The diamond material possesses very attractive properties, such as superior electronic properties (when doped), biocompatibility, chemical inertness, in addition to a controllable surface termination. All resulting (and interesting) properties of a terminated diamond surface, make it clear that surface termination is very important for especially those applications in which diamond can function in the field of implant materials.
The present theoretical work has been focused on the combined effect of diamond surface planes and termination, on the adhesion of important biomolecules for bone regeneration and vascularization [Arginine-Glycine-Aspartic acid (RGD), Chitosan, Heparin, Bone Morphogenetic Protein 2 (BMP2), Angiopoietin 1(AGP1), Fibronectin and Vascular Endothelial Growth Factor (VEGF)]. The calculated results, using predominantly force field calculations, show that the binding (non-covalent) of the biomolecules are in proportion with their molecular weights. Three groups of biomolecules were observed for both the diamond (100)-2x1 and (111) planes. The largest BMP2 molecule showed the strongest binding. The weakest binding was presented by the smaller polypeptides: RGD, Chitosan and Heparin. Finally, the third group, with adhesion energies somewhere in between the other two groups, included VEGF, Fibronectin and Angiopoietin. Moreover, the terminated diamond (111) surfaces were generally observed to display a larger binding of the biomolecules, relative to diamond (100)-2x1. In addition, a predominant variation in adhesion energy for the various termination species was observed for the various biomolecules within the present study.