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Non-targeted metabolomic analysis of field-grown Coffea arabica cultivars reveals distinct leaf metabolic signatures

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This study conducted a non-targeted metabolomic analysis of five Coffea arabica L. cultivars grown in the field experimental areas of the Cerrado Mineiro (Minas Gerais State, Brazil) to identify their metabolic fingerprints. The five cultivars selected for this study were chosen based on their specific genetic backgrounds and traits, including disease resistance, productivity, and cup quality. A total of 463 metabolic features were detected in the overall C. arabica metabolome, with the major metabolic classes comprising sugars, amino acids, lipids, phenylpropanoids, and phenolic compounds. Among these, 41 metabolites were identified as key discriminators among the five cultivars. Partial least squares discriminant analysis (PLS-DA) revealed distinct metabolic profiles, highlighting ferulic acid, theobromine, octopamine, rosmarinic acid, and gibberellin as key metabolites. These findings emphasize the importance of phenolic compounds and alkaloids in cultivar discrimination. The most relevant metabolic markers associated with environmental stress tolerance suggest their potential as biochemical indicators for selecting resilient cultivars, thereby contributing to coffee breeding programs. Notably, this study is the first documented characterization of the leaf metabolome of field-grown C. arabica cultivars, with Catiguá MG2 emerging as the most distinct. Our findings demonstrate the efficacy of metabolomic fingerprinting via non-targeted metabolomic as a powerful tool for differentiating coffee cultivars and for precision breeding strategies.

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Funding Information: Open access funding provided by FCT|FCCN (b-on). Financial support was provided by the Brazilian agencies: National Counsel of Technological and Scientific Development- CNPq, the Brazilian Consortium Coffee Research and Development, the National Institute of Coffee Science and Technology (INCT Café/CNPq), Coordination for the Improvement of Higher Education Personnel (Coordenação de Aperfeiçoamento de Pessoal de Nível Superior — CAPES, funding code: 001), and the Foundation for Research Support of the State of Minas Gerais (FAPEMIG). Financial support by the Access to Research Infrastructures, Horizon2020 Programme of the European Union (EPPN2020 Grant Agreement 731013). Financial support by Portuguese funds from FCT - Fundação para a Ciência e a Tecnologia, I.P., in the scope of the project UIDP/04378/2020 (DOI: 10.54499/UIDP/04378/2020) and UIDB/04378/2020 (DOI: 10.54499/UIDB/04378/2020) of the Research Unit on Applied Molecular Biosciences - UCIBIO and the project LA/P/0140/2020 (DOI: 10.54499/LA/P/0140/2020) of the Associate Laboratory Institute for Health and Bioeconomy - i4HB. This research was also supported by LEAF – Linking Landscape, Environment, Agriculture and Food Research Center under the projects UIDB/04129/2020 (DOI: 10.54499/UIDB/04129/2020) and UIDP/04129/2020 (DOI: 10.54499/UIDP/04129/2020); and Associate Laboratory TERRA LA/P/0092/2020 (DOI: 10.54499/LA/P/0092/2020) all funded by FCT I.P., Portugal. Publisher Copyright: © The Author(s) 2025.

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Alkaloids Cerrado Mineiro (Brazil) GC–TOF–MS Phenolics Agronomy and Crop Science Plant Science

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