NDLI: Data fusion between high resolution 1H-NMR and mass spectrometry: a synergetic approach to honey botanical origin characterization

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Data fusion between high resolution 1H-NMR and mass spectrometry: a synergetic approach to honey botanical origin characterization

Content Provider	Springer Nature Link
Author	Spiteri, Marc Dubin, Elodie Cotton, Jérôme Poirel, Marion Corman, Bru Jamin, Eric Lees, Michèle Rutledge, Douglas
Copyright Year	2016
Abstract	A data fusion approach was applied to a commercial honey data set analysed by 1H-nuclear magnetic resonance (NMR) 400 MHz and liquid chromatography-high resolution mass spectrometry (LC-HRMS). The latter was performed using two types of mass spectrometers: an Orbitrap-MS and a time of flight (TOF)-MS. Fifty-six honey samples from four monofloral origins (acacia, orange blossom, lavender and eucalyptus) and multifloral sources from various geographical origins were analysed using the three instruments. The discriminating power of the results was examined by PCA first considering each technique separately, and then combining NMR and LC-HRMS together with or without variable selection. It was shown that the discriminating potential is increased through the data fusion, allowing for a better separation of eucalyptus, orange blossom and lavender. The NMR-Orbitrap-MS and NMR-TOF-MS mid-level fusion models with variable selection were preferred as a good discrimination was obtained with no misclassification observed for the latter. This study opens the path to new comprehensive food profiling approaches combining more than one technique in order to benefit from the advantages of several technologies. Graphical Abstract Data fusion between high resolution 1H-NMR and mass spectrometry
Starting Page	4389
Ending Page	4401
Page Count	13
File Format	PDF
ISSN	16182642
Journal	Analytical and Bioanalytical Chemistry
Volume Number	408
Issue Number	16
e-ISSN	16182650
Language	English
Publisher	Springer Berlin Heidelberg
Publisher Date	2016-04-16
Publisher Place	Berlin, Heidelberg
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Honey Nuclear magnetic resonance LC-MS Data fusion Botanical origin Analytical Chemistry Biochemistry Laboratory Medicine Characterization and Evaluation of Materials Food Science Environmental Monitoring/Analysis
Content Type	Text
Resource Type	Article
Subject	Analytical Chemistry Biochemistry

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