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Nitrogen Doping of Carbon Nanoelectrodes for Enhanced Control of DNA Translocation Dynamics

Title
Nitrogen Doping of Carbon Nanoelectrodes for Enhanced Control of DNA Translocation Dynamics
Authors
Jung, Sang WonKim, Han SeulCho, Art E.Kim, Yong-Hoon
Issue Date
2018-05
Citation
ACS Applied Materials and Interfaces, 10(21), 18227-18236
Type
Article
Article Type
Article
Keywords
DNA sequencingcapped carbon nanotubesheteroatom dopingdensity functional theory calculationsmolecular dynamics simulationsSOLID-STATE NANOPORETRANSVERSE ELECTRONIC TRANSPORTEMPIRICAL FORCE-FIELDGRAPHENE NANOPORESMOLECULAR-DYNAMICSNUCLEIC-ACIDSRECENT PROGRESSDOPED GRAPHENENANOTUBESCONDUCTANCE
ISSN
1944-8244
Abstract
Controlling the dynamics of DNA translocation is a central issue in the emerging nanopore-based DNA sequencing. To address the potential of heteroatom doping of carbon nanostructures and for achieving this goal, herein, we carry out atomistic molecular dynamics simulations for single-stranded DNAs translocating between two pristine or doped carbon nanotube (CNT) electrodes. Specifically, we consider the substitutional nitrogen doping of capped CNT (capCNT) electrodes and perform two types of molecular dynamics simulations for the entrapped and translocating single-stranded DNAs. We find that the substitutional nitrogen doping of capCNTs facilitates and stabilizes the edge-on nucleobase configurations rather than the original face-on ones and slows down the DNA translocation speed by establishing hydrogen bonds between the N dopant atoms and nucleobases. Due to the enhanced interactions between DNAs and N-doped capCNTs, the duration time of nucleobases within the nanogap was extended by up to ∼300%. Given the possibility to be combined with the extrinsic light or gate voltage modulation methods, the current work demonstrates that the substitutional nitrogen doping is a promising direction for the control of DNA translocation dynamics through a nanopore or nanogap, based of carbon nanomaterials. © 2018 American Chemical Society.
URI
http://hdl.handle.net/20.500.11750/6670
DOI
10.1021/acsami.8b04453
Publisher
American Chemical Society
Files:
There are no files associated with this item.
Collection:
Supercomputing and Big Data Center1. Journal Articles


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