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T1  - Functionalization of the Parylene C Surface Enhances the Nucleation of Calcium Phosphate : Combined Experimental and Molecular Dynamics Simulations Approach 
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UR  - http://hdl.handle.net/10138/320611 
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A1  - Golda-Cepa, Monika; Riedlova, Kamila; Kulig, Waldemar; Cwiklik, Lukasz; Kotarba, Andrzej 
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Y1  - 2020 
LA  - eng 
AB  - 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 of -OH, -CHO, and -COOH surface groups significantly enhances th... 
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KW  - molecular dynamics; polymer surface; parylene C; functional groups; calcium phosphate; nucleation mechanism; OXYGEN PLASMA TREATMENT; BIOMINERALIZATION; COATINGS; POLYMER; GROWTH; FABRICATION; SODIUM; CELLS; 114 Physical sciences; 116 Chemical sciences 
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