MODELLING MESOSCALE DIFFUSION PROCESSES IN A BIOARTIFICIAL MEMBRANE

This study describes our current efforts to establish a protocol based on bead-spring approach encoded in Dissipative Particle Dynamics (DPD) to investigate Gentamicin diffusion through Chitosan-PVA membranes. Chitosan-PVA-Gentamicin mesoscale computational bulk models of 10* 10* 10 reduced units (r.u.) were implemented and equilibrated in 100,000 steps by means of DPD calculation, and Gentamicin release profile was studied. Chitosan-PVA membranes were obtained and investigated concerning material structural morphology and biocompatibility. The material displays a homogeneous distribution of polymeric chains and is not cytotoxic. An good agreement was found between experiments and simulations concerning both Gentamicin molecule diffusion and material morphology.