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Objective Definition of Monofloral and Polyfloral Honeys Based on NMR Metabolomic Profiling

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† Department of Chemical Sciences, Università di Padova, via Marzolo 1, 35131 Padova, Italy
§ Piana Ricerca e Consulenza s.r.l. a socio unico, Via dei Mille 39, 40024 Castel San Pietro Terme, Bologna, Italy
*(E.S.) E-mail: [email protected]. Phone: +39 049 827 5742. Fax: +39 049 827 5829.
Cite this: J. Agric. Food Chem. 2016, 64, 18, 3645–3652
Publication Date (Web):April 17, 2016
https://doi.org/10.1021/acs.jafc.6b00619
Copyright © 2016 American Chemical Society
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    Abstract

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    In this paper, a remarkably precise, simple, and objective definition of monofloral and polyfloral honey based on NMR metabolomics is proposed. The spectra of organic extracts of 983 samples of 16 botanical origins were used to derive one-versus-all OPLS-DA classification models. The predictive components of the statistical models reveal not only the principal but also the secondary floral origins present in a sample of honey, a novel feature with respect to the methods present in the literature that are able to confirm the authenticity of monofloral honeys but not to characterize a mixture of honey types. This result descends from the peculiar features of the chloroform spectra that show diagnostic resonances for almost each botanical origin, making these NMR spectra suitable fingerprints. The reliability of the method was tested with an additional 120 samples, and the class assignments were compared with those obtained by traditional analysis. The two approaches are in excellent agreement in identifying the floral species present in honeys and in the botanical classification. Therefore, this NMR method may prove to be a valid solution to the huge limitations of traditional classification, which is very demanding and complex.

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    The Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/acs.jafc.6b00619.

    • Table S1, chemical structures and 1H proton resonances in CDCl3 of phenyllactic acid and lumichrome; Table S2, statistical parameters of the OPLS-DA models for the one-versus-all strategy and PLS-DA one-versus-one; Table 3S, class assignment of the test set (272 samples) based on NMR approach (PDF)

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