Interface Adsorption Taking the Most Advantageous Conformation for Electron Transfer Between Graphene and Cytochrome c
Hu, BF; Ge, ZP; Li, XY
刊名JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY
2015
卷号15期号:7页码:4863-4869
关键词Protein-Graphene Interaction Adsorption Conformation Nanomaterials Molecular Dynamics Simulations
学科分类Chemistry; Science & Technology - Other Topics; Materials Science; Physics
DOI10.1166/jnn.2015.9853
通讯作者Xiaoyi Li
文章类型Article
英文摘要Most designed functions in biomedical nanotechnology are directly influenced by interactions of biological molecules with nano surfaces. Here, we explored and detected the most favorable adsorption conformation of cytochrome c on graphene by measuring the adsorption energy, the number of contact atoms, and the minimal distance between protein and surface. From the root mean square deviation of the protein backbone, the radius of gyration, and the proportion of secondary structure, it is revealed that cytochrome c does not deform significantly and the secondary structures are preserved to a large extent. The residues, Lys, Phe and Thr contribute significantly to the adsorption of cytochrome c to graphene. The long hydrophobic and flexible alkyl tail of Lys, the pi-pi stacking interaction between Phe and graphene, and the presence of abundant Thr constitute the driving force for the stable adsorption of cytochrome c on graphene. Cytochrome c is adsorbed to graphene with the group heme lying almost perpendicular to the graphene, and the distance between Fe atom and the graphene is 10.15 angstrom, which is shorter than that between electron donor and receptor in many other biosystems. All the results suggest that the most favorable adsorption takes the most advantageous conformation for electron transfer, which promotes significantly the electron transfer between graphene and cytochrome c. The findings might provide new and important information for designs of biomedical devices or products with graphene-based nanomaterials.
类目[WOS]Chemistry, Multidisciplinary ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter
收录类别SCI ; EI
WOS记录号WOS:000348489200013
引用统计
文献类型期刊论文
条目标识符http://ir.ihep.ac.cn/handle/311005/228070
专题中国科学院高能物理研究所_多学科研究中心_期刊论文
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Hu, BF,Ge, ZP,Li, XY. Interface Adsorption Taking the Most Advantageous Conformation for Electron Transfer Between Graphene and Cytochrome c[J]. JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY,2015,15(7):4863-4869.
APA Hu, BF,Ge, ZP,&Li, XY.(2015).Interface Adsorption Taking the Most Advantageous Conformation for Electron Transfer Between Graphene and Cytochrome c.JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY,15(7),4863-4869.
MLA Hu, BF,et al."Interface Adsorption Taking the Most Advantageous Conformation for Electron Transfer Between Graphene and Cytochrome c".JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY 15.7(2015):4863-4869.
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