Fabrication and evaluation of polylactic acid-curcumin containing carbon nanotubes (CNTs) wound dressing using electrospinning method with experimental and computational approaches

The development of advanced wound dressings has seen a significant leap with the integration of biodegradable nanofibers. This study introduces an innovative approach by designing polylactic acid (PLA)-curcumin nanofiber wound dressings enhanced with carbon nanotubes (CNTs). Using the electrospinning method, various formulations were crafted, incorporating diverse weight percentages of curcumin and CNTs. Comprehensive analyses, including FT-IR and SEM, confirmed the structural and physical integrity of the nanofibers, while tensile testing revealed a notable enhancement in mechanical strength with the addition of CNTs. Drug release evaluations highlighted a controlled and predictable release pattern of curcumin across all samples. Water absorption tests demonstrated the ability of PLA nanofibers to absorb up to 364%, with PLA-Cur-0.03%CNT samples absorbing 163%, showcasing their adaptability to wound exudates. Importantly, cytotoxicity assessments confirmed the biocompatibility of all samples, with high cell viability observed after 3 and 7 days. Antibacterial tests underscored the efficacy of CNT-incorporated samples, with PLA-Cur-0.05%CNT achieving the highest antibacterial activity at 78.95%. Additionally, using Density Functional Theory (DFT) calculations, the transition state, HOMO-LUMO energy, and equilibrium constant were explored, revealing higher equilibrium constants for keto-enol transformations compared to enol-keto in various solvents. Tautomeric conversion is easier in polar solvents due to the stability of charged species. HOMO-LUMO energy analysis revealed the stability and chemical activity of curcumin in solvents. This comprehensive research not only highlighted the mechanical, antibacterial, and drug delivery capabilities of the wound dressing but also provided an innovative approach for designing and optimizing pharmaceutical compounds under challenging chemical environments through advanced modeling and computational techniques.