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  • X-ray lasersXFELsbiologystructuredynamics  (2)
  • high-pressure barium phasesincommensurately modulated structuresBa IVbatomic density waveshost–guest structures  (2)
  • International Union of Crystallography (IUCr)  (4)
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  • International Union of Crystallography (IUCr)  (4)
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  • 1
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    International Union of Crystallography (IUCr)
    In: IUCrJ
    Publication Date: 2017-02-24
    Keywords: high-pressure barium phasesincommensurately modulated structuresBa IVbatomic density waveshost–guest structures
    Electronic ISSN: 2052-2525
    Topics: Geosciences , Physics
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  • 2
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    International Union of Crystallography (IUCr)
    In: IUCrJ
    Publication Date: 2017-07-01
    Keywords: X-ray lasersXFELsbiologystructuredynamics
    Electronic ISSN: 2052-2525
    Topics: Geosciences , Physics
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  • 3
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    International Union of Crystallography (IUCr)
    In: IUCrJ
    Publication Date: 2017-05-11
    Description: The development and application of the free-electron X-ray laser (XFEL) to structure and dynamics in biology since its inception in 2009 are reviewed. The research opportunities which result from the ability to outrun most radiation-damage effects are outlined, and some grand challenges are suggested. By avoiding the need to cool samples to minimize damage, the XFEL has permitted atomic resolution imaging of molecular processes on the 100 fs timescale under near-physiological conditions and in the correct thermal bath in which molecular machines operate. Radiation damage, comparisons of XFEL and synchrotron work, single-particle diffraction, fast solution scattering, pump–probe studies on photosensitive proteins, mix-and-inject experiments, caged molecules, pH jump and other reaction-initiation methods, and the study of molecular machines are all discussed. Sample-delivery methods and data-analysis algorithms for the various modes, from serial femtosecond crystallography to fast solution scattering, fluctuation X-ray scattering, mixing jet experiments and single-particle diffraction, are also reviewed.
    Keywords: X-ray lasersXFELsbiologystructuredynamics
    Electronic ISSN: 2052-2525
    Topics: Geosciences , Physics
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  • 4
    Publication Date: 2017-01-21
    Description: The host–guest structures of elements at high pressure discovered a decade ago still leave many open questions due to the lack of precise models based on full exploitation of the diffraction data. This concerns in particular Ba IV, which is stable in the range 12–45 GPa. With the example of phase Ba IVb, which is characterized here for the first time, a systematic analysis is presented of possible host–guest structure models based on high-quality single-crystal diffraction data obtained with synchrotron radiation at six different pressures between 16.5 and 19.6 GPa. It is shown that a new incommensurately modulated (IM) structure model better fits the experimental data. Unlike the composite models which are commonly reported for the Ba IV phases, the IM model reveals a density wave and its pressure-dependent evolution. The crucial role played by the selected model in the interpretation of structure evolution under pressure is discussed. The findings give a new experimental basis for a better understanding of the nature of host–guest structures.
    Keywords: high-pressure barium phasesincommensurately modulated structuresBa IVbatomic density waveshost–guest structures
    Electronic ISSN: 2052-2525
    Topics: Geosciences , Physics
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