Quantification of organic and amino acids in beer by H-1 NMR spectroscopy

LI Nord, P. Vaag, Jens Øllgaard Duus

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

The quantification of organic and amino acids in beer using H-1 NMR spectroscopy is demonstrated. Quantification was made both by integration of signals in the spectra together with use of calibration references and by use of partial least-squares (PLS) regression. Results from the NMR quantifications were compared with those obtained from determinations by amino acid analysis on HPLC and organic acid analysis by capillary electrophoresis. The described NMR-based methods could satisfactorily be used for quantification of several of the investigated metabolites in beer down to similar to10 mg/L and for most with a good to high accuracy compared to results obtained by HPLC and capillary electrophoresis (R-2 0.90-0.99). This was achieved with a simple sample preparation and one-dimensional 1H NMR spectra obtained in a few minutes. The use of PLS clearly improves the accuracy of the quantifications, based on comparison to results obtained by HPLC and capillary electrophoresis, and furthermore permits the determination of components with partially overlapped signals in the spectrum. NMR spectroscopy in combination with PLS will be a useful tool for the quantification of metabolites, not only in beer but also in other beverages and biofluids.
Original languageEnglish
JournalAnalytical Chemistry
Volume76
Issue number16
Pages (from-to)4790-4798
Number of pages9
ISSN0003-2700
DOIs
Publication statusPublished - 2004
Externally publishedYes

Keywords

  • Amino Acids
  • Beer
  • Carboxylic Acids
  • Electrophoresis, Capillary
  • Magnetic Resonance Spectroscopy
  • Electrophoresis
  • Least squares approximations
  • Nuclear magnetic resonance spectroscopy
  • Signal processing
  • Amino acids
  • accuracy
  • amino acid analysis
  • article
  • beer
  • calibration
  • capillary electrophoresis
  • chemical analysis
  • chemical composition
  • chemometric analysis
  • comparative study
  • high performance liquid chromatography
  • proton nuclear magnetic resonance
  • regression analysis
  • signal detection
  • Biofluids
  • Capillary electrophoresis
  • Quantification
  • AMINO acids
  • T
  • CHEMISTRY,
  • NUCLEAR-MAGNETIC-RESONANCE
  • VIRGIN OLIVE OILS
  • NMR-SPECTROSCOPY
  • CLASSIFICATION
  • IDENTIFICATION
  • SPECTROMETRY
  • REGRESSION
  • H-1
  • AMINO ACIDS
  • BEER
  • NMR
  • NUCLEAR MAGNETIC RESONANCE
  • ORGANIC ACIDS
  • TITLE
  • Alcoholic and non-alcoholic beverages
  • Beer and other brewed beverages

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