Qualitative and Quantitative Control of Honeys Using NMR Spectroscopy and Chemometrics

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 with1H and13C 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.

NMR‐based differentiation of conventionally from organically produced chicken eggs in Germany

“…For the past 20 years, the application in the food sector is on a constant rise . Especially in combination with multivariate data analysis (MVDA), NMR has been used for nontarget analysis in many fields, for instance, the characterisation of the geographic origin of juice, grape origin, and variety of wine, or the botanical origin of honey . There are some NMR studies targeting chicken eggs, such as protein identification and characterisation, 31 P NMR phospholipid analysis, and 13 C characterisation of fatty acids in hen's egg .…”

Spectroscopic analysis of honey

“…Certain spectroscopic methods that have been applied to honey control are mentioned in the literature: spectrophotometry [Yao and Chen, 1985 [Ohmenhaeuser et al, 2013]. However, the fact is that honey presents a non-transparent and opaque substance; the application of the abovementioned methods requires either the dilution, or special preparation of the samples.…”

Origin Identification and Quantitative Analysis of Honeys by Nuclear Magnetic Resonance and Chemometric Techniques

“…These spectra show the dominant resonances of main components content. Resonance assignments were performed according to the existing literature (Boffo et al 2012;Consonni et al 2012;Ohmenhaeuser et al 2013) and confirmed by public Human Metabolome Database (HMDB) and in-house NMR database.…”

“…The coupling of chemometric analysis with 1 H NMR spectroscopy gives much richer and interesting results for food analysis and provides in-depth understanding for the detailed information . Several papers have demonstrated that combination of NMR spectroscopy with multivariate statistical analysis is indeed a promising method to determine honey origin, and also a high-efficient quantitative tool (Boffo et al 2012;Consonni and Cagliani 2008;Donarski et al 2010;Ohmenhaeuser et al 2013).…”