What's in this drink? Classification and adulterant detection in Irish Whiskey samples using near infrared spectroscopy combined with chemometrics

BACKGROUND Near-infrared (NIR) spectroscopy coupled with principal component analysis (PCA) and partial least squares (PLS) regression was used to analyse a series of different Irish Whiskey samples in order to define their spectral profile and to assess the capability of the NIR method to identify samples based on their origin and storage (e.g. distiller, method of maturation). The ability of NIR spectroscopy to quantify the level of potential chemical adulterants was also investigated. Samples were spiked with 0.1%, 0.5%, 1.0%, 1.5% and 2.0% v/v of each adulterant (e.g. methanol, ethyl acetate, etc.) prior to NIR analysis. RESULTS The results of this study demonstrated the capability of NIR spectroscopy combined with PLS regression to classify the whiskey samples and to determine the level of adulteration. Moreover, the potential of NIR coupled with chemometric analysis as a rapid, portable, and non-destructive screening tool for quality control, traceability, and food/beverage adulteration for customs and other regulatory agencies, to mitigate beverage fraud was illustrated. CONCLUSION Given the non-specificity of the NIR technique, these positive preliminary results indicated that this method of analysis has the potential to be applied to identify the level of adulteration in distilled spirits. The rapid nature of the technique and lack of consumables or sample preparation required allows for a far more time and cost-effective analysis per sample. (c) 2021 Society of Chemical Industry.

Automated summary

The study showed that NIR spectroscopy combined with PLS regression can classify whiskey samples and determine the level of adulteration. The potential of NIR with chemometric analysis as a rapid, portable, and non-destructive screening tool for quality control, traceability, and food/beverage adulteration for customs and regulatory agencies was highlighted.