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Article Abstract
This study combined reactive molecular dynamics (RMD) simulation with experimental verification to investigate the degradation of deoxynivalenol (DON) in wheat grains by sodium bicarbonate assisted cold plasma (SB-CP). The results showed that SB-CP treatment increased the degradation rate of DON from 52.88 % to 80.54 % and effectively improved the quality of wheat. The RMD simulation and reactive particles measurements confirmed that the increase in the degradation rate was due to SB promoting more reactive particles. By combining the five degradation products identified by LC-MS with the possible intermediate products obtained from the simulation, and based on the ease of formation and cleavage of chemical bonds in the DON molecule by reactive particles, the specific formation pathways of these products and the mechanisms of each reaction site were revealed, mainly involving the C9C10 double bond, the C12-C13 epoxy ring, and hydroxyl groups.
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| http://dx.doi.org/10.1016/j.foodchem.2025.144785 | DOI Listing |
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