文献类型：期刊文献

中文题名：Oxidation degree dependent adsorption of ssDNA onto graphene-based surface

作者：Huishu Ma[1,2];Jige Chen[1,4];Haiping Fang[3,4];Xiaoling Lei[3]

机构：[1]Division of Interfacial Water and Key Laboratory of Interfacial Physics and Technology,Shanghai Institute of Applied Physics,Chinese Academy of Sciences,Shanghai 201800,China;[2]University of Chinese Academy of Sciences,Beijing 100049,China;[3]Department of Physics,East China University of Science and Technology,Shanghai 200237,China;[4]Shanghai Synchrotron Radiation Facility,Zhangjiang Laboratory,Shanghai Advanced Research Institute,Chinese Academy of Sciences,Shanghai 201210,China

年份：2021

卷号：30

期号：10

起止页码：488

中文期刊名：Chinese Physics B

外文期刊名：中国物理B（英文版）

收录：CSTPCD;;Scopus;CSCD:【CSCD2021_2022】；

基金：We gratefully acknowledge Prof. Guosheng Shi, Dr. Rongzheng Wan and Dr. Yongshun Song for the helpful discussions and their crucial reading of this manuscript. This work is also supported by the supercomputer Center of the Chinese Academy of Sciences, and the Shanghai Supercomputer Center of China.

语种：英文

中文关键词：single-strand DNA(ssDNA);molecular dynamics simulation;oxidation degrees;graphene-based surfaces

摘要：DNA/GO composite plays a significant role in the research field of biotechnology and nanotechnology,and attracts a great deal of interest.However,it is still unclear how the oxidation degree of the graphene-based surface affects the adsorption process of single-strand DNA(ssDNA).In this paper,based on the molecular dynamics simulations,we find that ssDNA molecule is absorbed on the GO surface in the most stable state with the oxidation degree around 15%.The microscopic mechanism is attributed to the van Der Walls and the electrostatic interactions between the ssDNA molecule and the graphene-based surface,which is accompanied with theπ-πstacking and hydrogen bond formation.The number ofπ-πstacking between ssDNA and GO reaches the maximum value when the oxidation degree is around 15%among all the GO surfaces.Our simulation results also reveal the coexistence of stretched and curved configurations as well as the adsorption orientation of ssDNA on the GO surface.Furthermore,it is found that the absorbed ssDNA molecules are more likely to move on the graphene-based surface of low oxidation degree,especially on pristine graphene.Our work provides the physics picture of ssDNA’s physisorption dynamics onto graphene-based surface and it is helpful in designing DNA/GO nanomaterials.