Приказ основних података о документу

dc.creatorĐaković-Sekulić, Tatjana
dc.creatorSmolinski, Adam
dc.creatorMandić, Anamarija
dc.creatorLazić, Anita
dc.date.accessioned2021-03-10T13:50:17Z
dc.date.available2021-03-10T13:50:17Z
dc.date.issued2018
dc.identifier.issn0886-9383
dc.identifier.urihttp://TechnoRep.tmf.bg.ac.rs/handle/123456789/3992
dc.description.abstractLipophilicity has, for a long time, been recognized as a meaningful parameter in structure-activity relationships. It is also the single most informative physicochemical property that reveals a wealth of information on intermolecular forces, intramolecular interactions, and molecular structure in the broadest sense. In this paper, a total of 14 chromatographic measures of lipophilicity (thin-layer chromatography and high-performance liquid chromatography) and 11 computationally estimated logP-s for 21 newly synthesized 3-(4-substituted benzyl)-cycloalkylspiro-5-hidantoin derivatives have been investigated. Similarities among the investigated compounds as well as lipophilicity measures were examined by the multivariate exploratory analysis, principal component analysis, hierarchical cluster analysis, and sum of ranking differences. These chemometric approaches reveal the arrangement of investigated compounds into clusters according to lipophilicity. Chemometric consideration of lipophilicity renders principal component scores as entirely unsuitable lipophilicity measures. Furthermore, the logP values estimated from calibration graph by using a set of standard reference compounds were equivalent to the corresponding chromatographic descriptors of hydantoins extrapolated from linear relationship between retention parameters and mobile phase composition. Comparison of the 2 chromatographic techniques places high-performance liquid chromatography lipophilicity indices slightly ahead of thin-layer chromatography.en
dc.publisherWiley, Hoboken
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172013/RS//
dc.rightsrestrictedAccess
dc.sourceJournal of Chemometrics
dc.subjectHCAen
dc.subjectPCAen
dc.subjectspirohydantoinsen
dc.subjectSRDen
dc.titleChromatographic and in silico assessment of logP measures for new spirohydantoin derivatives with anticancer activityen
dc.typearticle
dc.rights.licenseARR
dc.citation.issue4
dc.citation.other32(4): -
dc.citation.rankM21
dc.citation.volume32
dc.identifier.doi10.1002/cem.2991
dc.identifier.scopus2-s2.0-85039159223
dc.identifier.wos000430668000002
dc.type.versionpublishedVersion


Документи

Thumbnail

Овај документ се појављује у следећим колекцијама

Приказ основних података о документу