Direct determination of organic acids in wine and wine-derived products by Fourier transform infrared (FT-IR) spectroscopy and chemometric techniques

FT-IR with partial least squares (PLS) was used to establish a full calibration model for tartaric acid, malic acid, lactic acid, succinic acid, citric acid and acetic acid in wines, vinegars and spirits. Sample pre-treatment was not required except for filtering. The PLS method was employed and FT-IR spectra were correlated with the results from a reference HPLC method. In the validation with an independent set of samples, a strong correlation with the reference values was demonstrated for the highest concentration range (>0.6 g L-1) in all acids but the correlation was much weaker in the lower range (<0.6 g L-1). In the case of acetic acid, however, good results were obtained in the low concentration range for both red and white wine and for spirit drinks. This finding explains the fact that calibration and validation of the FT-IR spectroscopy method depends very strongly on the composition of the sample set and on the quality of the reference analysis. It was not possible to obtain a single calibration for all of the analysed samples and in some cases individual calibrations for specific samples were required. This situation was due to the different matrixes in the studied samples: 12-15% ethanol (wines), 30-40% ethanol (spirits) and 6-10% acetic acid (vinegars). As a result, a calibration model was developed for each acid in red and white wine, tartaric acid, acetic acid and total acidity in vinegar, and acetic acid in spirit drinks. (C) 2011 Elsevier B.V. All rights reserved.