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Dynamics of hydration water at the surface of a lysozyme molecule is studied by computer simulations at various hydration levels in relation with water clustering and percolation transition. Increase of the translational mobility of water molecules at the surface of a rigid lysozyme molecule upon hydration is governed by the water-water interactions. Lysozyme dynamics strongly affect translational motions of water and this dynamic coupling is maximal at hydration levels, corresponding to the formation of a spanning water network. Anomalous diffusion of hydration water does not depend on hydration level up to monolayer coverage and reflects spatial disorder. Rotational dynamics of water molecules show stretched exponential decay at low hydrations. With increasing hydration, we observe appearance of weakly bound water molecules with bulklike rotational dynamics, whose fraction achieves 20-25% at the percolation threshold.


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Knowledge of groundwater dynamics is important for the understanding of hydrological controls on chemical processes along the water flow pathways. To increase our knowledge of groundwater dynamics in areas with shallow groundwater, the groundwater dynamics along a hillslope were studied in a boreal catchment in Southern Sweden. The forested hillslope had a 1- to 2-m deep layer of sandy till above bedrock. The groundwater flow direction and slope were calculated under the assumption that the flow followed the slope of the groundwater table, which was computed for different triangles, each defined by three groundwater wells. The flow direction showed considerable variations over time, with a maximum variation of 75 degrees. During periods of high groundwater levels the flow was almost perpendicular to the stream, but as the groundwater level fell, the flow direction became gradually more parallel to the stream, directed in the downstream direction. These findings are of importance for the interpretation of results from hillslope transects, where the flow direction usually is assumed to be invariable and always in the direction of the hillslope. The variations in the groundwater flow direction may also cause an apparent dispersion for groundwater-based transport. In contrast to findings in several other studies, the groundwater level was most responsive to rainfall and snowmelt in the upper part of the hillslope, while the lower parts of the slope reached their highest groundwater level up to 40 h after the upper parts. This can be explained by the topography with a wetter hollow area in the upper part. ff782bc1db

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