Use of FTIR and UV–visible spectroscopy in determination of chemical characteristics of olive oils

Abstract

It was aimed to predict fatty acid ethyl ester (FAEE), wax, diacylglycerol (DAG) and color pigment contents of olive oils by using rapid and non-destructive spectroscopic techniques (FTIR and UV–vis) individually and in combination. Prediction models were constructed by using partial least squares (PLS) regression with cross and external validation. FAEEs were estimated best with FTIR + UV–Vis spectroscopy (R2cv. = 0.84, R2pred. = 0.90, and RPD = 3.0). PLS model with R2cv = 0.79, R2pred = 0.71, and RPD = 1.9 was obtained for the estimation of 1,2 DAG using FTIR spectral data. Major pigments, lutein, pheophytin a and their derivatives and total xanthophylls were quantified successfully by FTIR + UV–Vis with a range of R2cv of 0.71–0.85, R2pred of 0.70–0.84, and RPD = 1.5–2.5 values but the prediction of the rest of the pigments were poor (R2cv = 0.60–0.76, R2pred:0.42–0.62, and RPD = 1.2–1.5). Combination of two spectral data resulted in average prediction of wax content of oils (R2cal. = 0.95, R2pred. = 0.75, and RPD = 1.9). FTIR and UV–vis spectroscopic techniques in combination with PLS regression provided promising results for the prediction of several chemical parameters of olive oils; therefore, they could be alternatives to traditional analysis methods.