scholarly journals Characterizing Hydration Properties Based on the Orientational Structure of Interfacial Water Molecules

2018 ◽  
Vol 14 (2) ◽  
pp. 461-465 ◽  
Author(s):  
Sucheol Shin ◽  
Adam P. Willard
Keyword(s):  
Water Molecules ◽  
Interfacial Water ◽  
Hydration Properties ◽  
Orientational Structure

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 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.

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.

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.

scholarly journals An insight into methanol oxidation mechanisms on RuO2(100) under an aqueous environment by DFT calculations

2017 ◽  
Vol 19 (11) ◽  
pp. 7476-7480 ◽  
Author(s):  
Tian Sheng ◽  
Jin-Yu Ye ◽  
Wen-Feng Lin ◽  
Shi-Gang Sun
Keyword(s):  
Dft Calculations ◽  
Methanol Oxidation ◽  
Density Functional ◽  
Md Simulations ◽  
Water Molecules ◽  
Aqueous Environment ◽  
Interfacial Water ◽  
Functional Theory ◽  
Oxidation Mechanisms ◽  
Insight Into

In this work, we have studied methanol oxidation mechanisms on RuO2(100) by using density functional theory (DFT) calculations and ab initio molecular dynamics (MD) simulations with some explicit interfacial water molecules.

scholarly journals Multiple interfacial hydration of dihydro-sphingomyelin bilayer reported by the Laurdan fluorescence

2018 ◽  
Author(s):  
N. Watanabe (N. W.) ◽  
Y. Goto (Y. G) ◽  
K. Suga (K. S.) ◽  
T. Nyholm (T. N.) ◽  
J. P. Slotte (J. P. S.) ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Lipid Bilayer ◽  
Fluorescence Probe ◽  
Center Of Mass ◽  
Emission Spectra ◽  
Careful Analysis ◽  
Water Molecules ◽  
Hydration Properties ◽  
Head Groups ◽  
Laurdan Fluorescence

AbstractThe hydration properties of the lipid bilayer interface are important for determining membrane characteristics. The hydration properties of different lipid bilayer species were evaluated using the solvent sensitive fluorescence probe, 6-lauroyl-2-dimethylamino naphthalene (Laurdan). Sphingolipids, D-erythro-N-palmitoyl-sphingosylphosphorylcholine (PSM) and D-erythro-N-palmitoyl-dihydrosphingomyelin (DHPSM) showed specific, interfacial hydration properties stemming from their intra- and intermolecular hydrogen bonds. As control, the bilayers of glycerophospholipids, such as 1-palmitoyl-2-palmitoyl-sn-glycero-3-phosphocholine (DPPC) and 1-oleoyl-2-oleoyl-sn-glycero-3-phosphocholine (DOPC), were also evaluated. The fluorescence properties of Laurdan in sphingolipids indicated multiple excited states according to the results obtained from the emission spectra, fluorescence anisotropy, and the center of mass spectra during the decay time. Deconvolution of the Laurdan emission spectra into four components enabled us to identify the variety of hydration and the configurational states derived from intermolecular hydrogen bonding in sphingolipids. Particularly, the Laurdan in DHPSM revealed more hydrated properties compared to the case in PSM, even though DHPSM has a higher Tm than PSM. Since DHPSM forms hydrogen bonds with water molecules (in 2NH configurational functional groups) and the different flexibility among the head groups compared with PSM, which could modulate space to retain a high amount of water molecules. The careful analysis of Laurdan such as the deconvolution of emission spectra into four components performed in this study gives the important view for understanding the membrane hydration property.

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