{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,15]],"date-time":"2026-05-15T13:24:19Z","timestamp":1778851459739,"version":"3.51.4"},"reference-count":74,"publisher":"MDPI AG","issue":"14","license":[{"start":{"date-parts":[[2020,7,20]],"date-time":"2020-07-20T00:00:00Z","timestamp":1595203200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Materials"],"abstract":"<jats:p>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\u2013alendronate interaction indicate a more spontaneous exergonic process when alendronate molecules interact directly with the titanium surface via two strong bonds, Ti\u2013N and Ti\u2013O, 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 M\u03a9 cm2.<\/jats:p>","DOI":"10.3390\/ma13143220","type":"journal-article","created":{"date-parts":[[2020,7,20]],"date-time":"2020-07-20T06:08:17Z","timestamp":1595225297000},"page":"3220","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":17,"title":["A New Insight into Coating\u2019s Formation Mechanism Between TiO2 and Alendronate on Titanium Dental Implant"],"prefix":"10.3390","volume":"13","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-7609-7863","authenticated-orcid":false,"given":"\u017deljka","family":"Petrovi\u0107","sequence":"first","affiliation":[{"name":"Division of Materials Chemistry, Ru\u0111er Bo\u0161kovi\u0107 Institute, Bijeni\u010dka cesta 54, 10002 Zagreb, Croatia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3211-2360","authenticated-orcid":false,"given":"Ankica","family":"\u0160ari\u0107","sequence":"additional","affiliation":[{"name":"Division of Materials Physics, Centre of Excellence for Advanced Materials and Sensing Device, Ru\u0111er Bo\u0161kovi\u0107 Institute, Bijeni\u010dka cesta 54, 10002 Zagreb, Croatia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ines","family":"Despotovi\u0107","sequence":"additional","affiliation":[{"name":"Division of Physical Chemistry, Ru\u0111er Bo\u0161kovi\u0107 Institute, Bijeni\u010dka cesta 54, 10002 Zagreb, Croatia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4163-9009","authenticated-orcid":false,"given":"Jozefina","family":"Kati\u0107","sequence":"additional","affiliation":[{"name":"Department of Electrochemistry, Faculty of Chemical Engineering and Technology, University of Zagreb, Maruli\u0107ev trg 19, 10000 Zagreb, Croatia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Robert","family":"Peter","sequence":"additional","affiliation":[{"name":"Department of Physics and Center for Micro- and Nanosciences and Technologies, University of Rijeka, R. 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