Exploring the non-monotonic DNA capture behavior in a charged graphene nanopore

Nanopore-based biomolecule detection has emerged as a promising and sought-after innovation, offering high throughput, rapidity, label-free analysis, and cost-effectiveness, with potential applications in personalized medicine. However, achieving efficient and tunable biomolecule capture into the nanopore remains a significant challenge. In this study, we employ all-atom molecular dynamics simulations to investigate the capture of double-stranded DNA (dsDNA) molecules into graphene nanopores with varying positive charges. We discover a non-monotonic relationship between the DNA capture rate and the charge of the graphene nanopore. Specifically, the capture rate initially decreases and then increases with an increase in nanopore charge. This behavior is primarily attributed to differences in the electrophoretic force, rather than the influence of electroosmosis or counterions. Furthermore, we also observe this non-monotonic trend in various ionic solutions, but not in ionless solutions. Our findings shed light on the design of novel DNA sequencing devices, offering valuable insights into enhancing biomolecule capture rates in nanopore-based sensing platforms. By using all-atom molecular dynamics simulation, we observe that the relationship between the DNA capture rate and the amount of positive charge on the graphene nanopore is non-monotonic.

Automated summary

In this study, all-atom molecular dynamics simulations are used to investigate the capture of double-stranded DNA molecules into graphene nanopores with varying positive charges. It is found that there is a non-monotonic relationship between the DNA capture rate and the charge of the nanopore, shedding light on enhancing biomolecule capture rates in nanopore-based sensing platforms.