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Ramírez-Meraz, M., R., Mendez-Aguilar, L.G., Zepeda-Vallejo, C.J., Hernández-Guerrero, D., Hidalgo-Martínez & E., Becerra-Martínez (2024). Exploring the chemical diversity of Capsicum chinense cultivars using NMR-based metabolomics and machine learning methods . Food Research International. 178: 113796. DOI: 10.1016/j.foodres.2023.113796.

Exploring the chemical diversity of Capsicum chinense cultivars using NMR-based metabolomics and machine learning methods

Moises Ramírez-Meraz 1, Reinaldo Mendez-Aguilar 1, L. Gerardo Zepeda-Vallejo 2, Claudia Judith Hernández-Guerrero 3, Diego Hidalgo-Martínez 4 y Elvia Becerra-Martínez 5

1 INIFAP-Campo Experimental Las Huasteca
2 Instituto Politécnico Nacional, Escuela Nacional de Ciencias Biológicas
3 Instituto Politécnico Nacional, Centro Interdisciplinario de Ciencias Marinas
4 Department of Biology, Healthcare and the Environment, Faculty of Pharmacy and Food Sciences, University of Barcelona
5 Instituto Politécnico Nacional, Centro de Nanociencia Micro y Nanotecnologías
The habanero pepper (Capsicum chinense) is a prominent spicy fruit integral to the historical, social, cultural, andeconomic fabric of the Yucatan peninsula in Mexico. This study leverages the power of 1H NMR spectroscopycoupled with machine learning algorithms to dissect the metabolomic profile of eleven C. chinense cultivars,including those grown by INIFAP (Habanero-Jaguar, Antillano-HRA 1-1, Antillano-HRA 7-1, Habanero-HAm18A, Habanero-HC-23C, and Jolokia-NJolokia-22) and commercial hybrids (Habanero-Rey Vot´an, HabaneroKabal, Balam, USAPR10117, and Rey Pakal). A total of fifty metabolites, encompassing sugars, amino acids,short-chain organic acids, and nucleosides, were identified from the 1H NMR spectra. The optimized machinelearning model proficiently predicted the similarity percentage between the INIFAP-grown cultivars and commercial hybrids, thereby facilitating a comprehensive comparison. Biomarkers unique to each cultivar weredelineated, revealing that the Habanero-Rey Votan ´ cultivar is characterized by the highest concentration ofsugars. In contrast, the Balam cultivar is rich in amino acids and short-chain organic acids, sharing a similarmetabolomic profile with the Jolokia-NJolokia-22 cultivar. The findings of this study underscore the efficacy andreliability of NMR-based metabolomics as a robust tool for differentiating C. chinense cultivars based on theirintricate chemical profiles. This approach not only contributes to the scientific understanding of the metabolomicdiversity among habanero peppers but also holds potential implications for food science, agriculture, and theculinary arts

Palabras clave: Metabolic profiling; Nutraceutical properties; Artificial selection; Cultivar differentiation; Cultural emblem; Random forest

Para obtener una copia del documento contacta la personal de la biblioteca a través del correo bibliocicimar{a}ipn.mx

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