Influence of the scanning temperature on the classification of whisky samples analysed by UV-VIS spectroscopy

The definition of the optimal temperature and its effects (either increasing or variations) during analysis of alcoholic beverages are of importance to develop protocols based in spectroscopy. Although several reports have been published on the use of spectroscopy combined with chemometrics to classify and authenticate alcoholic beverages (e.g., wine, tequila, whisky), few reports deal with issues related with the spectra collection (e.g., temperature, path length) and its effect on the classification performances. The objective of this study was to evaluate the effect of increasing temperature on both the UV-VIS spectra of whisky and on the classification results of the samples according to country of origin. Whisky samples from different commercial labels were analysed at different temperatures (25, 35, 45, 55 °C) using a UV-VIS instrument (Agilent, Cary 3500). Principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA) models based in cross validation were used to classify whisky samples according to scanning temperature and origin. The results of this study indicated that temperature did not affect the classification of whisky samples according to country of origin. Overall, well defined protocols need to be defined for routine use of these methods in research and by the industry