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@proceedings{2219878, author = {Šmak, Pavel and Gregorová, Jana and Kubinyiová, Lenka and Štingl, Jan and Peš, Ondřej}, booktitle = {23. Ročník školy hmotnostní spektrometrie}, keywords = {chromatography; method optimization; reversed-phase chromatography}, language = {eng}, isbn = {978-80-88195-25-2}, title = {Chromatographic modeling as a tool in optimizing reversed-phase separation methods}, url = {http://skolams2022.spektroskopie.cz/files/sbornik_abstraktu_final.pdf}, year = {2022} }
TY - CONF ID - 2219878 AU - Šmak, Pavel - Gregorová, Jana - Kubinyiová, Lenka - Štingl, Jan - Peš, Ondřej PY - 2022 TI - Chromatographic modeling as a tool in optimizing reversed-phase separation methods SN - 9788088195252 KW - chromatography KW - method optimization KW - reversed-phase chromatography UR - http://skolams2022.spektroskopie.cz/files/sbornik_abstraktu_final.pdf N2 - Gradient elution can significantly enhance the separation in terms of the run time and peaks’ shape in HPLC. However, optimizing a gradient elution method can be a laborious process, especially if a larger number of compounds, significantly differing in the chromatographic behavior, needs to be separated. Multiple approaches are employed in order to obtain an ideal gradient composition over time – ranging from the “trial and error” methods to complex mathematical models. These models often rely on the Snyder’s equation and its modifications. In a typical setup, two or more separations are initially performed, and the results are fed to a software analysis tool, which tries to predict ideal conditions for the current system. Up to date available software tools for gradient run optimization lack either financial affordability or a feature-rich interface. A software tool developed in Python was developed, tested, and will be presented. ER -
ŠMAK, Pavel, Jana GREGOROVÁ, Lenka KUBINYIOVÁ, Jan ŠTINGL a Ondřej PEŠ. Chromatographic modeling as a tool in optimizing reversed-phase separation methods. In \textit{23. Ročník školy hmotnostní spektrometrie}. 2022. ISBN~978-80-88195-25-2.
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