Abstract
Based on the perspective of whole sorghum food, the polyphenols migration process was analyzed during microwave-combined cooking treatment utilizing wide metabolomics, simulated reactions, and molecular docking. Microstructure confirmed that microwave broke the grain cells, resulting in the elevated polyphenols contents. Flavonoids were significantly released by microwave (e.g. arbutin, eriodictyol-7-o-glucoside, narirutin, and naringenin-7-o-glucoside), which regulated the antioxidant activity of sorghum. Simulated co-gelatinization reaction revealed that polyphenols interacted non-covalently with starch, resulting in higher levels of polyphenols being retained during cooking (711.12 mg GAE/100 g). Molecular docking results exhibited that 6 flavonoids could also bind to the kafirin via hydrogen bonds and hydrophobic interaction during cooking. Meanwhile, the γ-mangostin also possessed stabilized root-mean-square deviation and outstanding binding free energies. The effective retention of bioactive components under synergetic microwave and cooking treatment highlights the potential of natural ingredients in food processing, promoting a more natural approach to modern cereal nutrition.