title: Rapid approach to identify the presence of Arabica and Robusta species in coffee using 1H NMR spectroscopy.
abstract: NMR spectroscopy was used to verify the presence of Arabica and Robusta species in coffee. Lipophilic extracts of authentic roasted and green coffees showed the presence of established markers for Robusta (16-O-methylcafestol (16-OMC)) and for Arabica (kahweol). The integration of the 16-OMC signal (δ 3.165 ppm) was used to estimate the amount of Robusta in coffee blends with an approximate limit of detection of 1-3%. The method was successfully applied for the analysis of 77 commercial coffee samples (coffee pods, coffee capsules, and coffee beans). Furthermore, principal component analysis (PCA) was applied to the spectra of lipophilic and aqueous extracts of 20 monovarietal authentic samples. Clusters of the two species were observed. NMR spectroscopy can be used as a rapid prescreening tool to discriminate Arabica and Robusta coffee species before the confirmation applying the official method.
authors.affiliation: Chemisches und Veterinäruntersuchungsamt (CVUA) Karlsruhe, Weissenburger Strasse 3, 76187 Karlsruhe, Germany; Bruker Biospin GmbH, Silberstreifen 4, 76287 Rheinstetten, Germany; Institute of Chemistry, Saratov State University, Astrakhanskaya Street 83, 410012 Saratov, Russia; Spectral Service, Emil-Hoffmann-Strasse 33, 50996 Cologne, Germany.
authors.forename: Yulia B
authors.initials: YB
authors.lastname: Monakhova
authors.affiliation: Chemisches und Veterinäruntersuchungsamt (CVUA) Karlsruhe, Weissenburger Strasse 3, 76187 Karlsruhe, Germany.
authors.forename: Winfried
authors.initials: W
authors.lastname: Ruge
authors.affiliation: Chemisches und Veterinäruntersuchungsamt (CVUA) Karlsruhe, Weissenburger Strasse 3, 76187 Karlsruhe, Germany.
authors.forename: Thomas
authors.initials: T
authors.lastname: Kuballa
authors.affiliation: Chemisches und Veterinäruntersuchungsamt (CVUA) Karlsruhe, Weissenburger Strasse 3, 76187 Karlsruhe, Germany.
authors.forename: Maren
authors.initials: M
authors.lastname: Ilse
authors.affiliation: Eurofins Analytik GmbH, Neulaender Kamp 1, 21079 Hamburg, Germany.
authors.forename: Ole
authors.initials: O
authors.lastname: Winkelmann
authors.affiliation: Spectral Service, Emil-Hoffmann-Strasse 33, 50996 Cologne, Germany.
authors.forename: Bernd
authors.initials: B
authors.lastname: Diehl
authors.affiliation: Eurofins Analytics France, Rue Pierre Adolphe Bobierre 9, Nantes, France.
authors.forename: Freddy
authors.initials: F
authors.lastname: Thomas
authors.affiliation: Chemisches und Veterinäruntersuchungsamt (CVUA) Karlsruhe, Weissenburger Strasse 3, 76187 Karlsruhe, Germany. Electronic address: Lachenmeier@web.de.
authors.forename: Dirk W
authors.initials: DW
authors.lastname: Lachenmeier
mesh_terms: D040503:Coffea / Q000737:chemistry* / Q000145:classification; D004224:Diterpenes / Q000032:analysis*; D005504:Food Analysis; D025341:Principal Component Analysis; D066244:Proton Magnetic Resonance Spectroscopy; D012639:Seeds / Q000737:chemistry* / Q000145:classification; D014867:Water / Q000032:analysis
chemical_list: C000600293:16-O-methylcafestol; D004224:Diterpenes; D014867:Water; C053401:kahweol
keywords: Arabica; Coffee; NMR spectroscopy; PCA; Robusta