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| 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 | |
| Source Publication | CHEMISTRY-A EUROPEAN JOURNAL
 |
| ISSN | 0947-6539 |
| Volume | 23Issue:53Pages:13100-13104 |
| Subtype | 期刊论文 |
| Abstract | 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. |
| Keyword | Molecular-dynamics Carbon Nanotube Dna Functionalization Simulation Nanomaterials Nanomedicine Nucleobases Challenges Membrane |
| DOI | 10.1002/chem.201701733 |
| Indexed By | SCI |
| WOS Keyword | MOLECULAR-DYNAMICS ; CARBON NANOTUBE ; DNA ; FUNCTIONALIZATION ; SIMULATION ; NANOMATERIALS ; NANOMEDICINE ; NUCLEOBASES ; CHALLENGES ; MEMBRANE |
| Language | 英语 |
| WOS ID | WOS:000411357000022 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.sinap.ac.cn/handle/331007/28621 |
| Collection | 中科院上海应用物理研究所2011-2020年 |
| Recommended Citation 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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| Dynamic Cooperation （1180KB） | 期刊论文 | 作者接受稿 | 开放获取 | CC BY-NC-SA | View Download | |
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