Computer-assisted method development and optimization in high-performance liquid chromatography.

T H Hoang; D Cuerrier; S McClintock; M Di Maso

doi:10.1016/s0021-9673(03)00206-1

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Computer-assisted method development and optimization in high-performance liquid chromatography.

T H Hoang·D Cuerrier·S McClintock·M Di Maso

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Abstract

This paper reports the use of DryLab, a computer simulation software package, to assist in the development and optimization of a reversed-phase high-performance liquid chromatographic (HPLC) method for the separation of a model drug candidate and its degradation products. Prior to the optimization process, columns with various bonded phases are evaluated for their chromatographic performance using the sample of interest. Simultaneous optimization of two separation variables and the use of resolution maps to predict the optimal conditions are illustrated. Options to optimize column conditions (column length and flow-rate) to further reduce run time are briefly discussed. The accuracy of DryLab-predicted retention times and resolution is compared with experimental values. The DryLab software used in this study provided satisfactory predictions for the selected model, with average errors of less than 3.5 and 11.8% for retention time and resolution, respectively.

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Chromatography, High Pressure Liquid Computer Simulation Journal Article

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T H Hoang, D Cuerrier, S McClintock, M Di Maso. 2003-04-04. Computer-assisted method development and optimization in high-performance liquid chromatography.. https://doi.org/10.1016/s0021-9673(03)00206-1

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