“Box-Behnken Design for optimizing the synthesis of chitosan/PVA/Camellia sinensis essential oil composite: Thermal stability, in vitro release, antioxidant, in silico studies and antibacterial activities”

Author's Department

Chemistry Department

Fifth Author's Department

Chemistry Department

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https://doi.org/10.1016/j.ijbiomac.2025.142724

All Authors

Amro Shetta Aya Osama Asmaa A. Hanafi Isra H. Ali Noha El Salakawy Wael Mamdouh

Document Type

Research Article

Publication Title

International Journal of Biological Macromolecules

Publication Date

5-1-2025

doi

10.1016/j.ijbiomac.2025.142724

Abstract

Bacterial pathogens and chemical contaminants in food threaten human health globally. This work addresses two critical knowledge gaps: optimizing Camellia sinensis Oil (CSO) incorporation into chitosan/polyvinyl alcohol (CS/PVA) matrices and elucidating antibacterial mechanisms through in-silico docking, advancing bio-based packaging for food safety. Box-Behnken Design optimized CSO-loaded films for chemical, physical, and mechanical properties. Films were characterized using SEM, FTIR spectroscopy, and TGA, then tested for antioxidant activity, water vapor permeability, transparency, and mechanical properties including tensile strength and elongation at break. CSO release from the matrix followed a biphasic profile at pH 7.4, with 20 % burst release within 12 h followed by sustained release over 72 h, governed by Hixson-Crowell matrix degradation mechanisms. To understand binding interactions, in-silico docking studies were conducted between 4-vinylguaiacol (key CSO component) and target proteins (DNA Gyrase, Sortase A, and SPI4) from Escherichia coli (E. coli), Staphylococcus aureus (S. aureus), and Salmonella Typhi (S. Typhi), respectively, revealing strong binding affinities (−5 to −8.1 Kcal/mol). The developed CSO-loaded films demonstrated significant antibacterial enhancement compared to unloaded films: 30-fold against gram-positive S. aureus, 13.4-fold and 7-fold against gram-negative S. Typhi and E. coli, respectively, confirming optimal CSO incorporation substantially improved food packaging safety and effective antibacterial protection.

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