Numerical simulations can provide us with invaluable insight into the microscopic behavior of molecules as they translocate through artificial nanopores. With this in mind, we have developed a computational tool-box that allows us to examine how polymer dynamics will be affected by the electrostatic fields of semiconductor membranes submerged in electrolytic solution.
We consider single-stranded DNA translocation through a semiconductor membrane consisting of doped p- and n-layers of Si forming a pn-junction. Using Brownian dynamics simulations of the biomolecule in the self-consistent membrane-electrolyte potential, we show that the polymer translocation through the membrane is slowed down, while polymer length is greatly extended.
The biomolecule elongation is particularly dramatic on the n-side of the membrane where the lateral membrane electric field restricts (focuses) the biomolecule motion more than on the p-side. The latter effect makes our membrane a solid state analog of the alpha-hemolysin biochannel.
The results indicate that the tunable electric field inside the membrane can effectively control the dynamics of a DNA in the channel to either momentarily trap, slow down or allow the biomolecule to translocate at will, while stretching it.