CALCULATION OF RETENTION IN REVERSED-PHASE LIQUID-CHROMATOGRAPHY .4. CHROMDREAM SOFTWARE FOR THE SELECTION OF INITIAL CONDITIONS AND FOR SIMULATING CHROMATOGRAPHIC BEHAVIOR

被引：38

作者：

GALUSHKO, SV

KAMENCHUK, AA

PIT, GL

机构：

[1] Institute of Bioorganic Chemistry and Oil Chemistry, Academy of Sciences of the Ukraine

来源：

JOURNAL OF CHROMATOGRAPHY A | 1994年 / 660卷 / 1-2期

关键词：

D O I：

10.1016/0021-9673(94)85098-4

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

A computer-aided method to assist the chromatographer in the determination of initial conditions in reversed-phase HPLC has been developed. ChromDream software predicts the optimum methanol, acetonitrile or tetrahydrofuran concentration in a mobile phase on the basis of the structural formulae of the compounds. The effects of the concentration of an organic solvent in water on retention and chromatograms of compound mixtures are simulated. Reversed-phase column parameters responsible for selectivity and retention are calculated. Volume and energy increments for more than 100 volume fragments and more than 30 bond dipoles have been derived. An approach for the selection of reference compounds for column calibration is proposed.

引用

页码：47 / 59

页数：13

共 21 条

[1]

BELOUSOV VP, 1983, TERMODINAMIKA VODNYK, P264

[2]

BUSHESWSKI B, IN PRESS SEP SCI TEC

[3] EXPERT SYSTEM FOR THE SELECTION OF HIGH-PERFORMANCE LIQUID-CHROMATOGRAPHIC METHODS IN PHARMACEUTICAL ANALYSIS - VALIDATION OF THE RULES FOR THE SELECTION OF THE MOBILE PHASE [J].