Journal
JOURNAL OF CHROMATOGRAPHY A
Volume 1217, Issue 25, Pages 4195-4203Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.chroma.2009.12.049
Keywords
Beer; Authenticity; Head-space solid-phase microextraction; Gas chromatography; Mass spectrometry; Direct analysis in real time; Multivariate analysis
Funding
- European Commission [FP6-FOOD-2004006942-TRACE]
- Ministry of Education, Youth and Sports of the Czech Republic [MSM 6046137305]
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Automated head-space solid-phase microextraction (HS-SPME)-based sampling procedure, coupled to gas chromatography-time-of-flight mass spectrometry (GC-TOFMS), was developed and employed for obtaining of fingerprints (GC profiles) of beer volatiles. In total, 265 speciality beer samples were collected over a 1-year period with the aim to distinguish, based on analytical (profiling) data, (i) the beers labelled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. For the chemometric evaluation of the data, partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) were tested. The best prediction ability was obtained for the model that distinguished a group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided 100% correct classification. Slightly worse prediction abilities were achieved for the models Trappist vs. non-Trappist beers with the values of 93.9% (PLS-DA), 91.9% (LDA) and 97.0% (ANN-MLP) and Rochefort 8 vs. the rest with the values of 87.9% (PLS-DA) and 84.8% (LDA) and 93.9% (ANN-MLP). In addition to chromatographic profiling, also the potential of direct coupling of SPME (extraction/pre-concentration device) with high-resolution TOFMS employing a direct analysis in real time (DART) ion source has been demonstrated as a challenging profiling approach. (C) 2009 Elsevier B.V. All rights reserved.
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