Freezing and melting of H(2)O and D(2)O in the cylindrical pores of well-characterized MCM-41 silica materials (pore diameters from 2.5 to 4.4 nm) was studied by differential scanning calorimetry (DSC) and (1)H NMR cryoporometry. Well-resolved DSC melting and freezing peaks were obtained for pore diameters down to 3.0 nm, but not in 2.5 nm pores. The pore size dependence of the melting point de...

Pore-forming toxins (PFT) are water-soluble proteins that possess the remarkable ability to self-assemble on the membrane of target cells, where they form pores causing cell damage. Here, we elucidate the mechanism of action of the haemolytic protein fragaceatoxin C (FraC), a α-barrel PFT, by determining the crystal structures of FraC at four different stages of the lytic mechanism, namely the ...

Profiles of dissolved organic carbon (DOC) were measured in the pore water of sediments from 1000, 2000 and 3500 m water depth in the eastern North Atlantic. A net DOC accumulation in the pore waters was observed, which followed closely the zonation of microbial respiration in these sediments. The concentration of pore water DOC in the zone of oxic respiration was elevated relative to that in t...

Several prokaryotic ClC proteins have been demonstrated to function as exchangers that transport both chloride ions and protons simultaneously in opposite directions. However, the path of the proton through the ClC exchanger, and how the protein brings about the coupled movement of both ions are still unknown. In this work, we use an atomistic molecular dynamics (MD) simulation to demonstrate t...

Raising safety levees and reinforcing dykes is not a sufficient and sustainable solution to the intense winter and summer floods occurring with increasing frequency in Eastern Europe. An alternative, creating permanently flooded floodplain wetlands, requires improved understanding of ecological consequences. A 9 month mesocosm study (starting in January), under natural light and temperature con...

Nuclear magnetic resonance (NMR) relaxometry tests, carried out on partially saturated porous media, convey information on the distribution of fluids within the pore space. Proper interpretation of this information requires a means to isolate the effects of pore structure (pore and throat shape and size distributions, spatial correlations, etc.) wettability and saturation history. A pore networ...

The permeability of reverse osmosis membranes is limited by the diffusive transport of water across a non-porous polyamide active layer. Alternatively, fabricating a microporous active layer capable of rejecting salt ions while allowing for water transport would increase the permeability while maintaining high salt rejection. Zeolites provide a model porous network which is capable of performin...

cementation factor is a critical parameter, which affects water saturation calculation. in carbonate rocks, due to the sensitivity of this parameter to pore type, water saturation estimation has associated with high inaccuracy. hence developing a reliable mathematical strategy to determine these properties accurately is of crucial importance. to this end, genetic algorithm pattern search is emp...

Molecular dynamics simulations of water in cylindrical hydrophilic pores with diameters of 1.5 and 3 nm were performed to explore the phase behavior and the nucleation dynamics of the confined fluid as a function of the percentage of volume filled f. The interactions of water with the pore wall were considered to be identical to the interactions between water molecules. At low water contents, a...

Non-point source pesticide pollution is a concern for wetlands in the prairie pothole region (PPR). Recent studies have demonstrated that reduced sulfur species (e.g., bisulfide and polysulfides) in PPR wetland pore waters directly undergo reactions with chloroacetanilide and dinitroaniline compounds. In this paper, the abiotic transformation of two organophosphate compounds, chlorpyrifos and c...