Computer vision–based augmented visualisation for coffee origins identitation using comprehensive two-dimensional gas chromatography
Year: 2026
Type: article
Abstract: Coffee is a highly complex and variable matrix, with volatile profiles shaped by multiple factors including botanical origin, climatic and soil conditions, post-harvest treatments, and roasting parameters. This variability generates complex chemical patterns, encompassing hundreds of volatile compounds from diverse chemical classes including pyrazines, furans, aldehydes, ketones, and terpenes. The resulting chemical dimensionality poses significant analytical challenges, making the accurate identification of characteristic compounds and reliable discrimination of coffee origins particularly difficult. In this study, we applied comprehensive two-dimensional gas chromatography (GC×GC) coupled with computer vision (CV) to address these challenges. The workflow begins with untargeted fingerprinting, capturing all detectable compounds in a feature template. Multiple sample chromatograms are then combined into composite class images, representing the typical chemical features of each origin while minimising individual variability, which enables rapid pairwise comparison of different origins. CV-based pairwise comparisons highlight differential peaks, which are integrated into a targeted template for subsequent peak extraction. Multivariate analyses then identify the key discriminant compounds driving origin differentiation. Post-processing strategies, such as ion-specific intensity mapping, further enhance interpretability, enabling visualisation of compositional differences across key chemical families. Overall, this GC×GC-CV workflow provides a robust, rapid, and visually intuitive platform for comprehensive chemical characterisation and origin classification of coffee, integrating untargeted and targeted analyses in a single framework.
Source: Journal of Chromatography A
Authors: Giorgio Felizzato, Eloisa Bagnulo, Giulia Tapparo, Giorgia Botta, Qingping Tao, Stephen E. Reichenbach, Chiara Cordero, Luciano Navarini, Erica Liberto, Andrea Caratti
Language: English
Subfield: Analytical Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $4,040
Funders: National Science Foundation, Schlumberger Foundation, Univerzita Karlova v Praze, Agencia Nacional de Investigación e Innovación, Merck KGaA, Environmental Restoration and Conservation Agency, Ministerio de Ciencia, Innovación y Universidades, Amt der NÖ Landesregierung, Universidad de La Laguna, Australian Government, Dipartimenti di Eccellenza, European Defence Fund, Argenx, Government of Canada, European Commission, National Research Foundation, Deutsche Forschungsgemeinschaft, Volkswagen Foundation, Agence Nationale de la Recherche, Ministry of Education, Culture, Sports, Science and Technology, Fundação de Amparo à Pesquisa do Estado de São Paulo, Österreichischen Akademie der Wissenschaften, Ministerstvo Školství, Mládeže a Tělovýchovy, Grantová Agentura České Republiky, Coordenação de Aperfeiçoamento de Pessoal de Nível Superior, King Saud University, Fonds De La Recherche Scientifique - FNRS, Agence Universitaire de la Francophonie, Universidad Nacional de Colombia, Generalitat de Catalunya, Nederlandse Organisatie voor Wetenschappelijk Onderzoek, Conselho Nacional de Desenvolvimento Científico e Tecnológico, Petrobras, Sasol, Università degli Studi di Firenze, Narodowym Centrum Nauki, Hrvatska Zaklada za Znanost, Fundação Carlos Chagas Filho de Amparo à Pesquisa do Estado do Rio de Janeiro, Financiadora de Estudos e Projetos, Ministerio de Ciencia e Innovación, Fundação de Amparo à Pesquisa do Estado de Minas Gerais, Österreichische Forschungsförderungsgesellschaft, Fundação de Amparo à Pesquisa do Estado de Goiás, Agentúra na Podporu Výskumu a Vývoja, Universita degli Studi di Bari Aldo Moro, Fundação de Apoio à Pesquisa e à Inovação Tecnológica do Estado de Sergipe, University of Jordan, Vedecká Grantová Agentúra MŠVVaŠ SR a SAV, Universität für Bodenkultur Wien, Universidade Estadual de Campinas, Università degli Studi di Torino, Universidade Federal de Minas Gerais, Universitat Rovira i Virgili, Agencia Canaria de Investigación, Innovación y Sociedad de la Información, Steirische Wirtschaftsförderungsgesellschaft, Anadolu Üniversitesi, Università degli Studi di Messina, Regione Piemonte, Regione Puglia, Standortagentur Tirol, Bundesministerium für Digitalisierung und Wirtschaftsstandort, Sistema General de Regalías de Colombia, Rede de Química e Tecnologia, Laboratório Associado para a Química Verde, European Chemical Society, Centro de Química Estrutural, National Science and Technology Council, Defense Advanced Research Projects Agency, Advanced Research Projects Agency, HORIZON EUROPE Framework Programme, Health Canada, Natural Sciences and Engineering Research Council of Canada, Fundação para a Ciência e a Tecnologia, Fonds pour la Formation à la Recherche dans l’Industrie et dans l’Agriculture, Facultad de Ciencias, Universidad de los Andes, European Regional Development Fund, Agencia Estatal de Investigación, RECETOX Přírodovědecké Fakulty Masarykovy Univerzity, Core Research for Evolutional Science and Technology, European Social Fund, H2020 European Research Council, Ministerio de Universidades, NextGenerationEU
Awards: G2410738859, G8663232550
OpenAlex ID: W7130831248