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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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