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Unexpected sequence adsorption features of polynucleotide ssDNA on graphene oxide
Ma, HS; Xu, Z; Fang, HP; Lei, XL
2020
Source PublicationPHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISSN1463-9076
Volume22Issue:20Pages:11740-11746
Subtype期刊论文
AbstractThe sequence features of single-stranded DNA (ssDNA) adsorbed on a graphene oxide (GO) surface are important for applications of the DNA/GO functional structure in biosensors, biomedicine, and materials science. In this study, molecular dynamics (MD) simulations were used to examine the adsorption of polynucleotide ssDNAs (A(12), C-12, G(12), and T-12) and single nucleotides (A, C, G, and T) on the GO surface. For the latter case, the nucleotide-GO interaction energy followed the trend G > A > C > T, even though it was influenced by specific adsorption sites. In the case of polynucleotides, unexpectedly polythymidine (T-12) had the strongest interaction with the GO surface. The angle distributions of the adsorbed nucleobases indicated that T-12 was more likely to form a quasi-parallel structure with GO compared to A(12), C-12, or G(12). This was attributed to the weakest pi-stacking interactions of thymine. Weaker intra-molecular base-stacking interactions made it easier to break the structures of pyrimidine bases relative to those of purine bases. Weaker inter-molecular base-stacking interactions between T-12 and the GO surface enabled T-12 to adjust its structure easily to a more stable one by slipping on the surface. This result provides a new understanding of polynucleotide ssDNA adsorption on GO surfaces, which will help in the design of functional DNA/GO structure-based platforms.
KeywordMOLECULAR-DYNAMICS CARBON NANOTUBE NUCLEIC-ACIDS STRANDED-DNA CYTOSINE BINDING SURFACE NANOCOMPOSITES NANOMATERIALS SIMULATIONS
DOI10.1039/d0cp01066a
Indexed BySCI
Language英语
Citation statistics
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/33253
Collection中科院上海应用物理研究所2011-2020年
Affiliation1.Chinese Acad Sci, Div Interfacial Water, Shanghai Inst Appl Phys, POB 800-204, Shanghai 201800, Peoples R China
2.Chinese Acad Sci, Key Lab Interfacial Phys & Technol, Shanghai Inst Appl Phys, POB 800-204, Shanghai 201800, Peoples R China
3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
4.Shanghai Univ Engn Sci, Coll Mech Engn, Shanghai 201620, Peoples R China
5.East China Univ Sci & Technol, Dept Phys, Shanghai 200237, Peoples R China
6.Chinese Acad Sci, Shanghai Adv Res Inst, Zhangjiang Lab, Shanghai 201210, Peoples R China
Recommended Citation
GB/T 7714
Ma, HS,Xu, Z,Fang, HP,et al. Unexpected sequence adsorption features of polynucleotide ssDNA on graphene oxide[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2020,22(20):11740-11746.
APA Ma, HS,Xu, Z,Fang, HP,&Lei, XL.(2020).Unexpected sequence adsorption features of polynucleotide ssDNA on graphene oxide.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,22(20),11740-11746.
MLA Ma, HS,et al."Unexpected sequence adsorption features of polynucleotide ssDNA on graphene oxide".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22.20(2020):11740-11746.
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