Water permeation across a single-walled carbon nanotube (SWNT) under the influence of a mobile external charge has been studied with molecular dynamics simulations. This designed nanopore shows an excellent on–off gating behavior by a single external charge (of value +1.0e): it is both sensitive to the available charge signal when it is close (less than a critical distance of 0.85 Å or about half the size of a water molecule) and effectively resistant to charge noise, i.e., the effect on the flow and net flux across the channel is found to be negligible when the charge is >0.85 Å away from the wall of the nanopore. This critical distance can be estimated from the interaction balance for the water molecule in the SWNT closest to the imposed charge with its neighboring water molecules and with the charge. The flow and net flux decay exponentially with respect to the difference between these two interaction energies when the charge gets closer to the wall of the SWNT and reaches a very small value once the charge crosses the wall, suggesting a dominating effect on the permeation properties from local water molecules near the external charge. These findings might have biological implications because membrane water channels share a similar single-file water chain inside these nanoscale channels.

An important issue in nanopore sensing is to construct stable and versatile sensors that can discriminate analytes with minute differences. Here we report a means of creating nanopores that comprise ultrashort single-walled carbon nanotubes inserted into a lipid bilayer. We investigate the ion transport and DNA translocation through single-walled carbon nanotube nanopores and find that our results are fundamentally different from previous studies using much longer single-walled carbon nanotubes. Furthermore, we utilize the new single-walled carbon nanotube nanopores to selectively detect modified 5-hydroxymethylcytosine in single-stranded DNA, which may have implications in screening specific genomic DNA sequences. This new nanopore platform can be integrated with many unique properties of carbon nanotubes and might be useful in molecular sensing such as DNA-damage detection, nanopore DNA sequencing and other nanopore-based applications.