We conducted over 150 ns of simulation of a protegrin-1 octamer pore in a lipid bilayer composed of palmitoyloleoyl-phosphatidylethanolamine (POPE) and palmitoyloleoyl-phosphatidylglycerol (POPG) lipids mimicking the inner membrane of a bacterial cell. The simulations improve on a model of a pore proposed from recent NMR experiments and provide a coherent understanding of the molecular mechanis...

The Essen site has been chosen as an alternative site for nuclear waste disposal in Belgium. The soil formation involved at this site is the same as at Mol site: Boom clay. However, owing to its geographical situation closer to the sea, Boom clay at Essen presents a pore water salinity 4-5 times higher than Boom clay at Mol. This study aims at studying the effects of pore water salinity on the ...

background: survey of pollution and evaluation of water quality in rivers with oregon water quality index (owqi) and gis are effective tools for management of the impact of environmental water resources. the information in calculating the wqi of moradbeik river allowed us to take our tests results and make a scientific conclusion about the quality of water. gis can be a powerful tool for develo...

Contaminant hydrology is the study of processes that affect both ground and surface water pollution. It draws on the principles of hydrology and chemistry. Contaminant hydrology and water quality research seeks to understand the role of soil properties and hydrologic processes on ground and surface water pollution and develop strategies to mitigate their impacts. Research is done at all scales ...

Generally seepage analysis and stress–strain analysis are conducted separately in the analysis of dams with varied water levels, which neglects the impact of soil deformation on seepage. The impact, however, is significant when the water level varies greatly. In this study, a simplified approach for consolidation analysis of unsaturated soil is used to conduct numerical simulations of water-fil...

Although there is no assumption of pore geometry in derivation of Gassmann’s equation, the pore geometry is in close relation with hygroscopic water content and pore fluid communication between the micropores and the macropores. The hygroscopic water content in common reservoir rocks is small, and its effect on elastic properties is ignored in the Gassmann theory. However, the volume of hygrosc...

Coastal shallow lagoons are considered to be highly important systems, which have specific biogeochemical cycles and characteristics. The assessment of sediment-water interfaces is essential to understand nutrient dynamics and to evaluate the vulnerability to eutrophication, especially in regions of restricted water exchange (RRE), such as the Ria Formosa, which have natural conditions for the ...

Molecular dynamics simulations were used to study the possible catalytic role of an unusual conserved water-filled pore structure in the family 48 cellulase enzyme Cel48A from Thermobifida fusca. It was hypothesized that this pore serves as the pathway for the water molecules consumed in the hydrolysis catalyzed by the enzyme to reach the active site in a continuous stream to participate in the...