<b>Membrane-embedded nanopores are being engineered for a variety of characterization techniques. When the targeted molecules are captured from bulk solution using applied voltage, the distance from the nanopore, as well as the migration time needed for capture, creates plausibility limits for sensor design. In this study, we evaluate the interplay among electrophoretic, electroosmotic and thermal driving forces that are exerted on charged molecules as they move through bulk solution and are drawn into the alpha-hemolysin nanopore. The simulations involve creating a map of the electric field profile both inside and outside the nanopore using continuum models and finite element mapping computations. After generating a map that corresponds to a specific applied potential, it is combined with a 3D Brownian dynamics algorithm which tracks the spatial trajectories of nearby molecules over long time scales. Our simulations evaluate the relationship between distance and time to capture, as well as the dependence of capture probability on applied potential. The findings also delineate the relative magnitude of the electrophoretic, electroosmotic, and diffusive forces near the entry of the nanopore.</b><br/>

Simulating the capture dynamics of molecules within proximity to the alpha-hemolysin nanopore

249th National Meeting (2015)

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