Simulation of electrokinetics at the nanoscale: Inversion of selectivity in a bio-nanochannel

Marcel Aguilella-Arzo, Carles Calero, Jordi Faraudo

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    18 Citations (Scopus)

    Abstract

    Here we show, by using full atomic molecular dynamics simulations, that electrostatic correlations typical of multivalent ions can reverse the selectivity of a biological nanochannel. We analyze the ionic transport and partition across the channel in the case of monovalent, divalent and a mixture of ions. Our results provide a physical mechanism for a new, experimentally observed phenomenon, namely the inversion of the selectivity of a bacterial porin (the E. Coli OmpF) in presence of multivalent cations. Also, the differences and similarities between this phenomenon and other nano and micro-scale electrokinetic effects are briefly discussed. © 2010 The Royal Society of Chemistry.
    Original languageEnglish
    Pages (from-to)6079-6082
    JournalSoft Matter
    Volume6
    Issue number24
    DOIs
    Publication statusPublished - 21 Dec 2010

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