title: Near-infrared (NIR) prediction of trans-fatty acids in ground cereal foods.
abstract: Near-infrared (NIR) reflectance spectroscopy was evaluated as a rapid method for prediction of trans-fatty acid content in ground cereal products without the need for oil extraction. NIR spectra (400-2498 nm) of ground cereal products were obtained with a dispersive NIR spectrometer and correlated to trans- and cis-fatty acid content determined by a modification of AOAC Method 996.01. Partial least-squares regression and Marten's uncertainty test were applied to calculate models for prediction of trans-fatty acids using spectral regions affected by lipid absorption. The best model (n = 84) for trans-fat prediction used the 700-2498 nm region and second-derivative processing of spectra. When used to predict test samples (n = 27) the model had an RPD of 4.8 with a standard error of performance of 0.70% (range of 0.05-11.74%) and r(2) of 0.97. Optimum models for cis-fatty acids were developed with the 1100-2498 and 700-2498 nm ranges and had an RPD of 4.0. Regression coefficients indicated that useful absorbance for prediction of trans- and cis-fatty acids was in the overtone and combination regions for lipid absorption.
authors.affiliation: Agricultural Research Service, United States Department of Agriculture, Athens, Georgia 30604-5677, USA.
authors.forename: Yookyung
authors.initials: Y
authors.lastname: Kim
authors.forename: Sandra E
authors.initials: SE
authors.lastname: Kays
mesh_terms: D002523:Edible Grain / Q000737:chemistry*; D016018:Least-Squares Analysis; D015233:Models, Statistical; D012680:Sensitivity and Specificity; D019265:Spectroscopy, Near-Infrared; D044242:Trans Fatty Acids / Q000032:analysis*
chemical_list: D044242:Trans Fatty Acids