The determination of conjugated linoleic acids (CLA) in cow milk fat was studied by using UV (210-250 nm) and Fourier transform (FT)-Raman (900-3400 cm (-1)) spectroscopy in order to determine the best spectrophotometric technique for routine analysis of milk fat. A collection of 57 milk fat samples was randomly divided into two sets, a calibration set and a validation set, representing two-thirds and one-third of the samples, respectively. All calculations were performed on the calibration set and then applied to the validation set. The CLA content ranged from 0.56 to 4.70%. A comparison of various spectral pretreatments and different multivariate calibration techniques, such as partial least-squares (PLS) and multiple linear regression (MLR), was done. This paper shows that UV spectroscopy is as reliable as FT-Raman spectroscopy to monitor CLA in cow milk fat. The best calibration for FT-Raman was given by a PLS model of seven factors with a standard error of prediction (SEP) of 0.246. For UV spectroscopy, PLS models were also better than MLR models. The most robust PLS model was constructed with only one factor and with SEP=0.288.
The potential of Fourier transform (FT)-Raman spectroscopy to quantify the total conjugated linoleic acid (CLA) content was evaluated to find a technique for the routine control of CLA synthesis by chemical procedures. The calibration and validation samples were obtained by photoisomerization of linoleic acid contained in soybean oil. The catalyst was iodine (I(2)), and the light source was the green line (514.5 nm) of an argon ion laser. The criteria to select the best partial least-squares (PLS) calibration model were a low standard error of prediction (SEP), a high correlation coefficient (R), and the selection of relevant variables of the Raman spectrum to reduce spectral interferences. The total CLA content of the 22 samples ranged from 0.05 to 3.28% of total lipids. The best PLS calibration model was obtained with three optimal factors, a SEP of 0.22, and a R of 0.97. This calibration model was obtained after baseline correction of the CC stretching region (1642-1680 cm(-1)), which contained sufficient spectral information for reliable CLA quantification.
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