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Enantioseparation of Four Organophosphonate Derivatives on N ‐(3,5‐Dinitrobenzoyl)‐ l ‐leucine– n ‐Propylamide Stationary Phase by Molecular Modeling
Author(s) -
Liu Bing,
Zhou Yong,
Yang GuoSheng,
AboulEnein Hassan Y.
Publication year - 2013
Publication title -
chirality
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.43
H-Index - 77
eISSN - 1520-636X
pISSN - 0899-0042
DOI - 10.1002/chir.22117
Subject(s) - chemistry , enantiomer , chirality (physics) , chiral stationary phase , molecular model , molecular dynamics , stereochemistry , docking (animal) , phase (matter) , chiral derivatizing agent , stereoisomerism , chiral column chromatography , leucine , computational chemistry , combinatorial chemistry , molecule , amino acid , organic chemistry , biochemistry , chiral symmetry , physics , quantum mechanics , nambu–jona lasinio model , quark , medicine , nursing
Four groups of organophosphonate derivatives enantiomers were separated on N ‐(3,5‐dinitrobenzoyl)‐ S ‐leucine chiral stationary phase. The three‐dimensional structures of the complexes between the single enantiotopic chiral compounds and chiral stationary phase have been studied using molecular model and molecular dynamics simulation. Detailed results regarding the conformation, auto‐docking, and thermodynamic estimation are presented. The elution order of the enantiomer could be determined from the energy. The predicted chiral discrimination was obtained by computational results. Chirality 25:101–106, 2013 . © 2012 Wiley Periodicals, Inc.