Assessment of the orthogonality in two-dimensional separation systems using criteria defined by the maximal information coefficient

Journal of Chromatography. a
Ahmad Mani-Varnosfaderani, Mostafa Ghaemmaghami

Abstract

A novel method based on the maximal information coefficient (MIC) is developed to assess the orthogonality of comprehensive two-dimensional separation systems. The proposed method is based on a modification of Marriott's method, which was previously reported in 2013. Marriott's method relies on the calculation of two separate parameters. The first term is Cpert which defines the peak coverage percent in separation space, and the second is Cpeaks which corresponds to 2-D distribution correlation of the peaks. Marriott's method for estimating the values of Cpeaks is based on the calculation of the coefficient of determination (R(2)) between the retention indices of the peaks. Herein, we present some examples where R(2) is an inefficient way to estimate the values of Cpeaks. The results in this work illustrate that when there are either functional or non-functional local dependencies between the distributions of the peaks, R(2) values fail to thoroughly estimate the values of Cpeaks. We proposed using the MIC instead of R(2) to estimate the values of Cpeaks for orthogonality calculations. Simulations of comprehensive two-dimensional gas chromatograms were performed using the Abraham solvation parameter model in order to generate e...Continue Reading

References

Jul 25, 2003·Journal of Chromatography. a·Jens DallügeUdo A Th Brinkman
Jun 25, 2004·Journal of Chromatography. a·Michael H AbrahamAndreas M Zissimos
Oct 1, 2005·Analytical Chemistry·Martin GilarJohn C Gebler
Jan 22, 2008·Journal of Chromatography. a·M AdahchourU A Th Brinkman
Aug 9, 2008·Journal of Chromatography. a·John V SeeleyStacy K Seeley
Sep 23, 2008·Journal of Chromatography. a·Petr CeslaPavel Jandera
Oct 28, 2009·Journal of Chromatography. a·Eufrozina A HoffmannTamás Körtvélyesi
Aug 27, 2010·Environmental Science & Technology·Paul C M van NoortJohn R Parsons
Jun 5, 2013·Analytical Chemistry·Zhong-Da ZengPhilip J Marriott
Jun 25, 2013·Analytical Chemistry·Di ChenXudong Fan
Dec 4, 2014·Journal of Chromatography. a·Peter Q TranchidaLuigi Mondello

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Citations

Apr 25, 2020·Computational and Mathematical Methods in Medicine·Canyi HuangJigen Luo
Feb 26, 2020·Journal of Separation Science·Tijmen S BosBob W J Pirok
Jan 11, 2020·Critical Reviews in Analytical Chemistry·John Mommers, Sjoerd van der Wal

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