Authors: J RuizJiménez F PriegoCapote M D Luque de Castro
Publish Date: 2006/07/01
Volume: 385, Issue: 8, Pages: 1532-1537
Abstract
A study of the feasibility of Fourier transform medium infrared spectroscopy FTmidIR for analytical determination of fatty acid profiles including trans fatty acids is presented The training and validation sets—75 102 samples and 25 36 samples of the samples once the spectral outliers have been removed—to develop FTmidIR general equations were built with samples from 140 commercial and homemade bakery products The concentration of the analytes in the samples used for this study is within the typical range found in these kinds of products Both sets were independent thus the validation set was only used for testing the equations The criterion used for the selection of the validation set was samples with the highest number of neighbours and the most separation between them H06 Partial least squares regression and cross validation were used for multivariate calibration The FTmidIR method does not require postextraction manipulation and gives information about the fatty acid profile in two min The 140 160 180 181 and 182 fatty acids can be determined with excellent precision and other fatty acids with good precision according to the Shenk criteria R 2≥090 SEP=1–15 SEL and R 2=070089 SEP=2–3 SEL respectively The results obtained with the proposed method were compared with those provided by the conventional method based on GCMS At 95 significance level the differences between the values obtained for the different fatty acids were within the experimental errorThe Spanish Ministerio Educación y Ciencia is gratefully acknowledged for financial support project No CTQ 200601614 J RuizJiménez and F PriegoCapote are also grateful to the Ministerio of Ciencia y Tecnología and to the Ministerio de Educación y Ciencia for an FPI and FPU scholarships respectively
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