Structure-Retention Analysis of Some 1,6-anhydrohexose and D-aldopentose Derivatives by Linear Multivariate Approach

Autor:	Lidija R. Jevrić, Milica Ž. Karadžić, Sanja O. Podunavac Kuzmanović, Strahinja Z. Kovačević, Eva S. Lončar
Rok vydání:	2015
Předmět:	Multivariate statistics Chromatography Mathematical model Chemistry Clinical Biochemistry Statistical parameter Pharmaceutical Science Biochemistry Analytical Chemistry Hierarchical clustering Partition coefficient Molecular descriptor Principal component analysis Linear regression
Zdroj:	Journal of Liquid Chromatography & Related Technologies. 38:662-669
ISSN:	1520-572X 1082-6076
Popis:	Quantitative structure-retention relationships (QSRR) was developed for eleven 1,6-anhydrohexose and D-aldopentose derivatives using their retention data (RM0 values), obtained by normal phase (NP) thin-layer chromatography (TLC) and partition coefficients for n-octanol/water bi-phase system–logP. In order to select molecular descriptors that best describe the retention behavior of the investigated molecules, principal component analysis (PCA) was carried out, followed by hierarchical cluster analysis (HCA) and multiple linear regression (MLR). The best QSRR models were validated by leave-one-out technique and by the calculation of statistical parameters. Established mathematical models are meaningful and statistically significant and can successfully predict retention behavior of investigated 1,6-anhydrohexose and D-aldopentose derivatives.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::98089ee7e71f46bff2e54d9b14cff94e https://doi.org/10.1080/10826076.2014.936612 Zobrazit plný text záznamu Plný text ve formátu PDF Plný text ve formátu HTML
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