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Prediction of naturally-occurring, industrially-induced and total trans fatty acids in butter, dairy spreads and Cheddar cheese using vibrational spectroscopy and multivariate data analysis
Zhao, Ming Beattie, Renwick J. Fearon, A.M. O'Donnell, Colm P. Downey, Gerard
Zhao, Ming
Beattie, Renwick J.
Fearon, A.M.
O'Donnell, Colm P.
Downey, Gerard
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08/08/2015
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Ming Zhao, Renwick J. Beattie, Anna M. Fearon, Colm P. O'Donnell, Gerard Downey, Prediction of naturally-occurring, industrially-induced and total trans fatty acids in butter, dairy spreads and Cheddar cheese using vibrational spectroscopy and multivariate data analysis. International Dairy Journal, 2015, 51, 41-51. DOI: 10.1016/j.idairyj.2015.07.011
Abstract
This study investigated the use of vibrational spectroscopy [near infrared (NIR), Fourier-transform mid-infrared (FT-MIR), Raman] and multivariate data analysis for (1) quantifying total trans fatty acids (TT), and (2) separately predicting naturally-occurring (NT; i.e., C16:1 t9; C18:1 trans-n, n = 6 … 9, 10, 11; C18:2 trans) and industrially-induced trans fatty acids (IT = TT – NT) in Irish dairy products, i.e., butter (n = 60), Cheddar cheese (n = 44), and dairy spreads (n = 54). Partial least squares regression models for predicting NT, IT and TT in each type of dairy product were developed using FT-MIR, NIR and Raman spectral data. Models based on NIR, FT-MIR and Raman spectra were used for the prediction of NT and TT content in butter; best prediction performance achieved a coefficient of determination in validation (R2V) ∼ 0.91–0.95, root mean square error of prediction (RMSEP) ∼ 0.07–0.30 for NT; R2V ∼ 0.92–0.95, RMSEP ∼ 0.23–0.29 for TT.