scholarly journals Interactions between halide anions and interfacial water molecules in relation to the Jones–Ray effect

2014 ◽  
Vol 16 (45) ◽  
pp. 24661-24665 ◽  
Author(s):  
Khoi Tan Nguyen ◽  
Anh V. Nguyen ◽  
Geoffrey M. Evans
Keyword(s):  
Dipole Moment ◽  
Water Molecules ◽  
Interfacial Water ◽  
Halide Anions

The Jones–Ray effect is not caused by enhanced salt adsorption, but by the weakened average dipole moment of interfacial water molecules interacting with halide anions.

Interfacial water molecules in SH3 interactions: a revised paradigm for polyproline recognition

2012 ◽  
Vol 443 (1) ◽  
pp. 328-328
Author(s):  
J.M. Martin-Garcia ◽  
J. Ruiz-Sanz ◽  
I. Luque
Keyword(s):  
Water Molecules ◽  
Interfacial Water

scholarly journals The structure of surface films. Part XVI.—Surface potential measurements on fatty acids on dilute hydrochloric acid

1932 ◽  
Vol 138 (835) ◽  
pp. 411-430 ◽  
Keyword(s):  
Fatty Acids ◽  
Dipole Moment ◽  
Dilute Hydrochloric Acid ◽  
Vertical Component ◽  
Water Molecules ◽  
Surface Films ◽  
Pressure Measurements ◽  
Contact Potential ◽  
Surface Potential Measurements ◽  
Air Liquid Interface

Guyot, Frumkin, and Schulman and Rideal have shown that it is possible, by means of an air electrode covered with a small amount of a radioactive deposit, which ionises the air in its neighbourhood, to measure changes in the contact potential at an air-liquid interface caused by spreading a film over the surface. It is now clear that this change in contact potential is caused by the dipoles of the film molecules, the magnitude of the change in potential depending on the vertical component of the dipole moment of the molecules in the film, and on the extent to which the water molecules and the ions in the solution are re-arranged near the surface under the influence of these dipoles. In combination with surface pressure measurements, which have already given a great deal of information as to the orientation of the molecules in the surface, and their shapes, sizes, and adhesive fields of force, this method, which indicates the orientation of the dipoles of the film molecules to the surface, is a valuable addition to our methods of investigating the structure of surface films.

Dipole moment of water molecules in narrow pores

2005 ◽  
Vol 169 (1-3) ◽  
pp. 36-39 ◽  
Author(s):  
Christoph Dellago ◽  
Mor M. Naor
Keyword(s):  
Dipole Moment ◽  
Water Molecules

The infra-red spectra of talc, saponite, and hectorite

1958 ◽  
Vol 31 (241) ◽  
pp. 829-845 ◽  
Author(s):  
V. C. Farmer
Keyword(s):  
Hydrogen Bond ◽  
Dipole Moment ◽  
Absorption Spectra ◽  
Water Molecules ◽  
Weak Hydrogen Bond ◽  
Interlayer Water ◽  
Spectral Changes ◽  
Infra Red ◽  
Theoretical Predictions ◽  
Stretching Vibrations

SummaryThe absorption spectra of talc, saponite, and hectorite between 4000 and 400 cm. −1 are closely related, although the bands of the smectites are more diffuse as a result of isomorphous substitutions in the tale structure. Using oriented specimens, vibrations in which the change of dipole moment is perpendicular to the sheets of the minerals are identified, and the results compared with theoretical predictions. Three bands arising from the stretching vibrations of interlayer water molecules in the smectites are distinguished, one of which corresponds to a very weak hydrogen bond. Spectral changes arising from vigorous grinding are discussed.

scholarly journals Interfacial water molecules at biological membranes: Structural features and role for lateral proton diffusion

PLoS ONE ◽  
2018 ◽  
Vol 13 (2) ◽  
pp. e0193454 ◽  
Author(s):  
Trung Hai Nguyen ◽  
Chao Zhang ◽  
Ewald Weichselbaum ◽  
Denis G. Knyazev ◽  
Peter Pohl ◽  
...  
Keyword(s):  
Biological Membranes ◽  
Structural Features ◽  
Water Molecules ◽  
Interfacial Water ◽  
Proton Diffusion

Spontaneous protein desorption from self-assembled monolayer (SAM)-coated gold nanoparticles

2018 ◽  
Vol 20 (1) ◽  
pp. 68-74 ◽  
Author(s):  
Ranran Tian ◽  
Mengbo Luo ◽  
Jingyuan Li
Keyword(s):  
Gold Nanoparticles ◽  
Lateral Diffusion ◽  
Water Molecules ◽  
Interfacial Water ◽  
Self Assembled Monolayer ◽  
Adsorption Affinity ◽  
Self Assembled

Interfacial water molecules and lateral diffusion of protein reduce the adsorption affinity of protein and promote protein desorption.

Characterizing the Water Wire in the Gramicidin Channel Found by Monte Carlo Sampling Using Continuum Electrostatics and in Molecular Dynamics Trajectories with Conventional or Polarizable Force Fields

2020 ◽  
pp. 1-20
Author(s):  
Yingying Zhang ◽  
Kamran Haider ◽  
Divya Kaur ◽  
Van A. Ngo ◽  
Xiuhong Cai ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Dipole Moment ◽  
Electrostatic Interactions ◽  
Hybrid Methods ◽  
Force Fields ◽  
Proton Channel ◽  
Water Molecules ◽  
Implicit Solvent ◽  
Continuum Electrostatics ◽  
Hydrogen Bond Networks

Water molecules play a key role in all biochemical processes. They help define the shape of proteins, and they are reactant or product in many reactions and are released as ligands are bound. They facilitate the transfer of protons through transmembrane proton channel, pump and transporter proteins. Continuum electrostatics (CE) force fields used by program Multiconformation CE (MCCE) capture electrostatic interactions in biomolecules with an implicit solvent, which captures the averaged solvent water equilibrium properties. Hybrid CE methods can use explicit water molecules within the protein surrounded by implicit solvent. These hybrid methods permit the study of explicit hydrogen bond networks within the protein and allow analysis of processes such as proton transfer reactions. Yet hybrid CE methods have not been rigorously tested. Here, we present an explicit treatment of water molecules in the Gramicidin A (gA) channel using MCCE and compare the resulting distributions of water molecules and key hydration features against those obtained with explicit solvent Molecular Dynamics (MD) simulations with the nonpolarizable CHARMM36 and polarizable Drude force fields. CHARMM36 leads to an aligned water wire in the channel characterized by a large absolute net water dipole moment; the MCCE and Drude analysis lead to a small net dipole moment as the water molecules change orientation within the channel. The correct orientation is not as yet known, so these calculations identify an open question.

Water Structure on Mica Surfaces: Investigating the Effect of Cations

2019 ◽  
Author(s):  
Jiarun Zhou ◽  
Nurun Nahar Lata ◽  
Sapna Sarupria ◽  
will cantrell
Keyword(s):  
Divalent Cations ◽  
Water Structure ◽  
Ice Nucleation ◽  
Water Molecules ◽  
Interfacial Water ◽  
Ice Nucleation Protein ◽  
Naturally Occurring ◽  
Air Interface ◽  
Bulk Structure ◽  
Dynamics Simulations

We studied thin films of water at the mica-air interface using infrared spectroscopy and molecular dynamics simulations. We investigate the influence of ions on interfacial water by exchanging the naturally occurring K<sup>+</sup> ion with H<sup>+</sup>/Na<sup>+</sup>, Ca<sup>2+</sup>, and Mg<sup>2+</sup>. The experiments do not show a difference in the bulk structure (<i>i. e.</i> in the infrared spectra), but indicate that water is more strongly attracted to the Mg<sup>2+</sup> mica. The simulations reveal that the cation-water interactions significantly influence the microscopic arrangement of water on mica. Our results indicate that the divalent cations result in strong water-mica interactions, which leads to longer hydrogen bond lifetimes and larger hydrogen bonded clusters of interfacial water molecules. These results have implications for surface-mediated processes such as heterogeneous ice nucleation, protein assembly and catalysis.

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