Theoretical model and Monte Carlo simulation for the enantioseparation of (±)-chlorpheniramine-beta-cyclodextrin system

G. ACOSTA; R. GOMEZ; V. BUSTOS; V. D. PEREYRA

Sevilla, España

Simposio; 15th Latin American Symposium on Biotechnology, Biomedical, Biopharmaceutical and Industrial Applications of Capillary Electrophoresis and Microchip Technology (LACE 2009); 2009

Universidad CEU-San Pablo

A theoretical model and Monte Carlo simulation scheme were developed to study the enantioseparation of (+/-)-chlorpheniramine with beta -cyclodextrin (beta -CD) using capillary electrophoresis (CE). Three set of isotherms were used to determine the binding constants and the apparent mobilities of both temporary diasteromeric complexes between the chiral selector and both enantiomers. The binding constants (K_R, K_S) and the mobilities (m_CR, m_CS) of the diasteromeric complexes can be obtained simultaneously by plotting the difference in the apparent electrophoretic mobility of the enantiomers (Dm), the enantioresolution (R) and the enantioselectivity (alfa) versus the chiral selector concentration. Based on the temperature dependence of the binding constants a thermodynamic interpretation is also presented. The experimental data are in excellent agreement with those obtained by the theoretical and the simulation models.