Publikace detail

Numerical optimization of gradient separations in RP and HILIC using non-linear retention models

Autoři: Česla Petr | Kubát Miroslav | Tošovská Barbora | Mrvková Sára | Holá Kristýna

Rok: 2024

Druh publikace: ostatní - přednáška nebo poster

Strana od-do: nestránkováno

Tituly:

Jazyk	Název	Abstrakt	Klíčová slova
eng	Numerical optimization of gradient separations in RP and HILIC using non-linear retention models	Gradient elution in liquid chromatography is a highly effective tool for increasing peak capacity, improving analyte resolution and enhancing quantitative characteristics of developed methods. To optimize the gradient profile, window diagram approach can be used, based on retention modeling under isocratic conditions. For compounds which exhibit non-linear retention behavior in dependency on mobile phase composition - typically convex dependencies of logarithms of retention factors on volume fraction of organic solvent in mobile phases are observed - the retention models cannot be simply integrated for calculation of gradient retention data. In this case, either empirical model suitable for explicit integration must be applied, or numerical integration must be used for calculation of gradient retention data. In our previous work, we have shown that for both reversed phase separations and hydrophilic interaction liquid chromatography, the non-linear isocratic retention behavior can be solved in gradient optimization using window diagram approach. In current work, both approaches are compared and extended for the optimization of ternary mobile phases containing various combinations of acetonitrile and methanol in HILIC mobile phases for fine tuning of separation selectivity in uni- and two-dimensional separation methods.

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