Differential Mobility
Spectrometry Authenticates the
Botanical Origins of Five Monofloral Honeys
Posted on 2025-02-05 - 00:44
Differential mobility spectrometry (DMS) enables the
detection
and separation of volatile organic compounds, exploiting differences
in ion mobility under varying electric fields, which enhance the resolution
of complex mixtures. In this study, DMS, upon integration with chemometrics,
enabled the differentiation of the botanical origins of Italian honeys.
Utilizing a benchtop differential mobility spectrometer connected
to pure air, 219 monofloral honeys of five different botanical origins
(acacia, chestnut, citrus, eucalyptus, and linden) were simultaneously
analyzed in positive and negative ion modes and with the analysis
duration of less than 2 min. Repeatability of the resultant volatilomic
fingerprints was verified by cosine similarity with the subsequent
elimination of the nonrepeatable data. Afterward, the data for both
polarities were concatenated, and an exploratory investigation was
carried out into the discrimination capabilities of DMS by principal
component analysis. The merged data were then submitted to a statistical
analysis for classification. The performance of the resultant random
forest (RF) classifier was evaluated by repeated cross-validation
and resubstitution into the training set, and finally, this classifier
was validated on a withheld subset of data. The performances of the
classification model for each test were evaluated by calculating the
contingency table-derived parameters of accuracy, Matthew’s
correlation coefficient (MCC), sensitivity, and specificity. The RF
classifier produced high-performance values when predicting the botanical
origin of the honey in both training (MCC 84.8%, accuracy 88.0%, sensitivity
87.5%, and specificity 96.9%) and validation subsets (MCC 82.6%, accuracy
86.3%, sensitivity 85.7%, and specificity 96.5%). Some limitations,
expected to be mitigated by further research, were encountered in
the correct classification of acacia honey.
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Massaro, Andrea; Volpe, Ettore; Leone, Alba; Piro, Roberto; Mäkelä, Meri; Kontunen, Anton; et al. (2025). Differential Mobility
Spectrometry Authenticates the
Botanical Origins of Five Monofloral Honeys. ACS Publications. Collection. https://doi.org/10.1021/acs.jafc.4c10267