Tidsskrift : Journal of Chromatography A , vol. 1122 , p. 249–254 , 2006
Utgiver : Elsevier
Trykt : 0021-9673
Elektronisk : 1873-3778
Publikasjonstype : Vitenskapelig artikkel
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A recently introduced two-dimensional fatty acid retention index system (2D-FARI) was used as basis for prediction of equivalent chain lengths
(ECL) of fatty acid methyl esters (FAME) on a BPX-70 stationary phase. Models for the relationship between 2D-FARI data and ECL values
of a calibration sample with 30 common fatty acids were established by a simple multivariate regression. The models were thereafter applied on
2D-FARI data for other FAMEs and used to predict the ECLs for these compounds. The 2D-FARI values for the fatty acids in the calibration
sample are given by definition. Thus, the only information necessary to calculate the ECL value for a compound run under identical conditions
as the calibration sample is the 2D-FARI values for the compound, which can be acquired from literature data. The method was validated with
test sets analysed with different temperature and flow programs. ECLs of various marine FAME and trans isomers of Eicosapentaenoic and
Docosahexaenoic acid were predicted with root mean squared error of prediction from 0.002 to 0.012 ECL units.
© 2006 Elsevier B.V. All rights reserved.