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Conventional chromatographic methods for authenticity control are time-consuming, costly, and rely on hazardous chemicals. This study presents a comparatively streamlined, solvent-efficient, and environmentally friendly approach based on low-field 1H NMR spectroscopy coupled with chemometrics, eliminating the need for deuterated solvents. Using authentic (n = 40), commercial (n = 18), and adulterated samples (1\u201310% synthetic caffeine), the data-driven soft independent modeling of the class analogy (DD-SIMCA) model achieved 100% sensitivity and over 99% accuracy for authentication. Simultaneously, a PLS regression model accurately quantified adulteration levels, showing high predictive performance (Rpred2 = 0.9891; RMSEP = 0.36%) and low detection limits. This orthogonal workflow successfully distinguished natural agro-industrial variability from intentional adulteration, demonstrating the potential of a practical, affordable, and sustainable first-line screening approach for future regulatory application.<\/jats:p>","DOI":"10.1021\/acs.jafc.6c08341","type":"journal-article","created":{"date-parts":[[2026,8,10]],"date-time":"2026-08-10T17:02:00Z","timestamp":1786381320000},"page":"25744-25759","source":"Crossref","is-referenced-by-count":0,"title":["Novel Analytical Workflow for Tracing Synthetic Caffeine\nAdulteration in Amazonian Guarana\u0301 (\n                    <i>Paullinia cupana<\/i>\n                    ) Using Low-Field 1H NMR Fingerprinting and Chemometrics"],"prefix":"10.1021","volume":"74","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-4886-302X","authenticated-orcid":true,"given":"Jelmir Craveiro","family":"de Andrade","sequence":"first","affiliation":[{"name":"Federal University of Rio de Janeiro (UFRJ), Cidade 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Universita\u0301ria , , , ,","place":["Rio de Janeiro, RJ, Brazil, 21941-909"]},{"name":"Federal University of Mato Grosso (UFMT) , , ,","place":["Cuiaba\u0301, MT, Brazil, 78060-900"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4988-9878","authenticated-orcid":true,"given":"Adriano Teixeira","family":"de Oliveira","sequence":"additional","affiliation":[{"name":"Federal University of Rio de Janeiro (UFRJ), Cidade Universita\u0301ria , , , ,","place":["Rio de Janeiro, RJ, Brazil, 21941-598"]},{"name":"Federal University of Rio de Janeiro (UFRJ), Cidade Universita\u0301ria , , , ,","place":["Rio de Janeiro, RJ, Brazil, 21941-909"]},{"name":"Center for Studies of Invertebrates and Vertebrates of the Amazon (NEIVA), Federal Institute of Education, Science and Technology of Amazonas (IFAM) , Manaus Centro Campus (CMC) , , ,","place":["Manaus, AM, Brazil, 69020-120"]},{"name":"Graduate Program in Animal Science and Fisheries Resources (PPGCARP), Faculty of Agricultural Sciences (FCA), Federal University of Amazonas (UFAM) , University Campus , , ,","place":["Manaus, AM, Brazil, 69077-000"]},{"name":"Nilton Lins University Center (CUNL) , , , ,","place":["Manaus, AM, Brazil, 69020-120"]},{"name":"Amazonas State University (UEA) , , , ,","place":["Manaus, AM, Brazil, 69020-120"]},{"name":"Amazonas State University , , ,","place":["Manaus, AM, Brazil, 69050-010"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1807-162X","authenticated-orcid":true,"given":"Adriene Nu\u0301zia","family":"de Almeida Santos","sequence":"additional","affiliation":[{"name":"Center for Studies of Invertebrates and Vertebrates of the Amazon (NEIVA), Federal Institute of Education, Science and Technology of Amazonas (IFAM) , Manaus Centro Campus (CMC) , , ,","place":["Manaus, AM, Brazil, 69020-120"]},{"name":"Nilton Lins University Center (CUNL) , , ,","place":["Manaus, AM, Brazil, 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