(759d) Chemically Modified Nanopores in an n-Doped Silicon Membrane: A Brownian Dynamics Study

Solid-state nanopores have recently become an important area of study for the investigation of single biomolecule dynamics. Of particular interest is the use of nanopores in the detection and analysis of proteins and DNA. Several studies have considered nanopores of various sizes and compositions in their efficiency at the characterization of DNA and polymers. A novel approach to altering the functionality of a nanopore is to tether biomolecules (primarily DNA and polymers) to its inner surface in order to change the interaction of the pore with a passing species. We consider a single nanopore in an n-doped semiconductor membrane with polymer or DNA functionalization of its surface. This system is modeled using Brownian dynamics simulations with a Poisson modification to account for surrounding electrolyte solution. We systematically vary key parameters of the system, such as grafting density, graft size, graft composition, and applied voltage across the pore to detail and characterize the behavior of the functionalized nanopore. This study lays the groundwork for simulating tethered nanopores in more complex systems, such as those with a translocating biomolecule. Ultimately, results of this characterization will (1) determine if the functionalized nanopore system will be a useful tool in the investigation of single biomolecule dynamics, and (2) will define how key parameters should be altered to “tune” a nanopore to have a desired selectivity.