Insertion kinetics of small nucleotides through single walled carbon nanotube

We report molecular dynamic simulations showing that a DNA molecule constituted by five unique bases can be spontaneously inserted into single walled carbon nanotube (SWCNT) in normal conditions (P, T and water environment) depending on the tube radius value. The van der Waals and electrostatic interactions play a central role for the rapid insertion process. Our study shows also that the Guanine molecule inserts the fastest compared to thymine, adenine and cytosine bases, respectively. The differences of insertion time could be exploited for applications concerning for example DNA sequencing.

► We model the insertion of small nucleic acids inside carbon nanotube.
► Dynamic molecular simulations were used to characterize such insertion.
► The insertion times have been clearly measured and interpreted.
► The role of the van der Waals and electrostatic interactions is pointed out.