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Complementary use of ¹H NMR and multi-element IRMS in association with chemometrics enables effective origin analysis of cocoa beans (Theobroma cacao L.)

Title data

Bindereif, Stefan G. ; Brauer, Felix ; Schubert, Jan-Marcel ; Schwarzinger, Stephan ; Gebauer, Gerhard:
Complementary use of ¹H NMR and multi-element IRMS in association with chemometrics enables effective origin analysis of cocoa beans (Theobroma cacao L.).
In: Food Chemistry. Vol. 299 (November 2019) .
ISSN 0308-8146
DOI: https://doi.org/10.1016/j.foodchem.2019.125105

Abstract in another language

Within the cocoa market (Theobroma cacao L.), quality and prices are often determined by geographical origin, making traceability indispensable. Therefore, to investigate possibilities of tracing by analytical methods, 48 carefully selected cocoa samples from 20 countries have been profiled using a combination of stable isotope-ratio mass spectrometry (IRMS) and proton nuclear magnetic resonance (1H NMR). Chemometric analysis of combined data sets from both, stable isotope data (δ13C, δ15N, δ18O, δ2H, %C, %N, %O, %H) and 1H NMR fingerprints, achieved good separation with increased classification rates compared to classification with data of the isolated methods. IRMS contributed primarily to discrimination between countries, while 1H NMR significantly contributed to separation of varieties, but also the regions within individual countries. This study thus demonstrates that combination of two analytical methods is an effective tool to enhance both, accuracy and precision, in authenticity testing of cocoa.

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Research Institutions
Research Institutions > Research Centres
Research Institutions > Research Centres > Nordbayerisches Zentrum für NMR-Spektroskopie - NMR-Zentrum
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 500 Natural sciences
Date Deposited: 06 Aug 2019 06:34
Last Modified: 07 Aug 2019 05:12
URI: https://eref.uni-bayreuth.de/id/eprint/51774