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@ARTICLE{Fichou:279712,
      author       = {Fichou, Yann and Schirò, Giorgio and Gallat,
                      François-Xavier and Laguri, Cedric and Moulin, Martine and
                      Combet, Jérôme and Zamponi, Michaela and Härtlein,
                      Michael and Picart, Catherine and Mossou, Estelle and
                      Lortat-Jacob, Hugues and Colletier, Jacques-Philippe and
                      Tobias, Douglas J. and Weik, Martin},
      title        = {{H}ydration water mobility is enhanced around tau amyloid
                      fibers},
      journal      = {Proceedings of the National Academy of Sciences of the
                      United States of America},
      volume       = {112},
      number       = {20},
      issn         = {1091-6490},
      address      = {Washington, DC},
      publisher    = {National Acad. of Sciences},
      reportid     = {FZJ-2015-07594},
      pages        = {6365 - 6370},
      year         = {2015},
      abstract     = {The paired helical filaments (PHF) formed by the
                      intrinsically disordered human protein tau are one of the
                      pathological hallmarks of Alzheimer disease. PHF are fibers
                      of amyloid nature that are composed of a rigid core and an
                      unstructured fuzzy coat. The mechanisms of fiber formation,
                      in particular the role that hydration water might play,
                      remain poorly understood. We combined protein deuteration,
                      neutron scattering, and all-atom molecular dynamics
                      simulations to study the dynamics of hydration water at the
                      surface of fibers formed by the full-length human protein
                      htau40. In comparison with monomeric tau, hydration water on
                      the surface of tau fibers is more mobile, as evidenced by an
                      increased fraction of translationally diffusing water
                      molecules, a higher diffusion coefficient, and increased
                      mean-squared displacements in neutron scattering
                      experiments. Fibers formed by the hexapeptide 306VQIVYK311
                      were taken as a model for the tau fiber core and studied by
                      molecular dynamics simulations, revealing that hydration
                      water dynamics around the core domain is significantly
                      reduced after fiber formation. Thus, an increase in water
                      dynamics around the fuzzy coat is proposed to be at the
                      origin of the experimentally observed increase in hydration
                      water dynamics around the entire tau fiber. The observed
                      increase in hydration water dynamics is suggested to promote
                      fiber formation through entropic effects. Detection of the
                      enhanced hydration water mobility around tau fibers is
                      conjectured to potentially contribute to the early diagnosis
                      of Alzheimer patients by diffusion MRI.},
      cin          = {JCNS (München) ; Jülich Centre for Neutron Science JCNS
                      (München) ; JCNS-FRM-II / Neutronenstreuung ; JCNS-1},
      ddc          = {000},
      cid          = {I:(DE-Juel1)JCNS-FRM-II-20110218 /
                      I:(DE-Juel1)JCNS-1-20110106},
      pnm          = {6G15 - FRM II / MLZ (POF3-6G15) / 6G4 - Jülich Centre for
                      Neutron Research (JCNS) (POF3-623)},
      pid          = {G:(DE-HGF)POF3-6G15 / G:(DE-HGF)POF3-6G4},
      experiment   = {EXP:(DE-MLZ)SPHERES-20140101},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000354729500052},
      pubmed       = {pmid:25918405},
      doi          = {10.1073/pnas.1422824112},
      url          = {https://juser.fz-juelich.de/record/279712},
}