20.500.12556/DKUM-36207 Chiral discrimination in mobile phases for HPLC In this paper we present an algorithm and some preliminary results of a computer simulation study designed to elucidate the molecular interaction mechanisms associated with chiral discrimination in chiral high performance liquid chromatography (HPLC). Molecular dynamics simulations have been performed on a novel active stationary phase constituent based on disaccharides and a model analyte in a typical solvent used as mobile phase in chiral HPLC. The results are interpreted in terms of typical binding geometries and energies found from the simulations. This paper provides basic algorithms for predicting enantiometric selectivity and for investigating the implications for choice of parameters such as solvent polarity and temperature for optimising chiral HPLC separations physical chemistry liquid crystals liquid chromatography computer simulations spectroscopy fizikalna kemija analitska kemija kromatografija računalniške simulacije spektroskopija true true false Angleški jezik Slovenski jezik Članek v reviji 2012-06-07 13:01:52 2012-06-07 13:01:52 2024-02-22 10:17:32 2019-07-10 14:05:03 2002 0 0 0000-00-00 NiDoloceno NiDoloceno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 004.94:538.9 11562760 0167-7322 URN:SI:UM:DK:YPUKEMVP http://www.elsevier.com/locate/jnlabr/molliq 1 https://dk.um.si/Dokument.php?lang=slv&id=47270 Pedagoška fakulteta 0 0 0