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@ARTICLE{Arcella:201331,
      author       = {Arcella, Annalisa and Dreyer, Jens and Ippoliti, Emiliano
                      and Ivani, Ivan and Portella, Guillem and Gabelica, Valérie
                      and Carloni, Paolo and Orozco, Modesto},
      title        = {{S}tructure and {D}ynamics of {O}ligonucleotides in the
                      {G}as {P}hase},
      journal      = {Angewandte Chemie / International edition},
      volume       = {54},
      number       = {2},
      issn         = {1433-7851},
      address      = {Weinheim},
      publisher    = {Wiley-VCH},
      reportid     = {FZJ-2015-03628},
      pages        = {467–471},
      year         = {2015},
      abstract     = {By combining ion-mobility mass spectrometry experiments
                      with sub-millisecond classical and ab initio molecular
                      dynamics we fully characterized, for the first time, the
                      dynamic ensemble of a model nucleic acid in the gas phase
                      under electrospray ionization conditions. The studied
                      oligonucleotide unfolds upon vaporization, loses memory of
                      the solution structure, and explores true gas-phase
                      conformational space. Contrary to our original expectations,
                      the oligonucleotide shows very rich dynamics in three
                      different timescales (multi-picosecond, nanosecond, and
                      sub-millisecond). The shorter timescale dynamics has a
                      quantum mechanical nature and leads to changes in the
                      covalent structure, whereas theother two are of classical
                      origin. Overall, this study suggests that a re-evaluation on
                      our view of the physics of nucleic acids upon vaporization
                      is needed.},
      cin          = {INM-9 / IAS-5 / GRS},
      ddc          = {540},
      cid          = {I:(DE-Juel1)INM-9-20140121 / I:(DE-Juel1)IAS-5-20120330 /
                      I:(DE-Juel1)GRS-20100316},
      pnm          = {574 - Theory, modelling and simulation (POF3-574)},
      pid          = {G:(DE-HGF)POF3-574},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000347238800011},
      pubmed       = {pmid:25417598},
      doi          = {10.1002/anie.201406910},
      url          = {https://juser.fz-juelich.de/record/201331},
}