Controlled Release and Antibacterial Performance of Terpinen-4-ol/β-CD Liquid Bandages

Liquid bandages are employed as initial therapeutic interventions to protect wounds from environmental contaminants and reduce infection risk. Terpinen-4-ol (T-4-ol) exhibits significant antibacterial potential and promotes wound healing; however, its physicochemical properties impose limitations on its practical applications. These limitations were addressed herein by developing inclusion complexes of T-4-ol with β-cyclodextrin (β-CD) based on noncovalent interactions, referred to as T-4-ol/β-CDs. Furthermore, an advanced PVA/PAA-based liquid bandage incorporating T-4-ol/β-CD was developed herein to enhance its therapeutic potential. In silico and experimental methodologies, including molecular dynamics simulations, were integrated herein to provide a comparative and comprehensive analysis of the mechanistic interactions between the T-4-ol/β-CDs and polymer chains of poly-(vinyl alcohol) (PVA) and poly-(acrylic acid) (PAA), as well as the interchain interactions within the polymer matrix. PVA exhibited greater hydrogen bonding and atom contacts with T-4-ol/β-CDs, indicative of stronger, more stable interactions that enhanced encapsulation and retention of the active compound, whereas PAA showed weaker interactions, contributing to pH-responsive release properties. Additionally, experimental techniques were employed to evaluate the properties of the liquid bandage following the incorporation of T-4-ol/β-CDs. The liquid bandage with incorporated T-4-ol/β-CDs demonstrated sustained release properties over a 12-h period as well as significant antibacterial activity. Moreover, the liquid bandage did not exhibit any cytotoxic characteristics and potentially promotes tissue regeneration.