title: Oxygenated heterocyclic compounds to differentiate Citrus spp. essential oils through metabolomic strategies.
abstract: This study aimed to characterise and discriminate 44 authenticated commercial samples of citrus essential oils (EO) from seven species (bergamot, lemon, bigarade, orange, mandarin, grapefruit, lime) by analysing the non-volatile oxygenated heterocyclic compounds (OHC) by UHPLC/TOF-HRMS, multivariate data analysis (PCA, PLS-DA) and metabolomic strategies; the OHC fraction includes coumarins, furocoumarins, and polymethoxylated flavonoids. Two different approaches were adopted: (i) targeted profiling based on quantifying 18 furocoumarins and coumarins, some of which are regulated by law, and (ii) targeted fingerprinting based on 140 OHCs reported in citrus essential oils, from which 38 discriminant markers were defined. This approach correctly discriminated the Citrus species; its "sensitivity" to relatively low adulteration rate (10%) was highly satisfactory. The proposed method is complementary to that of analysing the citrus EO volatile part by GC techniques.
authors.affiliation: Dipartimento di Scienza e Tecnologia del Farmaco, Università di Torino, Via P. Giuria 9, I-10125 Torino, Italy; Robertet SA, Research Division, 37 Avenue Sidi Brahim, F-06130 Grasse, France.
authors.forename: Jerome
authors.initials: J
authors.lastname: Masson
authors.affiliation: Dipartimento di Scienza e Tecnologia del Farmaco, Università di Torino, Via P. Giuria 9, I-10125 Torino, Italy.
authors.forename: Erica
authors.initials: E
authors.lastname: Liberto
authors.affiliation: Robertet SA, Research Division, 37 Avenue Sidi Brahim, F-06130 Grasse, France.
authors.forename: Jean-Claude
authors.initials: JC
authors.lastname: Beolor
authors.affiliation: Robertet SA, Research Division, 37 Avenue Sidi Brahim, F-06130 Grasse, France.
authors.forename: Hugues
authors.initials: H
authors.lastname: Brevard
authors.affiliation: Dipartimento di Scienza e Tecnologia del Farmaco, Università di Torino, Via P. Giuria 9, I-10125 Torino, Italy.
authors.forename: Carlo
authors.initials: C
authors.lastname: Bicchi
authors.affiliation: Dipartimento di Scienza e Tecnologia del Farmaco, Università di Torino, Via P. Giuria 9, I-10125 Torino, Italy. Electronic address: patrizia.rubiolo@unito.it.
authors.forename: Patrizia
authors.initials: P
authors.lastname: Rubiolo
mesh_terms: D002849:Chromatography, Gas; D002957:Citrus / Q000737:chemistry* / Q000145:classification; D003374:Coumarins / Q000737:chemistry; D005419:Flavonoids / Q000737:chemistry; D011564:Furocoumarins / Q000737:chemistry; D006571:Heterocyclic Compounds / Q000737:chemistry*; D055432:Metabolomics / Q000379:methods*; D015999:Multivariate Analysis; D009822:Oils, Volatile / Q000032:analysis*; D010100:Oxygen / Q000737:chemistry*; D010936:Plant Extracts / Q000032:analysis; D012680:Sensitivity and Specificity
chemical_list: D003374:Coumarins; D005419:Flavonoids; D011564:Furocoumarins; D006571:Heterocyclic Compounds; D009822:Oils, Volatile; D010936:Plant Extracts; D010100:Oxygen
keywords: Citrus spp.; Discriminant markers; Metabolomic strategy; Multivariate data analysis; Oxygenated heterocyclic compounds; UHPLC/TOF-MS