Comparison of Adsorption of Proteins at Different Sizes on Pristine Graphene and Graphene Oxide
| Autor: | Junlang Chen, Xiaogang Wang, Yi-yi Gao, Zuo-si Yu, Guoquan Zhou, Songwei Zeng |
|---|---|
| Rok vydání: | 2018 |
| Předmět: |
chemistry.chemical_classification
Biocompatibility Globular protein Graphene Oxide 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology Electrostatics 01 natural sciences 0104 chemical sciences law.invention Molecular dynamics chemistry.chemical_compound Adsorption chemistry Chemical engineering law Physical and Theoretical Chemistry 0210 nano-technology Protein secondary structure |
| Zdroj: | Chinese Journal of Chemical Physics. 31:85-91 |
| ISSN: | 2327-2244 1674-0068 |
| DOI: | 10.1063/1674-0068/31/cjcp1707138 |
| Popis: | Using all-atom molecular dynamics (MD) simulations, we have investigated the adsorption stability and conformation change of different proteins on the surface of pristine graphene (PG) and graphene oxide (GO). We find that: (i) with the cooperation of the electrostatic interactions between proteins and oxygen-containing groups, GO shows better adsorption stability than PG; (ii) the peptide loses its secondary structure on both PG and GO surface, and the α-helix structure of the protein fragment is partially broken on PG surface, but is well preserved on GO surface, while the secondary structure of globular protein has no distinct change on both PG and GO surface. In general, GO presents better biocompatibility than PG. Our results are of significant importance to understand the interactions between proteins and PG/GO and the applications of PG/GO in biotechnology and biomedicine. |
| Databáze: | OpenAIRE |
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