How to Control the Release Behavior of Insect Sex Pheromones Using Nanomicro Fiber: Insights from Experiment and Molecular Dynamics Simulation DOI
Wenjie Shangguan, Xinyu Song, Huiping Chen

et al.

Journal of Agricultural and Food Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: May 20, 2025

Polymer-based electrospun fibers can effectively sustain pheromone release for pest control, yet their regulatory mechanisms remain unclear. In this study, from various polymers were loaded with multicomponent sex pheromones of Grapholitha molesta and characterized. Release tests showed that poly(3-hydroxybutyrate-co-4-hydroxybutyrate) (PHB) released 90% in 81.93 days, compared to 14.01 days polycaprolactone fibers. Molecular dynamics (MD) simulations revealed diffused through the polymer network via vibrations, cavity formation, jumping. PHB exhibited lowest diffusion coefficient (0.0064 × 10-9 m2 s-1) highest activation energy (24.56 kJ mol-1). Additionally, good crystallinity crystal arrangement, thereby enhancing restriction on molecules. By combining MD experimental studies, molecular structure, intermolecular forces, identified as main factors regulating behavior these Finally, trapping experiments confirmed effectiveness, indicating studies guide field applications.

Language: Английский

How to Control the Release Behavior of Insect Sex Pheromones Using Nanomicro Fiber: Insights from Experiment and Molecular Dynamics Simulation DOI
Wenjie Shangguan, Xinyu Song, Huiping Chen

et al.

Journal of Agricultural and Food Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: May 20, 2025

Polymer-based electrospun fibers can effectively sustain pheromone release for pest control, yet their regulatory mechanisms remain unclear. In this study, from various polymers were loaded with multicomponent sex pheromones of Grapholitha molesta and characterized. Release tests showed that poly(3-hydroxybutyrate-co-4-hydroxybutyrate) (PHB) released 90% in 81.93 days, compared to 14.01 days polycaprolactone fibers. Molecular dynamics (MD) simulations revealed diffused through the polymer network via vibrations, cavity formation, jumping. PHB exhibited lowest diffusion coefficient (0.0064 × 10-9 m2 s-1) highest activation energy (24.56 kJ mol-1). Additionally, good crystallinity crystal arrangement, thereby enhancing restriction on molecules. By combining MD experimental studies, molecular structure, intermolecular forces, identified as main factors regulating behavior these Finally, trapping experiments confirmed effectiveness, indicating studies guide field applications.

Language: Английский

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