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@INPROCEEDINGS{MunozSantiburcio:283768,
      author       = {Munoz-Santiburcio, D. and Marx, D.},
      title        = {{P}rebiotic {C}hemistry in {N}anoconfinement},
      volume       = {48},
      address      = {Jülich},
      publisher    = {Forschungszentrum Jülich GmbH, Zentralbibliothek},
      reportid     = {FZJ-2016-02055},
      series       = {NIC Series},
      pages        = {125-132},
      year         = {2016},
      comment      = {NIC Symposium 2016},
      booktitle     = {NIC Symposium 2016},
      abstract     = {Water presents extremely different properties depending not
                      only on conditions like temperature and pressure but also on
                      the local environment (bulk vs. interfacial water), which in
                      turn profoundly affects chemical reactions in solution.
                      Here, we present the results of extensive ab initio
                      molecular dynamics and metadynamics simulations in which we
                      study some properties of nanoconfined water in mackinawite
                      and a whole pathway for prebiotic peptide synthesis via
                      glycine and COS condensation. It is shown that the special
                      chemistry observed in this system is the result of the
                      interplay between the steric and entropic effects intrinsic
                      to nanoconfinement and the different dielectric properties
                      of nanoconfined water compared to the bulk. The results show
                      that prebiotic peptide bond formation is enhanced in
                      nanoconfined water, while peptide hydrolysis is hindered,
                      thus making this environment highly suitable for prebiotic
                      polypeptide synthesis.},
      month         = {Feb},
      date          = {2016-02-11},
      organization  = {NIC Symposium 2016, Jülich (Germany),
                       11 Feb 2016 - 12 Feb 2016},
      cin          = {NIC},
      cid          = {I:(DE-Juel1)NIC-20090406},
      pnm          = {899 - ohne Topic (POF3-899)},
      pid          = {G:(DE-HGF)POF3-899},
      typ          = {PUB:(DE-HGF)8},
      url          = {https://juser.fz-juelich.de/record/283768},
}