engleski

MODELLING ASSISTED METHOD DEVELOPMENT OF HPLC ANALYSIS OF EMERGING CONTAMINANTS

Nowadays intensive pollution and lack of quality-water in many world areas globally awoke awareness about water importance. Therefore, many conventions, directives, and protocols related to better water management have been adopted during last several decades. These regulations indicated many new pollutants, what consequently initiate development of new analytical methods, most often chromatographic ones. Development of a new chromatographic method is often time-consuming process, especially when dealing with uncommon samples. Therefore, researchers are searching the paths to reduce time and efforts needed for method development ; this mostly relates to application of different mathematical models in simulation of chromatographic system behaviour. Nevertheless, many of developed models are limited by predefined elution conditions. Therefore, model able to simulate/predict chromatographic behaviour regardless the type of elution program, would be especially beneficial. One of such models, called iso-tograd model, has been developed and successfully tested, yet for eluents with single-competing species only. Thus, a new challenge was to extend the existing model on more complex eluents. In this work, “iso-to-grad” retention model was applied on a set of emerging contaminants (pesticides and pharmaceuticals) and HPLC with ternary eluent system, consisted of methanol, acetonitrile, and water, was used for the separation. Primary, the isocratic retention models were developed for each contaminant and, afterwards, the retention information was mathematically transferred into gradient environment. Developed models were validated and prediction abilities were tested on independent set of experimental data. Despite the fact that development of “iso-to-grad” model requires small number of experiments (minimal number of experiments equals the number of isocratic-model coefficients), the analysis showed very good retention prediction proving its applicability for complex eluents. Moreover, fast calculation of retention times indicate model’s potential to be used in scanning over large domain of diverse elution programs, in order to find elution mode that provides optimal separation.

MODELLING, METHOD DEVELOPMENT, HPLC ANALYSIS, EMERGING CONTAMINANTS

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