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Reactions involving multiple water molecules and adsorbed species are modeled, as well, and it is found that the presence of Hads and OHads provides a thermodynamic driving force for water dissociation while also increasing the activation barrier for the Tafel reaction.
It is understood to co-ordinate and bind multiple water molecules.
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By following this rational design concept of targeting multiple structural water molecules as binding partners for small organic molecules, we could enhance the binding affinity of our rationally designed phthalimide scaffold by a factor of 20.
Stretched exponential behaviour may arise from a distribution of mono-exponential decay processes, for example, multiple pools of water molecules, with different diffusion coefficients within each voxel [ 11].
The synergic effect of the bound water molecules, multiple free hydroxamic acid groups and dimetal active sites with bridging carboxylate may have significant impacts on their pharmacological activity.
As previously mentioned, in the crystal structure of CytNit each asymmetric unit comprises four molecules linked by multiple hydrogen bonds, and two water molecules.
Examination of the cosolute molecular structure shows that, among several differences in their interactions, polyols can form multiple hydrogen bonds with the surrounding water molecules as both acceptors and donors [49] while PEGs can only act as hydrogen bond acceptors, perhaps leading to the difference in their ability to act as "chemical chaperones" [50].
In multiple sclerosis (MS), diffusion analysis of water molecules using magnetic resonance imaging (MRI) is a well-known quantitative technique for revealing specific microstructural changes [ 1– 3].
When tissues have micro- or macro-structural damages, the water molecules are directed in multiple directions and the FA value decreases toward 0 [15].
However, at this resolution disordered regions were difficult to parameterize in terms of multiple conformations, which limited the scope of reliably assigning bound water molecules.
Diffusion measurements are obtained by applying multiple diffusion-sensitizing gradient MRI pulses to generate magnetization in water molecules.
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