Revolutionary SquarE-Phase 2D Materials for AdvanCed NIR-active AntimicrObial CoATings (REDCOAT)

ongoing

"The emergence of antibiotic-resistant superbugs necessitates the development of innovative antimicrobial strategies. The ""Revolutionary Square-Phase 2D Materials for Advanced NIR-active Antimicrobial Coatings (REDCOAT)"" project aims to address this challenge by leveraging the unique properties of square-phase transition metal dichalcogenides (TMDCs), specifically MoS2 and WS2, to design advanced antimicrobial coatings on titanium implants. REDCOAT will explore the synthesis, surface modification, and application of square-phase TMDC nanosheets, targeting their integration into next-generation NIR-active antimicrobial coatings. MoS2/WS2 nanosheets will be synthesised with precisely controlled dimensions (100-500 nm edge lengths, 3-10 nm thickness) to exploit their NIR absorption and photothermal conversion capabilities. These nanosheets will be functionalized with an Iron-Gallic Acid-based metal-phenolic network (MPN) to enhance the interaction with bacterial membranes while ensuring biocompatibility. The functionalized TMDCs will be uniformly coated onto Ti6Al4V alloy implants, aiming for a coating thickness of 10-50 µm and surface roughness of 50-200 nm, optimised for effective antimicrobial activity and improved osseointegration. To elucidate the interaction mechanisms between these coatings and bacterial cells, molecular dynamics (MD) simulations will be performed at 310 K with femtosecond resolution. These simulations will focus on the deformation of lipid bilayers and pore formation under different TMDC coverage levels (5%, 10%, 20%), providing insights into the antimicrobial efficacy of the coatings. Complementing this, in vitro biocompatibility studies will be conducted using human mesenchymal stem cells (hMSCs) seeded on the coated Ti6Al4V discs, assessing cell viability, proliferation, and differentiation. The antimicrobial efficiency of the coatings will be tested against common pathogens and superbugs. "