文献类型：期刊文献

中文题名：Adsorption dynamics of double-stranded DNA on a graphene oxide surface with both large unoxidized and oxidized regions

英文题名：Adsorption dynamics of double-stranded DNA on a graphene oxide surface with both large unoxidized and oxidized regions

作者：Wu, Mengjiao[1,2,3];Ma, Huishu[4];Fang, Haiping[5];Yang, Li[1];Lei, Xiaoling[5]

机构：[1]Guangxi Normal Univ, Coll Phys Sci & Technol, Guilin 541004, Peoples R China;[2]Chinese Acad Sci, Shanghai Inst Appl Phys, Div Interfacial Water, Shanghai 201800, Peoples R China;[3]Chinese Acad Sci, Shanghai Inst Appl Phys, Key Lab Interfacial Phys & Technol, Shanghai 201800, Peoples R China;[4]Changzhou Vocat Inst Mechatron Technol, Profess Basic Dept, Changzhou 213164, Peoples R China;[5]East China Univ Sci & Technol, Sch Phys, Shanghai 200237, Peoples R China

年份：2023

卷号：32

期号：1

中文期刊名：Chinese Physics B

外文期刊名：CHINESE PHYSICS B

收录：CSTPCD;;EI(收录号：20230213349416);Scopus;WOS:【SCI-EXPANDED(收录号:WOS:000901508400001)】；CSCD:【CSCD2023_2024】；

基金：We gratefully acknowledge Dr Liuhua Mu and Dr Zejun Zhang for helpful discussions and their crucial reading of this manuscript.Project supported by the National Natural Science Foundation of China (Grant No.11974366), the Fundamental Research Funds for the Central Universities, China, 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：double-strand DNA(dsDNA);molecular dynamics simulation;adsorption dynamic;graphene oxide

外文关键词：double-strand DNA (dsDNA); molecular dynamics simulation; adsorption dynamic; graphene oxide

摘要：The adsorption dynamics of double-stranded DNA(dsDNA)molecules on a graphene oxide(GO)surface are important for applications of DNA/GO functional structures in biosensors,biomedicine and materials science.In this work,molecular dynamics simulations were used to examine the adsorption of different length dsDNA molecules(from 4 bp to24 bp)on the GO surface.The dsDNA molecules could be adsorbed on the GO surface through the terminal bases and stand on the GO surface.For short dsDNA(4 bp)molecules,the double-helix structure was partially or totally broken and the adsorption dynamics was affected by the structural fluctuation of short dsDNA and the distribution of the oxidized groups on the GO surface.For long dsDNA molecules(from 8 bp to 24 bp)adsorption is stable.By nonlinear fitting of the contact angle between the axis of the dsDNA molecule and the GO surface,we found that a dsDNA molecule adsorbed on a GO surface has the chance of orienting parallel to the GO surface if the length of the dsDNA molecule is longer than 54 bp.We attributed this behavior to the flexibility of dsDNA molecules.With increasing length,the flexibility of dsDNA molecules also increases,and this increasing flexibility gives an adsorbed dsDNA molecule more chance of reaching the GO surface with the free terminal.This work provides a whole picture of adsorption of dsDNA molecules on the GO surface and should be of benefit for the design of DNA/GO based biosensors.
The adsorption dynamics of double-stranded DNA (dsDNA) molecules on a graphene oxide (GO) surface are important for applications of DNA/GO functional structures in biosensors, biomedicine and materials science. In this work, molecular dynamics simulations were used to examine the adsorption of different length dsDNA molecules (from 4 bp to 24 bp) on the GO surface. The dsDNA molecules could be adsorbed on the GO surface through the terminal bases and stand on the GO surface. For short dsDNA (4 bp) molecules, the double-helix structure was partially or totally broken and the adsorption dynamics was affected by the structural fluctuation of short dsDNA and the distribution of the oxidized groups on the GO surface. For long dsDNA molecules (from 8 bp to 24 bp) adsorption is stable. By nonlinear fitting of the contact angle between the axis of the dsDNA molecule and the GO surface, we found that a dsDNA molecule adsorbed on a GO surface has the chance of orienting parallel to the GO surface if the length of the dsDNA molecule is longer than 54 bp. We attributed this behavior to the flexibility of dsDNA molecules. With increasing length, the flexibility of dsDNA molecules also increases, and this increasing flexibility gives an adsorbed dsDNA molecule more chance of reaching the GO surface with the free terminal. This work provides a whole picture of adsorption of dsDNA molecules on the GO surface and should be of benefit for the design of DNA/GO based biosensors.