J. Iran. Chem. Soc., Vol. 7, No. 1 March 2010, pp.107~113.

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Multi-Linear Gradient Elution Optimization for Separation of Phenylthiohydantoin Amino Acids Using Pareto Optimality Method

M.R. Hadjmohammadi* and K. Kamel

Department of Chemistry, University of Mazandaran, Babolsar, Iran

Multi-linear gradient elution was applied for simultaneous optimization of resolution and analysis times for ten phenylthiohydantoin amino acids (PTH-AAs) in liquid chromatography. Relation of lnK upon for each analyte was determined using isocratic retention time data, and gradient retention time of analytes was predicted using fundamental equation of gradient elution. Then a grid search program was used to predict retention time of solutes in variable space. Two different chromatographic goals-analysis time and minimum difference between adjacent peaks- were simultaneously evaluated using Pareto optimality method. Gradient program in optimum condition was: initially 24% CH3OH/Water for 10 min, linear ramp to 34% over 5 min, to 29% over 5 min, and to 70% over 20 min. The average of calculated relative error in the prediction of the retention time in optimal conditions was -1.67% that shows a good agreement between predicted and experimental values of the chromatographic retention time in optimal condition.

Keywords: Multi-linear gradient elution, Optimization, Pareto optimality method, Phenylthiohydantoin amino acids, Separation

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