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Structure and orientation of water molecules at model hydrophobic surfaces with curvature: From graphene sheets to carbon nanotubes and fullerenes
(Elsevier Science, 2011-09)
We study the structure and orientation of water molecules at model hydrophobic surfaces by means of molecular dynamics. We focus here on the role of geometry in water hydration by comparing the situation for a planar ...
Measurements of long-range attractive forces between hydrophobic surfaces and atomic force microscopy tips
(Elsevier Science BvAmsterdamHolanda, 2003)
Effect of cations and anions on the formation of polypseudorotaxanes
(Amer Chemical SocWashingtonEUA, 2002)
High-resolution coarse-grained model of hydrated anion-exchange membranes that accounts for hydrophobic and ionic interactions through short-ranged potentials
(American Chemical Society, 2016-11)
Molecular simulations provide a versatile tool to study the structure, anion conductivity, and stability of anion-exchange membrane (AEM) materials and can provide a fundamental understanding of the relation between structure ...
Measurement and correlation of excess molar enthalpy H-m(E) for (1,2-propanediol, or 1,3-propanediol, or 1,4-butanediol plus water) at the temperatures (298.15, 323.15, and 343.15) K
(Academic Press Ltd Elsevier Science LtdLondonInglaterra, 2006)
5-fluorouracil adsorption on hydrated silica: density functional theory based-study
(Springer, 2017-04)
Hydrated SiO2(111) has been projected as a competent support of an anticancer drug, 5-fluorouracil (5-FU). Theoretical calculations using the Vienna Ab-initio Simulation Package (VASP) were performed to study the drug-silica ...
Relation between solubility and surface hydrophobicity as an indicator of modifications during preparation processes of commercial and laboratory prepared soy protein isolates
(American Chemical Society, 2000-06)
Because water solubility is the main hydration property of proteins, solubility values of commercial and laboratory soy protein isolates, prepared under different conditions, were comparatively analyzed. In contrast, the ...