High-Resolution Nuclear Magnetic Resonance Spectroscopy and Multivariate Analysis for the Characterization of Beer

Abstract

Beer contains a very complex mixture of nutrients, which in this work are identified to some extent by high-field high-resolution nuclear magnetic resonance (NMR) one- and two-dimensional methods. The ¹H NMR spectrum of beer shows a predominance of strongly overlapped peaks arising from several carbohydrates. Minor components are clearly observed both in the aliphatic and in the aromatic regions of the spectrum. With the aid of two-dimensional methods, spectral assignment was carried out, enabling the identification of ∼30 compounds and identifying about the same number of spin systems for further assignment. The variability of the spectral profile of beers differing in type and label was studied by principal component analysis (PCA), and it was found that, although some distinction is achieved on the basis of the aliphatic and sugar compositions, clearer separation between ales and lagers is obtained by PCA of the aromatic profiles alone. The potential of this technique as a rapid and informative quality control tool is discussed. Keywords: Beer; ale; lager; nuclear magnetic resonance; principal component analysis; chemometrics