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Issue 24, 2010
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Simulation of electrokinetics at the nanoscale: inversion of selectivity in a bio-nanochannel

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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.

Graphical abstract: Simulation of electrokinetics at the nanoscale: inversion of selectivity in a bio-nanochannel

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Publication details

The article was received on 01 Sep 2010, accepted on 07 Oct 2010 and first published on 25 Oct 2010


Article type: Communication
DOI: 10.1039/C0SM00904K
Citation: Soft Matter, 2010,6, 6079-6082
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    Simulation of electrokinetics at the nanoscale: inversion of selectivity in a bio-nanochannel

    M. Aguilella-Arzo, C. Calero and J. Faraudo, Soft Matter, 2010, 6, 6079
    DOI: 10.1039/C0SM00904K

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