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@ARTICLE{Zhang:201297,
      author       = {Zhang, C. and Knyazev, D. G. and Vereshaga, Y. A. and
                      Ippoliti, E. and Nguyen, T. H. and Carloni, P. and Pohl, P.},
      title        = {{W}ater at hydrophobic interfaces delays proton
                      surface-to-bulk transfer and provides a pathway for lateral
                      proton diffusion},
      journal      = {Proceedings of the National Academy of Sciences of the
                      United States of America},
      volume       = {109},
      number       = {25},
      issn         = {1091-6490},
      address      = {Washington, DC},
      publisher    = {National Acad. of Sciences},
      reportid     = {FZJ-2015-03602},
      pages        = {9744 - 9749},
      year         = {2012},
      abstract     = {Fast lateral proton migration along membranes is of vital
                      importance for cellular energy homeostasis and various
                      proton-coupled transport processes. It can only occur if
                      attractive forces keep the proton at the interface. How to
                      reconcile this high affinity to the membrane surface with
                      high proton mobility is unclear. Here, we tested whether a
                      minimalistic model interface between an apolar hydrophobic
                      phase (n-decane) and an aqueous phase mimics the biological
                      pathway for lateral proton migration. The observed diffusion
                      span, on the order of tens of micrometers, and the high
                      proton mobility were both similar to the values previously
                      reported for lipid bilayers. Extensive ab initio simulations
                      on the same water∕n-decane interface reproduced the
                      experimentally derived free energy barrier for the excess
                      proton. The free energy profile adopts the shape of a well
                      at the interface, having a width oftwo water molecules and a
                      depth of 6 +/- 2RT. The hydroniums in direct contact with
                      n-decane have a reduced mobility. However, the hydroniums in
                      the second layer of water molecules are mobile. Their in
                      silico diffusion coefficient matches that derived from our
                      in vitro experiments, 5.7 +/- 0.7 × $10^−5$ $cm^2$
                      $s^−1.$ Conceivably, these are the protons that allow for
                      fast diffusion along biological membranes.},
      cin          = {GRS / IAS-5},
      ddc          = {000},
      cid          = {I:(DE-Juel1)GRS-20100316 / I:(DE-Juel1)IAS-5-20120330},
      pnm          = {899 - ohne Topic (POF2-899)},
      pid          = {G:(DE-HGF)POF2-899},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000306061400025},
      pubmed       = {pmid:22675120},
      doi          = {10.1073/pnas.1121227109},
      url          = {https://juser.fz-juelich.de/record/201297},
}