Chitosan-GSNO Nanogel Interacting with a Tomato Cuticle Biomimetic Membrane: A Multiscale Spectroscopy-Simulation Study

Delivering nitric oxide (NO) in a controlled and barrier-preserving manner is essential for dermocosmetic, agricultural, and pharmaceutical applications. Using coarse-grained molecular dynamics simulations combined with nanoscale vibrational spectroscopy, we show that a chitosan-TPP-GSNO nanoparticle provides a stable reservoir of NO that interacts selectively with the interfacial region of a-carotene-enriched cuticular membrane. The nanoparticle remains fully solvated and non-adsorbing, avoiding membrane disruption while subtly modulating lipid fluidity. NO remains confined to the headgroup region, where it can react efficiently without penetrating or destabilizing the barrier. Experimental Raman measurements on plant cuticles validate the predicted interfacial reactivity and structural preservation. These results establish a non-invasive, tunable NO-delivery mechanism with strong potential for enhancing skin treatment efficacy, improving postharvest fruit preservation, and enabling localized therapeutic release in lipid-rich biological interfaces.