Počet záznamů: 1
Functionalization of the Parylene C Surface Enhances the Nucleation of Calcium Phosphate: Combined Experimental and Molecular Dynamics Simulations Approach
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SYSNO ASEP 0524871 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Functionalization of the Parylene C Surface Enhances the Nucleation of Calcium Phosphate: Combined Experimental and Molecular Dynamics Simulations Approach Tvůrce(i) Golda-Cepa, M. (PL)
Riedlová, Kamila (UFCH-W) ORCID, RID, SAI
Kulig, W. (FI)
Cwiklik, Lukasz (UFCH-W) RID, ORCID
Kotarba, A. (PL)Zdroj.dok. ACS Applied Materials and Interfaces. - : American Chemical Society - ISSN 1944-8244
Roč. 12, č. 11 (2020), s. 12426-12435Poč.str. 10 s. Jazyk dok. eng - angličtina Země vyd. US - Spojené státy americké Klíč. slova oxygen plasma treatment ; biomineralization ; coatings ; polymer ; growth ; fabrication ; sodium ; cells ; molecular dynamics ; polymer surface Vědní obor RIV CF - Fyzikální chemie a teoretická chemie Obor OECD Physical chemistry CEP GA17-06792S GA ČR - Grantová agentura ČR Způsob publikování Omezený přístup Institucionální podpora UFCH-W - RVO:61388955 UT WOS 000526543400005 EID SCOPUS 85082093797 DOI 10.1021/acsami.9b20877 Anotace Interactions at the solid-body fluid interfaces play a vital role in bone tissue formation at the implant surface. In this study, fully atomistic molecular dynamics (MD) simulations were performed to investigate interactions between the physiological components of body fluids (Ca2+, HPO42-, H2PO4-, Na+, Cl-, and H2O) and functionalized parylene C surface. In comparison to the native parylene C (-Cl surface groups), the introduction ofOH,CHO, andCOOH surface groups significantly enhances the interactions between body fluid ions and the polymeric surface. The experimentally observed formation of calcium phosphate nanocrystals is discussed in terms of MD simulations of the calcium phosphate clustering. Surface functional groups promote the clustering of calcium and phosphate ions in the following order:OH >CHO >Cl (parent parylene C) approximate toCOO-. This promoting role of surface functional groups is explained as stimulating the number of Ca2+ and HPO42- surface contacts as well as ion chemisorption. The molecular mechanism of calcium phosphate cluster formation at the functionalized parylene C surface is proposed. Pracoviště Ústav fyzikální chemie J.Heyrovského Kontakt Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Rok sběru 2021 Elektronická adresa http://hdl.handle.net/11104/0309117
Počet záznamů: 1