Wheat aroma biomarkers induced by saline-alkali soil: based on HS-SPME-GC-MS and molecular docking

Background: The precise volatile compounds accountable for the characteristic scent of the wheat aroma were presently unidentified. Given the prominent manifestation of "wheat aroma" in wheat cultivated in saline-alkali (SA) soil, five wheat varieties planted in saline-alkali soil and control soil (low saline-alkali soil) to create "rich-aroma" and "bland-aroma" samples, respectively. Methods: -tests, relative odor activity values (ROAVs), and molecular docking analysis. Results: < 0.05) in the peak areas and relative contents of limonene (>109.74% increase), β-pinene (> 474.09% increase) contrasted with reduced butanoic acid (>38.71% reduction) and (E,E)-3,5-octadien-2-one (>16.05% reduction) in saline-alkali soil-cultivated wheats. Molecular docking demonstrated high binding energies ( 1). Conclusion: Limonene, β-pinene and (E,E)-3,5-octadien-2-one are identified as possible saline-alkali soil-induced wheat aroma biomarkers, and offer theoretical insights for verificating wheat aroma. Identifying potential characteristic biomarkers in wheat under saline-alkali stress provides important theoretical insights for improving the flavor characteristics of wheat.