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A comparison of structural–functional equation models to identify fatty acids on three common gas chromatography columns

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Abstract

Reported herein is a series of new structural–functional relationship equations which provide relevant structural information of unknown fatty acid methyl esters (double-bonds, chain-length, and omega-bond position) based upon temperature induced shifts in equivalent chain length's (ECLs). The induced ECL changes were accomplished upon two cyanoalkyl (Supelco SP-2560, fast GC; Varian Factor 4, VF-23) and one stabilised PEG column (Innowax). Regression on this data-set permitted the development of classical linear equations. To calculate the ECL values, bracketing saturated fatty acid methyl esters (FAMEs) were run in the same admixture as the unsaturated FAMEs. The equations developed for each of the three columns are demonstrated to have varying capacity to accurately identify the chain-length, double-bond number and omega-bond position.

Graphical abstract: A comparison of structural–functional equation models to identify fatty acids on three common gas chromatography columns

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Publication details

The article was received on 18 Oct 2017, accepted on 21 Nov 2017 and first published on 05 Dec 2017


Article type: Paper
DOI: 10.1039/C7AY02456H
Citation: Anal. Methods, 2018, Advance Article
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    A comparison of structural–functional equation models to identify fatty acids on three common gas chromatography columns

    A. T. L. Wotherspoon, K. L. Reeves and J. Crawford, Anal. Methods, 2018, Advance Article , DOI: 10.1039/C7AY02456H

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