title: Displacement chromatography with on-column isomerization.
abstract: Displacement chromatography was simulated for the separation of two feed components interconverting by a reversible first order reaction and with Langmuirian adsorption behavior. The study was prompted by recent interest in the isolation of cis and trans forms of peptides containing one or more peptidyl-proline residues when the isomerization reaction interferes with the separation. The parameter values used in the simulations are similar to those found experimentally by reversed-phase chromatography and capillary electrophoresis of phenylalanine-proline dipeptide. From the concentration profiles computed by the finite difference scheme, the dependence of both the yield and production rate on the temperature, column length, flow velocity and displacer concentration was evaluated. The most important operational variable of the system is the temperature as it affects both the kinetic and adsorption parameters. The yield and production rate of the component of interest were evaluated as a function of the column length and displacer concentration under conditions that facilitate its efficient separation and the plots show an optimum. Nonetheless, optimal conditions for yield and production rate were considerably different. In the temperature range from 2 to 42 degrees C, the yield always decreases with increasing temperatures and for all the cases, optimum yield by displacement mandates the use of conditions such as pH, solvent and temperature under which the rate of interconversion is reduced to a level where it does not palpably interfere with the separation. On the other hand, under certain conditions optimal production rate can be obtained at higher temperatures.
authors.affiliation: Department of Chemical Engineering, Yale University, New Haven, CT 06520, USA.
authors.forename: A S
authors.initials: AS
authors.lastname: Rathore
authors.forename: C
authors.initials: C
authors.lastname: Horváth
mesh_terms: D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D003198:Computer Simulation; D004151:Dipeptides / Q000032:analysis*; D019075:Electrophoresis, Capillary / Q000379:methods*; D007700:Kinetics; D008956:Models, Chemical; D013237:Stereoisomerism; D013696:Temperature
chemical_list: D004151:Dipeptides