期刊
MICRO & NANO LETTERS
卷 12, 期 7, 页码 490-493出版社
INST ENGINEERING TECHNOLOGY-IET
DOI: 10.1049/mnl.2017.0030
关键词
DNA; molecular biophysics; molecular configurations; electronic structure; carbon nanotubes; molecular dynamics method; ab initio calculations; nanobiotechnology; DNA conformation; electronic structure; carbon nanotubes; molecular dynamics method; first principles study; single-walled carbon nanotubes; SWCNT; orbital; conformational change; ssDNA; general-sequence oligonucleotide adsorption; - stacking interactions; electrostatic interactions; torsional interactions; sugar-phosphate backbone; C
资金
- Natural Science Foundation of China [51664047]
- Foundations from the Department of Education in Jiangxi Province [GJJ161187]
The conformation and electronic structure of DNA in single-walled carbon nanotubes (SWCNT) were studied by combining molecular dynamics and first-principles methods. It was found that the orbital of the SWCNT inner wall induces a conformational change in single stranded DNA (ssDNA) and promotes the adsorption of general-sequence oligonucleotides on the inner walls of the SWCNTs due to - stacking interactions. Moreover, they found that the adsorbed oligonucleotides form a helix because of electrostatic and torsional interactions within the sugar-phosphate backbone.
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