Influence of Water Hydrogen Bonding on the Reactions of Arylnitrenium Ions With Guanosine: Hydrogen-Bonding Effects Can Favor Reaction at the C8 Site

2009 ◽  
Vol 113 (18) ◽  
pp. 6528-6532 ◽  
Author(s):  
Zhen Guo ◽  
Jiadan Xue ◽  
Zhuofeng Ke ◽  
David Lee Phillips ◽  
Cunyuan Zhao
Keyword(s):  
Hydrogen Bonding ◽  
Influence Of Water ◽  
Arylnitrenium Ions ◽  
Water Hydrogen

Understanding the influence of water hydrogen bonding on the cathodic delamination rate of coated steel substrates from pre-exposure characterization

2019 ◽  
Vol 151 ◽  
pp. 198-205 ◽  
Author(s):  
Greg W. Curtzwiler ◽  
Eric B. Williams ◽  
Austin L. Maples ◽  
Steven W. Wand ◽  
James W. Rawlins
Keyword(s):  
Hydrogen Bonding ◽  
Coated Steel ◽  
Influence Of Water ◽  
Cathodic Delamination ◽  
Steel Substrates ◽  
Water Hydrogen

Influence of water hydrogen on the hydrogen stable isotope ratio of methane at low versus high temperatures of methanogenesis

2019 ◽  
Vol 128 ◽  
pp. 137-147 ◽  
Author(s):  
Lin Wei ◽  
Zhiye Gao ◽  
Maria Mastalerz ◽  
Arndt Schimmelmann ◽  
Ling Gao ◽  
...  
Keyword(s):  
Stable Isotope ◽  
High Temperatures ◽  
Isotope Ratio ◽  
Stable Isotope Ratio ◽  
Influence Of Water ◽  
Water Hydrogen

Ion effect on the dynamics of water hydrogen bonding network: A theoretical and computational spectroscopy point of view

2018 ◽  
Vol 8 (6) ◽  
pp. e1373 ◽  
Author(s):  
Qiang Zhang ◽  
Zhijun Pan ◽  
Lu Zhang ◽  
Ruiting Zhang ◽  
Zhening Chen ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Point Of View ◽  
Hydrogen Bonding Network ◽  
Computational Spectroscopy ◽  
Water Hydrogen

Role of Water Hydrogen Bonding on Transport of Small Molecules inside Hydrophobic Channels

2019 ◽  
Vol 123 (31) ◽  
pp. 6673-6685 ◽  
Author(s):  
Diego E. Escalante ◽  
Alptekin Aksan
Keyword(s):  
Hydrogen Bonding ◽  
Small Molecules ◽  
Water Hydrogen

scholarly journals Functional stability of water wire–carbonyl interactions in an ion channel

2020 ◽  
Vol 117 (22) ◽  
pp. 11908-11915 ◽  
Author(s):  
Joana Paulino ◽  
Myunggi Yi ◽  
Ivan Hung ◽  
Zhehong Gan ◽  
Xiaoling Wang ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Nmr Spectroscopy ◽  
Lipid Bilayers ◽  
Density Functional ◽  
Liquid Crystalline ◽  
Density Functional Theory Calculations ◽  
Bulk Water ◽  
Simple Explanation ◽  
Dynamics Simulations ◽  
Water Hydrogen

Water wires are critical for the functioning of many membrane proteins, as in channels that conduct water, protons, and other ions. Here, in liquid crystalline lipid bilayers under symmetric environmental conditions, the selective hydrogen bonding interactions between eight waters comprising a water wire and a subset of 26 carbonyl oxygens lining the antiparallel dimeric gramicidin A channel are characterized by17O NMR spectroscopy at 35.2 T (or 1,500 MHz for1H) and computational studies. While backbone15N spectra clearly indicate structural symmetry between the two subunits, single site17O labels of the pore-lining carbonyls report two resonances, implying a break in dimer symmetry caused by the selective interactions with the water wire. The17O shifts document selective water hydrogen bonding with carbonyl oxygens that are stable on the millisecond timescale. Such interactions are supported by density functional theory calculations on snapshots taken from molecular dynamics simulations. Water hydrogen bonding in the pore is restricted to just three simultaneous interactions, unlike bulk water environs. The stability of the water wire orientation and its electric dipole leads to opposite charge-dipole interactions for K+ions bound at the two ends of the pore, thereby providing a simple explanation for an ∼20-fold difference in K+affinity between two binding sites that are ∼24 Å apart. The17O NMR spectroscopy reported here represents a breakthrough in high field NMR technology that will have applications throughout molecular biophysics, because of the acute sensitivity of the17O nucleus to its chemical environment.

Carbonyl–water hydrogen bonding: The H2CO–H2O prototype

1994 ◽  
Vol 100 (6) ◽  
pp. 4347-4354 ◽  
Author(s):  
Theresa A. Ramelot ◽  
Ching‐Han Hu ◽  
Joseph E. Fowler ◽  
Bradley J. DeLeeuw ◽  
Henry F. Schaefer
Keyword(s):  
Hydrogen Bonding ◽  
Water Hydrogen

Water hydrogen-bonding effects on the ground and low-lying excited states of dipyridyl isomers

2021 ◽  
pp. 116767
Author(s):  
José L.F. Santos ◽  
Gabriel L.C. de Souza
Keyword(s):  
Hydrogen Bonding ◽  
Excited States ◽  
Water Hydrogen
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