Non-targeting metabolite profiling and chemometric approaches for the discrimination and authentication analyses of whole-wheat flours from Tunisian durum wheat landraces (Triticum turgidumssp. durum)

Identification of whole durum wheat flour landrace origin based on specific chemical markers is important for flour authentication, breeding program design and food manufacturing process. Here, this investigation aimed to comprehensively analyze primary and secondary metabolites of three different-Tunisian whole-wheat flour landraces (Beskri, JnehKhottifa and Mahmoudi) using gas chromatography coupled with time-of-flight mass spectrometry (GC-TOFMS). The discrimination of non-trageting metabolite profiles across these three landraces was confirmed using principal component analysis, hierarchical clustering analysis, partial least square-discriminant analysis, and support vector machine. Metabolite profile analysis showed that the highest accumulation of nutraceutical organic and amino acids content, as well as the highest antioxidant activity were observed in the colored wheat flours of JnehKhottifa and Beskri landraces. This later can be considered as the sweetest durum wheat landrace due to its high free sugars content. However, the highest phenolic amount in white flour of Mahmoudi could gives this landrace a partiuclatrity as phenolic-rich new durum wheat variety for future breeding programmes. Network-based correlation analysis identified metablites hubs including mostly amino acids and indicated that these metabolites played significant roles in the authentication of whole-wheat flours from Tunisian durum wheat landraces. In conclusion, our approach supports the usefulness of GC-TOFMS-based metabolite profiling in determining the authenticity and botanical origin of local durum landraces and also for identifing specific metabolites valuable for cereal breeding strategies towards sustainable agriculture.