Probing beer aging chemistry by nuclear magnetic resonance and multivariate analysis
authors Rodrigues, JA; Barros, AS; Carvalho, B; Brandao, T; Gil, AM
nationality International
journal ANALYTICA CHIMICA ACTA
author keywords Beer; Forced aging; Nuclear magnetic resonance (NMR); Multivariate analysis (MVA); Two-dimensional correlation analysis; Food metabonomics
keywords LIQUID-CHROMATOGRAPHY; H-1-NMR SPECTROSCOPY; DIMETHYL TRISULFIDE; BETA-DAMASCENONE; FLAVOR STABILITY; OLIVE OILS; NMR; CHEMOMETRICS; SPECTROMETRY; COMBINATION
abstract This paper describes the use of nuclear magnetic resonance (NMR) spectroscopy, in tandem with multivariate analysis (MVA), for monitoring the chemical changes occurring in a lager beer exposed to forced aging (at 45 degrees C for up to 18 days). To evaluate the resulting compositional variations, both principal component analysis (PCA) and partial least squares-discriminant analysis (PLS-DA) were applied to the NMR spectra of beer recorded as a function of aging and a clear aging trend was observed. Inspection of PLS-DA loadings and peak integration enabled the changing compounds to be identified, revealing the importance of well known markers such as 5-hydroxymethylfurfural (5-HMF) as well as a range of other relevant compounds: amino acids, higher alcohols, organic acids, dextrins and some still unassigned spin systems. In addition, the multivariate analysis method of 2D correlation analysis was applied to the NMR data enabling the relevant compound variations to be confirmed and inter-compound correlations to be assessed, some reflecting common metabolic/chemical pathways and, therefore, offering improved insight into the chemical aspects of beer aging. (C) 2011 Elsevier B.V. All rights reserved.
publisher ELSEVIER SCIENCE BV
issn 0003-2670
year published 2011
volume 702
issue 2
beginning page 178
ending page 187
digital object identifier (doi) 10.1016/j.aca.2011.06.042
web of science category Chemistry, Analytical
subject category Chemistry
unique article identifier WOS:000294530300004
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