Abstract
Organophosphorus compounds, like bisphosphonates, drugs for treatment and prevention of bone diseases, have been successfully applied in recent years as bioactive and osseoinductive coatings on dental implants. An integrated experimental-theoretical approach was utilized in this study to clarify the mechanism of bisphosphonate-based coating formation on dental implant surfaces. Experimental validation of the alendronate coating formation on the titanium dental implant surface was carried out by X-ray photoelectron spectroscopy and contact angle measurements. Detailed theoretical simulations of all probable molecular implant surface/alendronate interactions were performed employing quantum chemical calculations at the density functional theory level. The calculated Gibbs free energies of (TiO2)10–alendronate interaction indicate a more spontaneous exergonic process when alendronate molecules interact directly with the titanium surface via two strong bonds, Ti–N and Ti–O, through simultaneous participation common to both phosphonate and amine branches. Additionally, the stability of the alendronate-modified implant during 7 day-immersion in a simulated saliva solution has been investigated by using electrochemical impedance spectroscopy. The alendronate coating was stable during immersion in the artificial saliva solution and acted as an additional barrier on the implant with overall resistivity, R ~ 5.9 MΩ cm2.
Highlights
State-of-the-art investigations of orthopedic and dental implants are focused on bone-inspired surface modification [1,2,3,4]
Density functional theory (DFT) results were correlated with experimental results of wetting properties and XPS measurements, and these findings enabled to suggest general conclusions regarding the alendronate coating formation mechanism on the oxide-covered (TiO2 ) implant surface
The assumption is that the alendronate coating will attract bone-building cells, osteoblasts to the implant surface, and accelerates the osseointegration process that will be tested in the continuation of investigations
Summary
Željka Petrović 1, * , Ankica Šarić 2, * , Ines Despotović 3 , Jozefina Katić 4 , Robert Peter 5 , Mladen Petravić 5 and Marin Petković 6. Division of Materials Physics, Centre of Excellence for Advanced Materials and Sensing Device, Ruder
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