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RETENTION MODELING – A SHORTCUT IN DEVELOPMENT OF CHROMATOGRAPHIC METHODS

Nowadays global awareness about human’s influence on the environment is followed by various restrictive measures and more demanding legislatives in majority of developed countries, while the rest of the world is trying to follow this trend as well. Consequently, a list of priority pollutants (and their degradation products) is expending continuously, generating numerous new tasks for analytical-method developers. Also, real chromatographic samples contain matrices of diverse complexities what makes each sample specific and requires frequent modification of applied analytical methods. Application of mathematical modeling can reduce costs and experimental effort for the method development. In this presentation, the focus will be on development of chromatographic methods, based on modeling of analytes’ retention time. Most of retention models are focused on isocratic elution, while only a few ones are considering gradient elution as well. Although, indeed, the best peak-resolution can be obtained by using isocratic elution mode, the gradient mode has some significant benefits: first of all reduction of the analysis time. Therefore gradient elution has become inevitable chromatographic approach. So-called “iso-to-grad” model is able to equally predict retention time for isocratic or gradient elution mode and, moreover, it can include matrix effect as well. Adding an appropriate peak-shape function into the model or, in addition, combining it with quantitative structure-activity relationship methodology, an extremely beneficial tool for optimization of chromatographic separation can be obtained.

RETENTION MODELING ; METHOD DEVELOPMENT ; CHROMATOGRAPHY

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