@article{MitznerRehanekKernetal.2013,
  author    = {Mitzner, Rolf and Rehanek, Jens and Kern, Jan and Gul, Sheraz and Hattne, Johan and Taguchi, Taketo and Alonso-Mori, Roberto and Tran, Rosalie and Weniger, Christian and Schr{\"o}der, Henning and Quevedo, Wilson and Laksmono, Hartawan and Sierra, Raymond G. and Han, Guangye and Lassalle-Kaiser, Benedikt and Koroidov, Sergey and Kubicek, Katharina and Schreck, Simon and Kunnus, Kristjan and Brzhezinskaya, Maria and Firsov, Alexander and Minitti, Michael P. and Turner, Joshua J. and M{\"o}ller, Stefan and Sauter, Nicholas K. and Bogan, Michael J. and Nordlund, Dennis and Schlotter, William F. and Messinger, Johannes and Borovik, Andrew S. and Techert, Simone and de Groot, Frank M. F. and F{\"o}hlisch, Alexander and Erko, Alexei and Bergmann, Uwe and Yachandra, Vittal K. and Wernet, Philippe and Yano, Junko},
  title     = {L-edge x-ray absorption spectroscopy of dilute systems relevant to metalloproteins using an X-ray free-electron laser},
  series = {The journal of physical chemistry letters},
  volume    = {4},
  journal   = {The journal of physical chemistry letters},
  number    = {21},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {1948-7185},
  doi       = {10.1021/jz401837f},
  pages     = {3641 -- 3647},
  year      = {2013},
  abstract  = {L-edge spectroscopy of 3d transition metals provides important electronic structure information and has been used in many fields. However, the use of this method for studying dilute aqueous systems, such as metalloenzymes, has not been prevalent because of severe radiation damage and the lack of suitable detection systems. Here we present spectra from a dilute Mn aqueous solution using a high-transmission zone-plate spectrometer at the Linac Coherent Light Source (LCLS). The spectrometer has been optimized for discriminating the Mn L-edge signal from the overwhelming 0 K-edge background that arises from water and protein itself, and the ultrashort LCLS X-ray pulses can outrun X-ray induced damage. We show that the deviations of the partial-fluorescence yield-detected spectra from the true absorption can be well modeled using the state-dependence of the fluorescence yield, and discuss implications for the application of our concept to biological samples.},
  language  = {en}
}
@article{SchreckBeyeSellbergetal.2014,
  author    = {Schreck, Simon and Beye, Martin and Sellberg, Jonas A. and McQueen, Trevor and Laksmono, Hartawan and Kennedy, Brian and Eckert, Sebastian and Schlesinger, Daniel and Nordlund, Dennis and Ogasawara, Hirohito and Sierra, Raymond G. and Segtnan, Vegard H. and Kubicek, Katharina and Schlotter, William F. and Dakovski, Georgi L. and Moeller, Stefan P. and Bergmann, Uwe and Techert, Simone and Pettersson, Lars G. M. and Wernet, Philippe and Bogan, Michael J. and Harada, Yoshihisa and Nilsson, Anders and F{\"o}hlisch, Alexander},
  title     = {Reabsorption of soft x-ray emission at high x-ray free-electron laserfluences},
  series = {Physical review letters},
  volume    = {113},
  journal   = {Physical review letters},
  number    = {15},
  publisher = {American Physical Society},
  address   = {College Park},
  issn      = {0031-9007},
  doi       = {10.1103/PhysRevLett.113.153002},
  pages     = {6},
  year      = {2014},
  abstract  = {We report on oxygen K-edge soft x-ray emission spectroscopy from a liquid water jet at the Linac Coherent Light Source. We observe significant changes in the spectral content when tuning over a wide range of incident x-ray fluences. In addition the total emission yield decreases at high fluences. These modifications result from reabsorption of x-ray emission by valence-excited molecules generated by the Auger cascade. Our observations have major implications for future x-ray emission studies at intense x-ray sources. We highlight the importance of the x-ray pulse length with respect to the core-hole lifetime.},
  language  = {en}
}
@article{SellbergMcQueenLaksmonoetal.2015,
  author    = {Sellberg, Jonas A. and McQueen, Trevor A. and Laksmono, Hartawan and Schreck, Simon and Beye, Martin and DePonte, Daniel P. and Kennedy, Brian and Nordlund, Dennis and Sierra, Raymond G. and Schlesinger, Daniel and Tokushima, Takashi and Zhovtobriukh, Iurii and Eckert, Sebastian and Segtnan, Vegard H. and Ogasawara, Hirohito and Kubicek, Katharina and Techert, Simone and Bergmann, Uwe and Dakovski, Georgi L. and Schlotter, William F. and Harada, Yoshihisa and Bogan, Michael J. and Wernet, Philippe and F{\"o}hlisch, Alexander and Pettersson, Lars G. M. and Nilsson, Anders},
  title     = {X-ray emission spectroscopy of bulk liquid water in "no-man's land"},
  series = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr},
  volume    = {142},
  journal   = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr},
  number    = {4},
  publisher = {American Institute of Physics},
  address   = {Melville},
  issn      = {0021-9606},
  doi       = {10.1063/1.4905603},
  pages     = {9},
  year      = {2015},
  abstract  = {The structure of bulk liquid water was recently probed by x-ray scattering below the temperature limit of homogeneous nucleation (T-H) of similar to 232 K [J. A. Sellberg et al., Nature 510, 381-384 (2014)]. Here, we utilize a similar approach to study the structure of bulk liquid water below T-H using oxygen K-edge x-ray emission spectroscopy (XES). Based on previous XES experiments [T. Tokushima et al., Chem. Phys. Lett. 460, 387-400 (2008)] at higher temperatures, we expected the ratio of the 1b(1)' and 1b(1)" peaks associated with the lone-pair orbital in water to change strongly upon deep supercooling as the coordination of the hydrogen (H-) bonds becomes tetrahedral. In contrast, we observed only minor changes in the lone-pair spectral region, challenging an interpretation in terms of two interconverting species. A number of alternative hypotheses to explain the results are put forward and discussed. Although the spectra can be explained by various contributions from these hypotheses, we here emphasize the interpretation that the line shape of each component changes dramatically when approaching lower temperatures, where, in particular, the peak assigned to the proposed disordered component would become more symmetrical as vibrational interference becomes more important. (C) 2015 AIP Publishing LLC.},
  language  = {en}
}