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A New Insight into Coating’s Formation Mechanism Between TiO2 and Alendronate on Titanium Dental Implant

Petrović, Željka; Šarić, Ankica; Despotović, Ines; Katić, Jozefina; Peter, Robert; Petravić, Mladen; Petković, Marin (2020) A New Insight into Coating’s Formation Mechanism Between TiO2 and Alendronate on Titanium Dental Implant. Materials, 13 (14). ISSN 1996-1944

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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 .

Item Type: Article
Uncontrolled Keywords: titanium dental implant ; alendronate sodium ; surface coating ; DFT ; XPS ; EIS
Subjects: NATURAL SCIENCES > Chemistry
NATURAL SCIENCES > Chemistry > Applied Chemistry
Divisions: Division of Materials Chemistry
Division of Materials Physics
Division of Physical Chemistry
Center of Excellence for Advanced Materials and Sensing Devices
Depositing User: Željka Petrović
Date Deposited: 21 Jul 2020 07:40
DOI: 10.3390/ma13143220

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