In the present work the possibility of using an untargeted metabolomic strategy to discriminate between common and durum wheat lipidome for an authenticity purpose was explored. A first study was conducted by analyzing 52 samples from two durum and common wheat varieties. Afterwards, an extended and independent sample set (173 samples and five varieties) was used as a confirmatory study to verify the stability and consistency of the models obtained. Putatively identified markers were evaluated applying ROC curves resulting in individual marker AUC >90% both in preliminary and confirmatory study. In addition, digalactosyl diglyceride (DGDG) 36:4 was shown to be an effective marker differentiating between authentic durum wheat and its adulterated admixture down to 3% adulteration level, which is the maximum contamination level allowed by Italian legislation. The results demonstrated that untargeted lipidomics, in conjunction with chemometric tools has a significant potential for screening and detection of wheat fraud.
Keywords: 5-Heneicosylresorcinol (PubChem CID: 155461); 5-Heptadecylresorcinol (PubChem CID: 181700); 5-Pentacosylresorcinol (PubChem CID: 155463); Authenticity; Common wheat; Durum wheat; High-resolution mass spectrometry; Lipidomics; MGDG 36:3 (PubChem CID: 25244936); MGDG 36:5 (PubChem CID: 90657614); TAG 56:2 (18:1/18:1/20:0) (PubChem CID: 25240374); Untargeted metabolomics; Wheat.
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