Determination of edible oil parameters by near infrared spectrometry

A chemometric method has been developed for the determination of acidity and peroxide index in edible oils of different types and origins by using near infrared spectroscopy (NIR) measurements. Different methods for selecting the calibration set, after an hierarchical cluster analysis, were applied. After discrimination of olive oils from maize, seed and sunflower, the prediction capabilities of partial least squares (PLS) multivariate calibration of NIR data were evaluated. Several preprocessing alternatives (first derivative, multiplicative scatter correction, vector normalization, constant offset elimination, mean centering and standard normal variate) were investigated by using the root mean square error of validation (RMSEV) and prediction (RMSEP), as control parameters. Under the best conditions studied, the validation set provides RMSEP values of 0.034 and 0.037% (w/w) for acidity in (1) olive oil group and (11) sunflower, seed and maize oils group. RMSEP values for peroxide in both sample groups, expressed as mequiv. O-2 kg(-1), were, respectively 1.87 and 0.79. The limit of detection of the methodology developed was 0.03% for acidity in both groups of edible oils (I and II), and 0.9 and 0.8 mequiv. O-2 kg(-1) for peroxide in the olive oil and other edible oils groups, respectively. In fact, the methodology developed is proposed for direct acidity quantification and for the screening of peroxide index in edible oils, requiring less than 30 s per sample without any previous treatment. (c) 2007 Elsevier B.V. All rights reserved.