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@ARTICLE{DeSantis:617350,
      author       = {De Santis, Emiliano and Dawod, Ibrahim and André, Tomas
                      and Cardoch, Sebastian and Timneanu, Nicusor and Caleman,
                      Carl},
      title        = {{U}ltrafast {X}-ray laser-induced explosion: {H}ow the
                      depth influences the direction of the ion trajectory},
      journal      = {epl},
      volume       = {148},
      number       = {1},
      issn         = {0295-5075},
      address      = {Les Ulis},
      publisher    = {EDP Sciences},
      reportid     = {PUBDB-2024-06716},
      pages        = {17001},
      year         = {2024},
      abstract     = {Single particle imaging using X-ray lasers is a technique
                      aiming to capture atomicresolution structures of
                      biomolecules in their native state. Knowing the particle’s
                      orientationduring exposure is crucial for method
                      enhancement. It has been shown that the trajectories
                      ofsulfur atoms in a Coulomb exploding lysozyme are
                      reproducible, providing orientation information.This study
                      explores if sulfur atom depth influences explosion
                      trajectory. Employing a
                      hybridcollisional-radiative/molecular dynamics model, we
                      analyze the X-ray laser-induced dynamics ofa single sulfur
                      ion at varying depths in water. Our findings indicate that
                      the ion spread-depthrelationship depends on pulse
                      parameters. At a photon energy of 2 keV, high-charge states
                      areobtained, resulting in an increase of the spread with
                      depth. However, at 8 keV photon energy,where lower charge
                      states are obtained, the spread is essentially independent
                      with depth. Finally,lower ion mass results in less
                      reproducible trajectories, opening a promising route for
                      determiningprotein orientation through the introduction of
                      heavy atoms.},
      cin          = {FS-CFEL-1},
      ddc          = {530},
      cid          = {I:(DE-H253)FS-CFEL-1-20120731},
      pnm          = {633 - Life Sciences – Building Blocks of Life: Structure
                      and Function (POF4-633) / SPIDoc's - The Next Generation MS
                      SPIDoc’s (101120312) / MS SPIDOC - Mass Spectrometry for
                      Single Particle Imaging of Dipole Oriented protein Complexes
                      (801406)},
      pid          = {G:(DE-HGF)POF4-633 / G:(EU-Grant)101120312 /
                      G:(EU-Grant)801406},
      experiment   = {EXP:(DE-MLZ)NOSPEC-20140101},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:001332895500001},
      doi          = {10.1209/0295-5075/ad7883},
      url          = {https://bib-pubdb1.desy.de/record/617350},
}