WebAug 1, 2014 · The notion of (static) solvation shells has recently proved fruitful in revealing key molecular factors that dictate the solubility and aggregation properties of fullerene species in polar or ionic solvent media. Using molecular dynamics schemes with carefully evaluated force fields, we have scrutinized both the static and the dynamic features of the … WebSolvation is critical for protein structural dynamics. Spectroscopic studies have indicated relationships between protein and solvent dynamics, and rates of gas binding to heme proteins in aqueous solution were previously observed to depend inversely on solution viscosity. In this work, the solvent-compatible enzyme Candida antarctica lipase B, which …
Ion distributions around left- and right-handed DNA and RNA …
WebJun 25, 2024 · Water around biomolecules is special for behaving strangely – both in terms of structure and dynamics, while ions are found to control various interactions in … WebThe term solvation shell only describes a region of solvent around the ion. Simply being part of the shell does not imply anything about the interactions between the ion and the water … name dtype is not defined. did you mean: type
Convergence behaviour of solvation shells in simulated liquids
A solvation shell or solvation sheath is the solvent interface of any chemical compound or biomolecule that constitutes the solute. When the solvent is water it is called a hydration shell or hydration sphere. The number of solvent molecules surrounding each unit of solute is called the hydration number of … See more The solvation shell number of a dissolved electrolyte can be linked to the statistical component of the activity coefficient of the electrolyte and to the ratio between the apparent molar volume of a dissolved electrolyte in a … See more The hydration shell (also sometimes called hydration layer) that forms around proteins is of particular importance in biochemistry. This interaction of the protein surface with … See more • Activity coefficient • Metal ions in aqueous solution • Ion transport number • Ionic radius See more Webture and dynamics of the ionic solvation shell. These results are rationalised in terms of the mechanism of water exchange around cations and the strength of ion–water interaction. The distribution of hydrogen bonds and the reorientation dynamics of water molecules, in the bulk solution and the first solvation shell, are finally presented. WebJan 25, 2007 · We present dynamical characteristics of the solvent in various solvation shells of a C 60 molecule as well as intersolute region between two fullerene molecules. … named transactions sql server