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ISRN Analytical Chemistry
Volume 2013 (2013), Article ID 825318, 9 pages
http://dx.doi.org/10.1155/2013/825318
Research Article

Qualitative and Quantitative Control of Honeys Using NMR Spectroscopy and Chemometrics

1Chemisches und Veterinäruntersuchungsamt (CVUA) Freiburg, Bissierstraße 5, 79114 Freiburg, Germany
2Chemisches und Veterinäruntersuchungsamt (CVUA) Karlsruhe, Weissenburger Straße 3, 76187 Karlsruhe, Germany
3Bruker BioSpin GmbH, Silberstreifen, 76287 Rheinstetten, Germany
4Department of Chemistry, Saratov State University, Astrakhanskaya Street 83, Saratov 410012, Russia
5Ministry of Rural Affairs and Consumer Protection, Kernerplatz 10, 70182 Stuttgart, Germany

Received 21 March 2013; Accepted 16 April 2013

Academic Editors: A. Bouklouze, S. E. Jorge-Villar, W. X. Misiuk, A. Orte, Y. van der Burgt, and W. M. Winnik

Copyright © 2013 Marc Ohmenhaeuser et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

400 MHz nuclear magnetic resonance (NMR) spectroscopy and multivariate data analysis techniques were used in the context of food surveillance to measure 328 honey samples with 1H and 13C NMR. Using principal component analysis (PCA), clusters of honeys from the same botanical origin were observed. The chemical shifts of the principal monosaccharides (glucose and fructose) were found to be mostly responsible for this differentiation. Furthermore, soft independent modeling of class analogy (SIMCA) and partial least squares discriminant analysis (PLS-DA) could be used to automatically classify spectra according to their botanical origin with 95–100% accuracy. Direct quantification of 13 compounds (carbohydrates, aldehydes, aliphatic and aromatic acids) was additionally possible using external calibration curves and applying TSP as internal standard. Hence, NMR spectroscopy combined with chemometrics is an efficient tool for simultaneous identification of botanical origin and quantification of selected constituents of honeys.