Rational optimization of the Whelk-O1 chiral stationary phase using molecular dynamics simulations

Journal of Chromatography A

Volumn 1216, Issue 32, 2009, Pages 5968-5978

  Zhao, C F ^a   Diemert, S ^a   Cann, N M ^a  

^a QUEEN S UNIVERSITY   (Canada)

Author keywords

Chiral recognition mechanism; Chiral stationary phase; Computer aided design; CSP optimization; HPLC; Molecular design; Molecular dynamics simulation; Whelk O1

Indexed keywords

CHIRAL RECOGNITION MECHANISM; CHIRAL STATIONARY PHASE; CSP OPTIMIZATION; HPLC; MOLECULAR DESIGN; MOLECULAR DYNAMICS SIMULATION; WHELK-O1;

AMIDES; CHROMATOGRAPHIC ANALYSIS; COMPUTER AIDED DESIGN; COMPUTER OPERATING PROCEDURES; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; MACHINE DESIGN; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; OPTIMIZATION; PHASE INTERFACES; POLYSACCHARIDES;

DYNAMICS;

AMIDE; CARBAMIC ACID DERIVATIVE; NAPROXEN; POLYSACCHARIDE;

AB INITIO CALCULATION; ARTICLE; CHIRAL STATIONARY PHASE; COMPUTER MODEL; ELUTION; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; PRIORITY JOURNAL; PROBABILITY; PROCESS OPTIMIZATION; SEPARATION TECHNIQUE; SIMULATION;

CHROMATOGRAPHY, HIGH PRESSURE LIQUID; COMPUTER SIMULATION; HYDROGEN BONDING; MODELS, CHEMICAL; MODELS, MOLECULAR; NAPROXEN; PHYSICOCHEMICAL PHENOMENA; STEREOISOMERISM; THERMODYNAMICS;

EID: 67650096867     PISSN: 00219673     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chroma.2009.06.041     Document Type: Article

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