Dynamic Cooperation of Hydrogen Binding and pi Stacking in ssDNA Adsorption on Graphene Oxide

doi:10.1002/chem.201701733

CAS OpenIR > 中科院上海应用物理研究所2011-2018年

	Dynamic Cooperation of Hydrogen Binding and pi Stacking in ssDNA Adsorption on Graphene Oxide
	Xu, Z; Lei, XL; Tu, YS; Tan, ZJ; Song, B; Fang, HP
	2017
发表期刊	CHEMISTRY-A EUROPEAN JOURNAL
ISSN	0947-6539
卷号	23 期号:53 页码:13100-13104
文章类型	期刊论文
摘要	Functional nanoscale structures consisting of a DNA molecule coupled to graphene or graphene oxide (GO) have great potential for applications in biosensors, biomedicine, nanotechnology, and materials science. Extensive studies using the most sophisticated experimental techniques and theoretical methods have still not clarified the dynamic process of single-stranded DNA (ssDNA) adsorbed on GO surfaces. Based on a molecular dynamics simulation, this work shows that an ssDNA segment could be stably adsorbed on a GO surface through hydrogen bonding and pi-pi stacking interactions, with preferential binding to the oxidized rather than to the unoxidized region of the GO surface. The adsorption process shows a dynamic cooperation adsorption behavior; the ssDNA segment first captures the oxidized groups of the GO surface by hydrogen bonding interaction, and then the configuration relaxes to maximize the pi-pi stacking interactions between the aromatic rings of the nucleobases and those of the GO surface. We attributed this behavior to the faster forming hydrogen bonding interaction compared to pi-pi stacking; the pi-pi stacking interaction needs more relaxation time to regulate the configuration of the ssDNA segment to fit the aromatic rings on the GO surface.
关键词	Molecular-dynamics Carbon Nanotube Dna Functionalization Simulation Nanomaterials Nanomedicine Nucleobases Challenges Membrane
DOI	10.1002/chem.201701733
关键词[WOS]	MOLECULAR-DYNAMICS ; CARBON NANOTUBE ; DNA ; FUNCTIONALIZATION ; SIMULATION ; NANOMATERIALS ; NANOMEDICINE ; NUCLEOBASES ; CHALLENGES ; MEMBRANE
收录类别	SCI
语种	英语
WOS记录号	WOS:000411357000022
引用统计
文献类型	期刊论文
条目标识符	http://ir.sinap.ac.cn/handle/331007/28621
专题	中科院上海应用物理研究所2011-2018年
推荐引用方式 GB/T 7714	Xu, Z,Lei, XL,Tu, YS,et al. Dynamic Cooperation of Hydrogen Binding and pi Stacking in ssDNA Adsorption on Graphene Oxide[J]. CHEMISTRY-A EUROPEAN JOURNAL,2017,23(53):13100-13104.
APA	Xu, Z,Lei, XL,Tu, YS,Tan, ZJ,Song, B,&Fang, HP.(2017).Dynamic Cooperation of Hydrogen Binding and pi Stacking in ssDNA Adsorption on Graphene Oxide.CHEMISTRY-A EUROPEAN JOURNAL,23(53),13100-13104.
MLA	Xu, Z,et al."Dynamic Cooperation of Hydrogen Binding and pi Stacking in ssDNA Adsorption on Graphene Oxide".CHEMISTRY-A EUROPEAN JOURNAL 23.53(2017):13100-13104.

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