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Chin. Phys. B, 2021, Vol. 30(10): 106806    DOI: 10.1088/1674-1056/abf109

Oxidation degree dependent adsorption of ssDNA onto graphene-based surface

Huishu Ma(马慧姝)1,2, Jige Chen(陈济舸)1,4, Haiping Fang(方海平)3,4, and Xiaoling Lei(雷晓玲)3,†
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
Abstract  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 the π-π stacking and hydrogen bond formation. The number of π-π stacking 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.
Keywords:  single-strand DNA (ssDNA)      molecular dynamics simulation      oxidation degrees      graphene-based surfaces  
Received:  07 January 2021      Revised:  04 March 2021      Accepted manuscript online:  23 March 2021
PACS:  68.43.Mn (Adsorption kinetics ?)  
  68.47.Gh (Oxide surfaces)  
  87.14.gk (DNA)  
  34.35.+a (Interactions of atoms and molecules with surfaces)  
Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 11305237 and 11974366), the Fundamental Research Funds for the Central Universities, China, the Natural Science Foundation of Shanghai, China (Grant No. 19ZR1463200), and the Key Research Program of Chinese Academy of Sciences (Grant No. QYZDJ-SSW-SLH053).
Corresponding Authors:  Xiaoling Lei     E-mail:

Cite this article: 

Huishu Ma(马慧姝), Jige Chen(陈济舸), Haiping Fang(方海平), and Xiaoling Lei(雷晓玲) Oxidation degree dependent adsorption of ssDNA onto graphene-based surface 2021 Chin. Phys. B 30 106806

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