Theoretical modeling approach for adsorption of fibronectin on the nanotopographical implants

Abstract

The success of orthopedic implants depends on the sufficient integration between tissue and implant, which is influenced by the cellular responses to their microenvironment. The conformation of adsorbed extracellular matrix is crucial for cellular behavior instruction via manipulating the physiochemical features of materials. To investigate the electrostatic adsorption mechanism of fibronectin on nanotopographies, a theoretical model was established to determine surface charge density and Coulomb’s force of nanotopography – fibronectin interactions using a Laplace equation satisfying the boundary conditions. Surface charge density distribution of nanotopographies with multiple random fibronectin was simulated based on random number and Monte Carlo hypothesis. The surface charge density on the nanotopographies was compared to the experimental measurements, to verify the effectiveness of the theoretical model. The model was implemented to calculate the Coulomb force generated by nanotopographies to compare the fibronectin adsorption. This model has revealed the multiple random quantitative fibronectin electrostatic adsorption to the nanotopographies, which is beneficial for orthopedic implant surface design. Significance: The conformation and distribution of adsorbed extracellular matrix on biomedical implants are crucial for directing cellular behaviors. However, the Ti nanotopography-ECM interaction mechanism remains largely unknown. This is mostly because of the interactions that are driven by electrostatic force, and any experimental probe could interfere with the electric field between the charged protein and Ti surface. A theoretical model is hereby proposed to simulate the adsorption between nanotopographies and fibronectin. Random number and Monte Carlo hypothesis were applied for multiple random fibronectin simulation, and the Coulomb’s force between nanoconvex and nanoconcave structures was comparatively analyzed.