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Article

¹H-NMR Spectroscopy and Chemometric Fingerprinting for the Authentication of Organic Extra Virgin Olive Oils

by
Silvana M. Azcarate
1,
Maria P. Segura-Borrego
2,
Rocío Ríos-Reina
2,* and
Raquel M. Callejón
2
1
Instituto de Ciencias de la Tierra y Ambientales de la Pampa, Facultad Ciencias Exactas y Naturales, Universidad Nacional de La Pampa, Santa Rosa L6300DUG, Argentina
2
Área de Nutrición y Bromatología, Facultad de Farmacia, Universidad de Sevilla, 41012 Sevilla, Spain
*
Author to whom correspondence should be addressed.
Chemosensors 2025, 13(5), 162; https://doi.org/10.3390/chemosensors13050162
Submission received: 12 March 2025 / Revised: 15 April 2025 / Accepted: 23 April 2025 / Published: 1 May 2025
(This article belongs to the Special Issue Chemometrics for Food, Environmental and Biological Analysis)

Abstract

The authentication of organic extra virgin olive oils (OEVOOs) is crucial for quality control and fraud prevention. This study applies proton-nuclear magnetic resonance (1H-NMR) spectroscopy combined with chemometric analysis as a non-destructive, untargeted approach to differentiate EVOOs based on cultivation method (organic vs. conventional) and variety (Hojiblanca vs. Picual). Principal component analysis (PCA) and partial least squares-discriminant analysis (PLS-DA) demonstrated well-defined sample differentiation, while the variable importance in projection (VIP) selection and Tukey’s test identified key spectral regions responsible for classification. The results showed that sterols and lipid-related compounds played a major role in distinguishing organic from conventional oils, whereas fatty acids and phenolic compounds were more relevant for cultivar differentiation. These findings align with known metabolic differences, where Picual oils generally exhibit higher polyphenol content, and a distinct fatty acid composition compared to Hojiblanca. The agreement between chemometric classification models and statistical tests supports the potential of 1H-NMR for OEVOO authentication. This method provides a comprehensive and reproducible metabolic fingerprint, enabling differentiation based on both agronomic practices and genetic factors. These findings suggest that 1H-NMR spectroscopy, coupled with multivariate analysis, could be a valuable tool for quality control and fraud detection in the olive oil industry.
Keywords: extra virgin olive oil; conventional; organic; variety; 1H-NMR; authentication extra virgin olive oil; conventional; organic; variety; 1H-NMR; authentication

Share and Cite

MDPI and ACS Style

Azcarate, S.M.; Segura-Borrego, M.P.; Ríos-Reina, R.; Callejón, R.M. ¹H-NMR Spectroscopy and Chemometric Fingerprinting for the Authentication of Organic Extra Virgin Olive Oils. Chemosensors 2025, 13, 162. https://doi.org/10.3390/chemosensors13050162

AMA Style

Azcarate SM, Segura-Borrego MP, Ríos-Reina R, Callejón RM. ¹H-NMR Spectroscopy and Chemometric Fingerprinting for the Authentication of Organic Extra Virgin Olive Oils. Chemosensors. 2025; 13(5):162. https://doi.org/10.3390/chemosensors13050162

Chicago/Turabian Style

Azcarate, Silvana M., Maria P. Segura-Borrego, Rocío Ríos-Reina, and Raquel M. Callejón. 2025. "¹H-NMR Spectroscopy and Chemometric Fingerprinting for the Authentication of Organic Extra Virgin Olive Oils" Chemosensors 13, no. 5: 162. https://doi.org/10.3390/chemosensors13050162

APA Style

Azcarate, S. M., Segura-Borrego, M. P., Ríos-Reina, R., & Callejón, R. M. (2025). ¹H-NMR Spectroscopy and Chemometric Fingerprinting for the Authentication of Organic Extra Virgin Olive Oils. Chemosensors, 13(5), 162. https://doi.org/10.3390/chemosensors13050162

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