Application of1H NMR and Multivariate Statistics for Screening Complex Mixtures: Quality Control and Authenticity of Instant Coffee
- 20 April 2002
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of Agricultural and Food Chemistry
- Vol. 50 (11) , 3098-3103
- https://doi.org/10.1021/jf011539z
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. Keywords: NMR; PCA; LDA; coffee; chemometrics; authenticity; quality assuranceKeywords
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