Library Dissertation Showcase

Utilising 500 MHz NMR and statistical modelling for qualitative and quantitative analysis of homemade and commercial alcoholic beverage safety

  • Year of Publication:
  • 2025

This study employed a dual spectroscopic approach, utilising Nuclear Magnetic Resonance (NMR) and Raman spectroscopy, to characterise the chemical profiles of various homemade and commercial alcoholic beverages. The analysis, which included 1H NMR, HSQC, and 13C NMR (derived from HSQC), provided detailed qualitative and quantitative insights into the sample compositions. Principal Component Analysis (PCA) with heatmaps was used to identify chemical patterns and classify the beverages based on their origin and content.

Quantitative NMR revealed varying Alcohol by Volume (ABV) levels, with some commercial samples showing discrepancies from their labels. The qualitative analysis provided a detailed metabolic fingerprint, confirming the presence of key components, including sugars (glucose, sucrose) and organic acids (malic acid, citric acid, acetic acid, and succinic acid). A significant alcohol safety finding was the absence of methanol in all samples. Raman spectroscopy complemented this analysis by confirming the vibrational modes of ethanol. The integrated PCA effectively grouped samples by their source and type, demonstrating that shared chemical characteristics, like high ethanol content or the presence of specific metabolites, were more significant drivers for clustering than the samples’ homemade or commercial origin.

In conclusion, this research emphasises the power of combining non-destructive spectroscopic techniques for accurate beverage authentication and quality assessment. These findings offer a valuable tool for regulatory oversight, the detection of adulteration, and a deeper understanding of traditional production methods.

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