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J Chromatogr A

Title:		Recognition of beer brand based on multivariate analysis of volatile fingerprint
Author(s):		Cajka T; Riddellova K; Tomaniova M; Hajslova J;
Address:		"Institute of Chemical Technology, Prague, Faculty of Food and Biochemical Technology, Department of Food Chemistry and Analysis, Technicka 3, 16628 Prague 6, Czech Republic"
Journal Title:		J Chromatogr A
Year:		2010
Volume:		20100104
Issue:		25
Page Number:		4195 - 4203
DOI:		10.1016/j.chroma.2009.12.049
ISSN/ISBN:		1873-3778 (Electronic) 0021-9673 (Linking)
Abstract:		"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"
Keywords:		Beer/*analysis Multivariate Analysis Quality Control Volatile Organic Compounds/*analysis;
Notes:		"MedlineCajka, Tomas Riddellova, Katerina Tomaniova, Monika Hajslova, Jana eng Research Support, Non-U.S. Gov't Netherlands 2010/01/16 J Chromatogr A. 2010 Jun 18; 1217(25):4195-203. doi: 10.1016/j.chroma.2009.12.049. Epub 2010 Jan 4"