Surface Chemistry, Crystal Structure, Size and Topography Role in the Albumin Adsorption Process on TiO2 Anatase Crystallographic Faces and Its 3D-Nanocrystal: A Molecular Dynamics Study

TiO2 is widely used in biomaterial implants. The topography, chemical and structural properties of titania surfaces are an important aspect to study. size nanoparticles synthetized by sol–gel method can influence the responses biological environment, using appropriate heat treatments different contents polymorphs be formed. Protein adsorption a crucial step for responses, involving, particular, albumin, most abundant blood protein. In this theoretical work, molecular mechanics dynamics methods, process albumin subdomain reported both onto specific crystallographic faces anatase also on its ideal three-dimensional nanosized crystal, simulation protocol proposed my previous studies about hydrophobic ordered graphene-like or hydrophilic amorphous polymeric surfaces. surface chemistry crystalline nanocrystal topography process, particular interaction strength protein fragment conformation, then activity. This study useful tool better understand how chemistry, crystal structure, play key role so as biomaterial.