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Comparison of Adsorption of Proteins at Different Sizes on Pristine Graphene and Graphene Oxide

不同尺度的蛋白质在纯石墨烯及氧化石墨烯表面的吸附比较(英文)

作     者:虞佐嗣 高依依 汪小刚 周国泉 曾松伟 陈均朗 

作者机构:浙江农林大学理学院杭州311300 浙江农林大学信息工程学院杭州311300 

出 版 物:《Chinese Journal of Chemical Physics》 (化学物理学报(英文))

年 卷 期:2018年第31卷第1期

页      面:85-91,I0002页

核心收录:

学科分类:081704[工学-应用化学] 07[理学] 070304[理学-物理化学(含∶化学物理)] 08[工学] 0817[工学-化学工程与技术] 0703[理学-化学] 

基  金:supported by the National Natural Science Foundation of China(No.61575178 and No.11574272) the Zhejiang Provincial Natural Science Foundation of China(No.LY16A040014 and LY18A040001) the Scientific Research and Developed Fund of Zhejiang A&F University(No.2015FR022) 

主  题:Graphene Graphene oxide Protein Adsorption Molecular dynamics simula-tion 

摘      要: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 a-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.

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