:10:48Z
dc.date.issued2019
dc.identifier.issn0021-9673
dc.identifier.urihttp://farfar.pharmacy.bg.ac.rs/handle/123456789/3332
dc.description.abstractInvestigation of the retention behavior of a wide range of analytes, 43 nitrogen containing heterocyclic and guanidine derivatives such, as imidazoline and serotonin receptor ligands or their related compounds. was performed on mixed-mode stationary phase in the combined reversed-phase (RP) and hydrophilic interaction liquid chromatography (HILIC) modes. Suitability of the linear retention modelling in the HILIC and RP modes was tested including separate contributions from adsorption and partition. For the HILIC retention, the partition model was found to provide better description compared with the adsorption model. In a wider range of the aqueous eluent volume fractions, phi(aq), retention was described as a function of volume fractions and total polarity of mobile phase using the mixed-mode retention modelling. The obtained results revealed that the shift of the chromatographic mode can be calculated from the change of total polarity of mobile phase in a multimodal relation, logarithm of retention factor vs. total polarity, with the minimum value representing the turning point between the HILIC and the RP mode. Molecular properties of the investigated compounds that influence the retention behavior and the turning point were selected using Multiple Linear Regression (MLR) and Support Vector Machine (SVM). Slightly better statistical results were found for the logk(w)(RP)(aq)/MLR, logk(w)(HILIC) (org)/MLR, logk(b)(HILIC)(aq)/MLR, and phi(min) (aq)/SVM (RBF) QSRR models than for the logk(w)(RP)(aq)/SVM, logk(w)(NILIC)(org)/SVM, logk(b)(HILIC)(aq)/SVM. and phi(min)(aq)/MLR modelling. With this insight, it is possible to precisely define and predict the retention characteristics based on physicochemical properties of imidazoline and piperazine related compounds.en
dc.publisherElsevier Science BV, Amsterdam
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172033/RS//
dc.rightsrestrictedAccess
dc.sourceJournal of Chromatography A
dc.subjectReversed-phase high performance liquid chromatographyen
dc.subjectHydrophilic interaction liquid chromatographyen
dc.subjectTurning pointen
dc.subjectMixed-mode stationary phaseen
dc.subjectRetention mechanismen
dc.subjectTotal polarity of mobile phaseen
dc.titleInvestigation and prediction of retention characteristics of imidazoline and serotonin receptor ligands and their related compounds on mixed-mode stationary phaseen
dc.typearticle
dc.rights.licenseARR
dcterms.abstractAгбаба, Даница; Ољачић, Славица; Николић, Катарина; Обрадовић, Дарија;
dc.citation.volume1585
dc.citation.spage92
dc.citation.epage104
dc.citation.other1585: 92-104
dc.citation.rankM21
dc.identifier.wos000457507100010
dc.identifier.doi10.1016/j.chroma.2018.11.051
dc.identifier.pmid30553503
dc.identifier.scopus2-s2.0-85058190580
dc.identifier.rcubconv_4310
dc.type.versionpublishedVersion


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