High-throughput automated post-processing of separation data

Journal of Chromatography. a
Jonathan G ShackmanRobert T Kennedy

Abstract

The development of an efficient method for high-throughput analysis of multiple electropherograms or chromatograms collected in series is presented. The method, encoded in a computer program designated "Cutter", utilizes batch processing for determining chromatographic figures of merit (CFOM) including peak centroid times, heights, areas, signal-to-noise ratios (S/N), variance (sigma2), skew, excess, and plate number (N) across a set of separations collected serially. The software was validated using simulated data with varying S/N, skew, and excess. The accuracy of the analysis was comparable to or improved over commercial software with area calculation relative errors (RE) below 5% for simulated data with S/N = 5. File sets containing 1300 electropherograms were analyzed in 5 min, representing a nearly 200-fold reduction in analysis time from other methods. Incorporated within the program is a novel method for automated peak deconvolution using an Empirically Transformed Gaussian function. Area measurements of deconvoluted peaks were within 3% of the true value of a simulated data set with S/N = 5 and resolution (R(S)) = 1 for equivalent peaks, and within 10% when the ratio of the overlapped peak heights was 10:1.

References

May 18, 2001·Journal of Chromatography. a·A Felinger, G Guiochon
Oct 30, 2001·Journal of Chromatography. a·T L Pap, Z S Pápai

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Citations

Jan 31, 2012·Analytical and Bioanalytical Chemistry·Jonathan G ShackmanRobert T Kennedy
May 23, 2006·Journal of the American Society for Mass Spectrometry·David L TabbGregory B Hurst
Mar 21, 2008·Analytical Chemistry·Bryan R Fonslow, Michael T Bowser
Jun 13, 2008·Analytical Chemistry·Meng WangRobert T Kennedy
Apr 9, 2010·Analytical Chemistry·Ryan T TurgeonMichael T Bowser
Sep 29, 2011·Lab on a Chip·Meng Jing, Michael T Bowser
Jul 12, 2014·Journal of the American Society for Mass Spectrometry·Paul M FlaniganRobert J Levis
Sep 30, 2014·Journal of Chromatography. a·Nikita MukhitovMichael G Roper
Aug 17, 2010·Journal of Pharmacological and Toxicological Methods·Chandni A VyasJonathan G Shackman
Sep 15, 2010·Journal of Pharmaceutical and Biomedical Analysis·Jennifer M CunliffeJim X Shen
Oct 27, 2015·Analytical Chemistry·Matthew GeigerMichael T Bowser
Jul 6, 2006·The European Journal of Neuroscience·B Jill VentonStephen Maren
Jun 18, 2011·Journal of Neurochemistry·Christopher J WatsonHelen A Baghdoyan
Dec 3, 2016·Expert Opinion on Drug Discovery·Claire M OuimetRobert T Kennedy
Jul 4, 2018·The Analyst·Kathy RodogiannisMichelle L Kovarik
May 8, 2007·Electrophoresis·Jennifer M CunliffeRobert T Kennedy
Jan 17, 2009·Electrophoresis·Peilin YangRobert T Kennedy
Feb 8, 2006·Mass Spectrometry Reviews·Melanie HilarioMarkus Müller
Dec 5, 2015·Analytical and Bioanalytical Chemistry·Erik D GuetschowRobert T Kennedy

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