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We report on the microscopic structure of water at sub- and supercritical conditions studied using X-ray Raman spectroscopy, ab initio molecular dynamics simulations, and density functional theory. Systematic changes in the X-ray Raman spectra with increasing pressure and temperature are observed. Throughout the studied thermodynamic range, the experimental spectra can be interpreted with a structural model obtained from the molecular dynamics simulations. A spatial statistical analysis using Ripley's K-function shows that this model is homogeneous on the nanometer length scale. According to the simulations, distortions of the hydrogen-bond network increase dramatically when temperature and pressure increase to the supercritical regime. In particular, the average number of hydrogen bonds per molecule decreases to ???0.6 at 600 ??C and p = 134 MPa.

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What makes thermophilic proteins stable? And in particular, does hydration play a role? Those questions are examined by Fabio Sterpone of the Universit Paris Diderot and colleagues (O. Rahaman et al., Phys. Chem. Chem. Phys. 15, 3570; 2013 paper here). They...
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