A new metric for relating macroscopic chromatograms to microscopic surface dynamics: the distribution function ratio (DFR).

The Analyst
Logan D C BishopChristy F Landes

Abstract

Heterogeneous stationary phase chemistry causes chromatographic tailing that lowers separation efficiency and complicates optimizing mobile phase conditions. Model-free metrics are attractive for assessing optimal separation conditions due to the low quantity of information required, but often do not reveal underlying mechanisms that cause tailing, for example, heterogeneous retention modes. We report a new metric, which we call the Distribution Function Ratio (DFR), based on a graphical comparison between the chromatogram and Gaussian cumulative distribution functions, achieving correspondence to ground truth surface dynamics with a single chromatogram. Using a Monte Carlo framework, we show that the DFR can predict the prevalence of heterogeneous retention modes with high precision when the relative desorption rate between modes is known, as in during surface dynamics experiments. Ground truth comparisons reveal that the DFR outperforms both the asymmetry factor and skewness by yielding a one-to-one correspondence with heterogeneous retention mode prevalence over a broad range of experimentally realistic values. Perhaps of more value, we illustrate that the DFR, when combined with the asymmetry factor and skewness, can estima...Continue Reading

References

Sep 29, 2000·Analytical Chemistry·F DondiA Cavazzini
Oct 26, 2000·Journal of Chromatographic Science·A GergelyB Noszál
Jun 13, 2002·Journal of Chromatography. a·Zs Pápai, T L Pap
Oct 31, 2003·Journal of Chromatography. a·Fabrice GrittiGeorges Guiochon
Apr 15, 2005·Analytical Chemistry·Luisa PastiFrancesco Dondi
May 14, 2005·Analytical Chemistry·Attila FelingerMichel Martin
Nov 16, 2006·Annual Review of Physical Chemistry·Mary J Wirth, Michael A Legg
Nov 22, 2007·Lab on a Chip·Nicole Pamme
Jan 18, 2008·Journal of Chromatography. a·Attila Felinger
Nov 26, 2013·Journal of the American Chemical Society·Michael J SkaugDaniel K Schwartz
Jan 25, 2014·Proceedings of the National Academy of Sciences of the United States of America·Lydia KisleyChristy F Landes
Feb 18, 2014·Journal of Chromatography. a·Péter Vajda, Georges Guiochon
Apr 8, 2014·Analytical Chemistry·Dzmitry HlushkouUlrich Tallarek
Sep 5, 2014·Analytical Chemistry·Joshua N MabryDaniel K Schwartz
Mar 17, 2015·Journal of Pharmaceutical and Biomedical Analysis·Hongbin LiuYonghua Taylor Zhang
Apr 25, 2015·Analytical Chemistry·Gert DesmetKen Broeckhoven
May 15, 2015·The New England Journal of Medicine·Jerry Avorn
Nov 22, 2015·Clinical Chemistry·Fred E Lytle, Randall K Julian
Jan 12, 2017·Soft Matter·Jean-Mathieu VansonFrançois-Xavier Coudert
Jul 20, 2017·Physical Chemistry Chemical Physics : PCCP·Hao XuDaniel A Higgins
Sep 25, 2017·Langmuir : the ACS Journal of Surfaces and Colloids·Nicholas A MoringoChristy F Landes
Nov 2, 2017·Journal of Chromatography. a·Susanne SchweigerAlois Jungbauer
Mar 1, 2018·Annual Review of Physical Chemistry·Nicholas A MoringoChristy F Landes
Aug 23, 2018·Accounts of Chemical Research·Logan D C Bishop, Christy F Landes
Mar 5, 2019·Journal of Chromatography. a·Fabrice GrittiKevin Wyndham
Oct 30, 2019·Proceedings of the National Academy of Sciences of the United States of America·Nicholas A MoringoChristy F Landes
Jan 24, 2020·The Analyst·Marco Beccaria, Deirdre Cabooter

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Hantek 365
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