10.1021/acsami.8b04453.s002
Sang Won Jung
Sang Won
Jung
Han Seul Kim
Han Seul
Kim
Art E. Cho
Art E.
Cho
Yong-Hoon Kim
Yong-Hoon
Kim
Nitrogen
Doping of Carbon Nanoelectrodes for Enhanced Control of DNA Translocation
Dynamics
American Chemical Society
2018
substitutional nitrogen doping
single-stranded DNAs translocating
dynamics simulations
N dopant atoms
gate voltage modulation methods
DNA Translocation Dynamics Controlling
nanopore-based DNA sequencing
DNA translocation speed
edge-on nucleobase configurations
capCNT
DNA translocation dynamics
translocating single-stranded DNAs
CNT
2018-05-09 00:00:00
Media
https://acs.figshare.com/articles/media/Nitrogen_Doping_of_Carbon_Nanoelectrodes_for_Enhanced_Control_of_DNA_Translocation_Dynamics/6286718
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.