CZE/MEKC A capillary zone electrophoresis and micellar electrokinetic chromatography simulation program with scenario evaluations and automated optimization

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Description: An event-driven, capillary zone electrophoresis and micellar electrokinetic chromatography, simulation program (CZE/MEKC) has been coded and compiled using FutureBasic from STAZ Software, Inc. It runs on a Macintosh computer as a compiled, stand-alone, end-user application. As typical of the Macintosh environment, input windows prompt the user for complete column and buffer information (I) and analyte data (II). The required input of the two sets of data (I & II) comprise sufficient data such that CZE/MEKC can simulate the initial (original) electropherogram. Prior to initiating the simulation, which causes the creation of an electropherogram, the user generally selects one or more sources of band-broadening to be activated. The program contains algorithms that model virtually every type of band-broadening, such that an accurate peak shape and dispersion is nearly always achieved. CZE/MEKC can be used as a pedagogical instructional tool in three ways: (i) with the exception of ubiquitous longitudinal diffusion all other variances can be "turned off" such that the user can easily observe their deleterious effects, singly or in combination; (ii) as a Scenario Evaluator tool where CZE/MEKC will provide accurate electropherograms to "what if" scenarios: and (iii) as a hands-off automated search engine that finds the global optimum conditions over the user-specified parameter space for the analysis under investigation. Auto-Optimization offers to the user the ability to select up to six parameters to vary and then invokes a simultaneous, multi-parameter, optimization algorithm in its search to locate a true global optimum on the response surface. During the optimization the user may elect to have the electroosmotic mobility change according to changing parameters. Three different optimum search criteria are available to the user to guide the search engine. The electrophoretic mobilities of the analytes, as well as their diffusion coefficients, also change according to the viscosity and concentration of the buffer. CZE/MEKC provides user-friendly input screens, fast simulation times, and quick plotting of a realistic electropherogram.
Language: English
Format: Degree Work