New practical algorithm for modelling retention times in gradient reversed-phase high-performance liquid chromatography

被引:16
作者
Hendriks, G
Franke, JP
Uges, DRA
机构
[1] Pharma Biores Grp BV, NL-9407 AE Zuidlaren, Netherlands
[2] Univ Groningen, Ctr Pharm, Dept Pharmaceut Anal, NL-9700 AD Groningen, Netherlands
[3] Univ Groningen Hosp, Dept Pharm, Lab Drug Anal & Toxicol, NL-9700 RB Groningen, Netherlands
关键词
computer simulation; mobile phase composition; gradient elution; retention times; dwell volume; algorithm; modelling; LC-MS;
D O I
10.1016/j.chroma.2005.07.003
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
Computer models have been widely used to predict the chromatographic behaviour of liquid chromatography systems. With the introduction of mass spectrometric detection and the use of lower mobile phase flow rates with conventional LC equipment, the influence of the dwell volume on the shape of the gradient curve becomes an issue in predicting the retention times. A new straight forward algorithm is proposed for the modelling of retention times in reversed-phase LC, taking the effect of the dwell volume on the gradient shape into account. The results show that the dwell volume has a large effect at lower flow rates and on the retention times of the analytes eluting at the end of fast gradient curves. The proposed model is able to make reliable predictions and can be helpful in LC-MS method development. (c) 2005 Elsevier B.V. All rights reserved.
引用
收藏
页码:193 / 202
页数:10
相关论文
共 16 条
[1]   ION SPRAY INTERFACE FOR COMBINED LIQUID CHROMATOGRAPHY/ATMOSPHERIC PRESSURE IONIZATION MASS-SPECTROMETRY [J].
BRUINS, AP ;
COVEY, TR ;
HENION, JD .
ANALYTICAL CHEMISTRY, 1987, 59 (22) :2642-2646
[2]   Reversed-phase liquid chromatographic separation of complex samples by optimizing temperature and gradient time III. Improving the accuracy of computer simulation [J].
Dolan, JW ;
Snyder, LR ;
Wolcott, RG ;
Haber, P ;
Baczek, T ;
Kaliszan, R ;
Sander, LC .
JOURNAL OF CHROMATOGRAPHY A, 1999, 857 (1-2) :41-68
[3]   Maintaining fixed band spacing when changing column dimensions in gradient elution [J].
Dolan, JW ;
Snyder, LR .
JOURNAL OF CHROMATOGRAPHY A, 1998, 799 (1-2) :21-34
[4]   COMPUTER-SIMULATION OF HIGH-PERFORMANCE LIQUID-CHROMATOGRAPHIC SEPARATIONS OF PEPTIDE AND PROTEIN DIGESTS FOR DEVELOPMENT OF SIZE-EXCLUSION, ION-EXCHANGE AND REVERSED-PHASE CHROMATOGRAPHIC METHODS [J].
HODGES, RS ;
PARKER, JMR ;
MANT, CT ;
SHARMA, RR .
JOURNAL OF CHROMATOGRAPHY, 1988, 458 :147-167
[5]   SOLVOPHOBIC INTERACTIONS IN LIQUID-CHROMATOGRAPHY WITH NONPOLAR STATIONARY PHASES [J].
HORVATH, C ;
MELANDER, W ;
MOLNAR, I .
JOURNAL OF CHROMATOGRAPHY, 1976, 125 (01) :129-156
[6]   COMPUTER-SIMULATION OF GRADIENT ELUTION SEPARATION - ACCURACY OF PREDICTIONS FOR NONLINEAR GRADIENTS [J].
LISI, DD ;
STUART, JD ;
SNYDER, LR .
JOURNAL OF CHROMATOGRAPHY, 1991, 555 (1-2) :1-19
[7]  
LONGXING W, 2003, ANAL CHIM ACTA, V476, P123
[8]   Computerized design of separation strategies by reversed-phase liquid chromatography: development of DryLab software [J].
Molnar, I .
JOURNAL OF CHROMATOGRAPHY A, 2002, 965 (1-2) :175-194
[9]   MEASUREMENT AND USE OF RETENTION DATA FROM HIGH-PERFORMANCE GRADIENT ELUTION - CONTRIBUTIONS FROM NON-IDEAL GRADIENT EQUIPMENT [J].
QUARRY, MA ;
GROB, RL ;
SNYDER, LR .
JOURNAL OF CHROMATOGRAPHY, 1984, 285 (01) :1-18
[10]  
*RHEOD, DRYLAB MAN