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Author Ansalone, Patrizio ♦ Chinappi, Mauro ♦ Rondoni, Lamberto ♦ Cecconi, Fabio
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY ♦ ACCURACY ♦ APPROXIMATIONS ♦ CHARGED PARTICLES ♦ COMPARATIVE EVALUATIONS ♦ ELECTRIC POTENTIAL ♦ EQUATIONS ♦ LAPLACE TRANSFORMATION ♦ MATHEMATICAL SOLUTIONS ♦ PARTICLES ♦ SIMULATION
Abstract We analyze the translocation of a charged particle across an α-Hemolysin (αHL) pore in the framework of a driven diffusion over an extended energy barrier generated by the electrical charges of the αHL. A one-dimensional electrostatic potential is extracted from the full 3D solution of the Poisson’s equation. We characterize the particle transport under the action of a constant forcing by studying the statistics of the translocation time. We derive an analytical expression of translocation time average that compares well with the results from Brownian dynamic simulations of driven particles over the electrostatic potential. Moreover, we show that the translocation time distributions can be perfectly described by a simple theory which replaces the true barrier by an equivalent structureless square barrier. Remarkably, our approach maintains its accuracy also for low-applied voltage regimes where the usual inverse-Gaussian approximation fails. Finally, we discuss how the comparison between the simulated time distributions and their theoretical prediction results to be greatly simplified when using the notion of the empirical Laplace transform technique.
ISSN 00219606
Educational Use Research
Learning Resource Type Article
Publisher Date 2015-10-21
Publisher Place United States
Journal Journal of Chemical Physics
Volume Number 143
Issue Number 15


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