title: Computer simulation for the simultaneous optimization of any two variables and any chromatographic procedure.
abstract: Computer software that allows the simulation of any chromatographic separation as a function of simultaneous changes in any one or two variables that can affect sample separation order (selectivity) is described. For one example, an application is described for the simultaneous variation of the mobile phase pH and gradient time in reversed-phase liquid chromatography. The accuracy of such predictions is examined for a sample mixture of 17 substituted benzoic acids and anilines, and requirements for an acceptable predictive accuracy are summarized. In a second example, the separation of three peptides by capillary electrophoresis is optimized.
authors.affiliation: Department of Biopharmaceutics and Pharmacodynamics, Medical University of Gdansk, Poland.
authors.forename: P
authors.initials: P
authors.lastname: Haber
authors.forename: T
authors.initials: T
authors.lastname: Baczek
authors.forename: R
authors.initials: R
authors.lastname: Kaliszan
authors.forename: L R
authors.initials: LR
authors.lastname: Snyder
authors.forename: J W
authors.initials: JW
authors.lastname: Dolan
authors.forename: C T
authors.initials: CT
authors.lastname: Wehr
mesh_terms: D001565:Benzoates / Q000302:isolation & purification; D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D003198:Computer Simulation; D006863:Hydrogen-Ion Concentration; D015203:Reproducibility of Results
chemical_list: D001565:Benzoates