A probabilistic approach to the effect of water hydrogen bonds on the kinetics of protein folding and protein denaturation

2010 ◽  
Vol 154 (1-2) ◽  
pp. 77-90 ◽  
Author(s):  
Y.S. Djikaev ◽  
E. Ruckenstein
Keyword(s):  
Protein Folding ◽  
Hydrogen Bonds ◽  
Protein Denaturation ◽  
Probabilistic Approach ◽  
Effect Of Water ◽  
Kinetics Of ◽  
Water Hydrogen

scholarly journals The inhibition effect of water on the purification of natural gas with nanoporous graphene membranes

2018 ◽  
Vol 9 ◽  
pp. 1906-1916 ◽  
Author(s):  
Krzysztof Nieszporek ◽  
Tomasz Pańczyk ◽  
Jolanta Nieszporek
Keyword(s):  
Natural Gas ◽  
Hydrogen Bonds ◽  
Membrane Separation ◽  
Extreme Case ◽  
Gas Permeation ◽  
Effect Of Water ◽  
Nanoporous Graphene ◽  
Analysis Of Stability ◽  
Dynamics Simulations ◽  
Kinetics Of

Molecular dynamics simulations are used to investigate the inhibiting effect of water on the natural gas separation with nanoporous graphene. The membrane separation process involves CH4 + N2 mixtures with and without the addition of water. The results show that water is able to form hydrogen bonds with nitrogen atoms located in a nanopore rim. This effect causes a decrease of separation selectivity as well as a reduction of gas permeation. In the extreme case, when the nanopore rim contains only nitrogen atoms, water agglomerates at the center of the nanopore and effectively closes down the permeation path. The conclusions are confirmed by the analysis of stability and kinetics of hydrogen bonds.

Ab initio QM/MM dynamics of anion–water hydrogen bonds in aqueous solution

2005 ◽  
Vol 403 (4-6) ◽  
pp. 314-319 ◽  
Author(s):  
Anan Tongraar ◽  
Bernd Michael Rode
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Ab Initio ◽  
Water Hydrogen
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