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Rapid Prediction of Fatty Acid Content in Marine Oil Omega-3 Dietary Supplements Using a Portable Fourier Transform Infrared (FTIR) Device and Partial Least-Squares Regression (PLSR) Analysis

Karunathilaka, Sanjeewa R., Mossoba, Magdi M., Chung, Jin Kyu, Haile, Ermias A., Srigley, Cynthia T.
Journal of agricultural and food chemistry 2017 v.65 no.1 pp. 224-233
Fourier transform infrared spectroscopy, cost effectiveness, dietary supplements, docosahexaenoic acid, eicosapentaenoic acid, fatty acid composition, gas chromatography, least squares, models, oils, prediction, quality control, quantitative analysis, rapid methods
Using a portable field device, a Fourier transform infrared spectroscopy (FTIR) and partial least-squares regression (PLSR) method was developed for the rapid (<5 min) prediction of major and minor fatty acid (FA) concentrations in marine oil omega-3 dietary supplements. Calibration models were developed with 174 gravimetrically prepared samples. These models were tested using an independent validation set of dietary supplements. FAs analyzed included eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA); the sums of saturated, branched-chain, and monounsaturated FAs; and n-6, n-4, n-3, n-1, and trans polyunsaturated FA. The spectral ranges 650–1500 or 650–1500 and 2800–3050 cm–¹ provided reliable predictions for FA components in 34 neat oil products: standard error of prediction, 0.73–1.58%; residual predictive deviation, 6.41–12.6. This simple, nondestructive quantitative method is a rapid screening tool and a time and cost-saving alternative to gas chromatography for verifying label declarations and in quality control.