Ratio-dependent co-encapsulation of heptanal and 1-octen-3-ol by V-type starch: Structural characterization and molecular dynamics insights.

The encapsulation and interaction mechanisms of off-odors in aquatic products are crucial for the food industry. In this study, flexible V-type starch was utilized to adsorb heptanal and 1-octen-3-ol as representative binary off-odor compounds related to oyster enzymatic hydrolysate. Although 1-octen-3-ol alone has a higher affinity for V-type starch than heptanal, an appropriate proportion of 1-octen-3-ol enhances the encapsulation and loading efficiency of heptanal in the binary system. Compared with the single system, the binary system exhibited lower relative crystallinity and greater enthalpy, suggesting that co-inclusion of the two guest molecules disturbed the long-range crystalline packing while increasing the extent and/or stability of inclusion complex formation. Molecular dynamics simulations suggested that 1-octen-3-ol induced a larger amylose helical cavity and modified the hydrogen-bond network, which may facilitate heptanal accommodation at an appropriate H/O ratio. These findings clarify binary off-odor co-encapsulation by V-type starch and provide a basis for developing starch-based odor-scavenging materials for aquatic foods.