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Issue 9, 2019
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Atomistic understanding of interfacial interactions between bone morphogenetic protein-7 and graphene with different oxidation degrees

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Abstract

Bone morphogenetic protein (BMP) adsorption plays an important role in the osteoinduction properties of graphene (G)-based biomaterials. Meanwhile, the physical and chemical properties of G vary in a large range according to the different oxidation degrees. In this study, molecular dynamic simulations were utilized to understand the interfacial interactions of G's oxidation degree on the BMP-7 adsorption behaviors. According to the adsorption energy, the distance distribution of BMP-7 adsorption sites/G, and artificial intelligence based principal component analysis, the effects of G's oxidation degree on BMP-7 adsorption were systematically studied. Then, the variations of the BMP-7 configuration were explored by the analysis of the secondary structures, root mean square deviation and Ramachandran plots. It is indicated that the adsorption of BMP-7 on G is strongly related to its oxidation rate. The surface polarities and the wrinkle degrees of G can be regulated by the oxidation rate and consequently impact the interactions between BMP-7 and G. A 50% oxidation degree of G exhibits the equilibrated regulation effects on both the adsorption strength and the configurations of BMP-7. Our study provides critical information on the relationship between BMP-7 adsorption and the oxidation degree of G at the atomistic scale, which can guide the design of novel BMP-7 loaded G-based tissue engineering scaffolds.

Graphical abstract: Atomistic understanding of interfacial interactions between bone morphogenetic protein-7 and graphene with different oxidation degrees

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Publication details

The article was received on 21 May 2019, accepted on 05 Jul 2019 and first published on 12 Jul 2019


Article type: Research Article
DOI: 10.1039/C9QM00324J
Mater. Chem. Front., 2019,3, 1900-1908

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    Atomistic understanding of interfacial interactions between bone morphogenetic protein-7 and graphene with different oxidation degrees

    J. Hou, B. Liu, Y. Zhang, X. Lu, C. Liu, Y. Tang, M. Wang, F. Dong, Y. Ni and H. Zhang, Mater. Chem. Front., 2019, 3, 1900
    DOI: 10.1039/C9QM00324J

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