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Stepwise strategy based on untargeted metabolomic 1H NMR fingerprinting and pattern recognition for the geographical authentication of virgin olive oils

Authors: Rosa María Alonso-Salces; Gabriela Elena Viacava; Alba Tres; Stefania Vichi; Enrico Valli; Alessandra Bendini; Tullia Gallina Toschi; +3 Authors

Stepwise strategy based on untargeted metabolomic 1H NMR fingerprinting and pattern recognition for the geographical authentication of virgin olive oils

Abstract

1H NMR fingerprinting of virgin olive oils (VOOs) and a collection of binary classificationmodels arranged in a decision tree are presented as a stepwise strategy to determine thegeographical origin of a VOO at four levels, i.e. provenance from an EU member state oroutside the EU, country and region of origin, and compliance with a geographicalindication scheme. This approach supports current EU regulation that makes labelling ofthe geographical origin mandatory for olive oil. Currently, official methods for its controlare still lacking. Partial least squares discriminant analysis (PLS-DA) and random forestfor classification afforded robust and stable binary classification models to verify thegeographical origin of VOOs; however, the former outperformed the latter in terms ofaccuracy and robustness. The prediction abilities of the best binary PLS-DA model foreach case study were between 80% and 100% for both classes in cross-validation and inexternal validation. The satisfactory results achieved for the verification of thegeographical origin of VOOs, together with those of our previous studies on thediscrimination of olive oil categories, the detection of olive oils blended with vegetableoils (Alonso-Salces et al., 2022), and the determination of the stability, freshness, storagetime and conditions, and olive oil best−before date (Alonso-Salces et al., 2021), confirmthat a single H NMR analysis of an olive oil sample can provide useful information tocontrol several EU regulations related to olive oil marketing standards (Regulation (EU)2022/2104 and Regulation (EU) 2024/1143).

Fil: Alonso Salces, Rosa Maria. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Sociales. Departamento de Arqueología. Laboratorio de Ecología Evolutiva Humana (Sede Quequén); Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tandil; Argentina

Fil: Viacava, Gabriela Elena. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Departamento de Ingeniería Química. Grupo de Investigación en Ingeniería en Alimentos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata; Argentina

Fil: Berrueta, Luis Ángel. Universidad del País Vasco; España

Fil: Héberger, Károly. Hungarian Academy Of Sciences; Hungría

Fil: Gallina Toschi, Tullia. Università di Bologna; Italia

Fil: Bendini, Alessandra. Università di Bologna; Italia

Fil: Vichi, Stefania. Universidad de Barcelona; España

Fil: Gallo, Blanca. Universidad del País Vasco; España

Fil: Tres, Alba. Universidad de Barcelona; España

Keywords

PROTON NUCLEAR MAGNETIC RESONANCE, 330, GEOGRAPHICAL ORIGIN, TX642-TX840 Food sciences / élelmiszertudomány, Chemometrics; Decision tree; Geographical origin; Multivariate data analysis; Olive oil; Proton nuclear magnetic resonance, https://purl.org/becyt/ford/1.4, DECISION TREE, MULTIVARIATE DATA ANALYSIS, OLIVE OIL, https://purl.org/becyt/ford/1, CHEMOMETRICS

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
2
Top 10%
Average
Average
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