Application of 1H NMR and multivariate statistics for screening complex mixtures: Quality control and authenticity of instant coffee

Adrian J. Charlton*, William H.H. Farrington, Paul Brereton

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

124 Citations (Scopus)

Abstract

Principal components analysis (PCA) followed by linear discriminant analysis (LDA) of the nuclear magnetic resonance (NMR) spectra from 98 instant spray-dried coffees, obtained from 3 different producers, correctly attributed 99% of the samples to their manufacturer. Blind testing of the PCA model with a further 36 samples of instant coffee resulted in a 100% success rate in identifying the samples from the 3 manufacturers. Coffees from one manufacturer were also assigned into 2 groups using these techniques, and the compound 5-(hydroxymethyl)-2-furaldehyde was identified as the primary marker of differentiation.

Original languageEnglish
Pages (from-to)3098-3103
Number of pages6
JournalJournal of Agricultural and Food Chemistry
Volume50
Issue number11
DOIs
Publication statusPublished - 22 May 2002
Externally publishedYes

Keywords

  • Authenticity
  • Chemometrics
  • Coffee
  • LDA
  • NMR
  • PCA
  • Quality assurance

ASJC Scopus subject areas

  • Chemistry(all)
  • Agricultural and Biological Sciences(all)

Fingerprint Dive into the research topics of 'Application of <sup>1</sup>H NMR and multivariate statistics for screening complex mixtures: Quality control and authenticity of instant coffee'. Together they form a unique fingerprint.

Cite this