Results 51 to 60 of about 549,625 (269)

Characterization of Water Dissociation on $\alpha$-Al$_{2}$O$_{3}$$(1\bar{1}02)$: Theory and Experiment

open access: yes, 2016
The interaction of water with $\alpha$-alumina (i.e. $\alpha$-Al$_{2}$O$_{3}$ surfaces is important in a variety of applications and a useful model for the interaction of water with environmentally abundant aluminosilicate phases.
Campen, R. Kramer   +5 more
core   +1 more source

Binary nucleation of sulfuric acid-water: Monte Carlo simulation [PDF]

open access: yes, 1998
We have developed a classical mechanical model for the H2SO4/H2O binary system. Monte Carlo simulation was performed in a mixed ensemble, in which the number of sulfuric acid molecules is fixed while that of water molecules is allowed to fluctuate ...
Kusaka, I., Seinfeld, J. H., Wang, Z.-G.
core   +1 more source

Peptide‐based ligand antagonists block a Vibrio cholerae adhesin

open access: yesFEBS Letters, EarlyView.
The structure of a peptide‐binding domain of the Vibrio cholerae adhesin FrhA was solved by X‐ray crystallography, revealing how the inhibitory peptide AGYTD binds tightly at its Ca2+‐coordinated pocket. Structure‐guided design incorporating D‐amino acids enhanced binding affinity, providing a foundation for developing anti‐adhesion therapeutics ...
Mingyu Wang   +9 more
wiley   +1 more source

Chlorine Adsorption on TiO2(110)/Water Interface: Nonadiabatic Molecular Dynamics Simulations for Photocatalytic Water Splitting

open access: yesElectronic Materials, 2023
Chloride is one of the most abundant ions in sea water, which is more available than fresh water. Due to lack of H2O adsorbate states near the valence band maximum (VBM) edge, the difficulty of water dissociation incidents has been reported on the rutile
Yin-Pai Lin   +6 more
doaj   +1 more source

Oxygen Hydration Mechanism for the Oxygen Reduction Reaction at Pt and Pd Fuel Cell Catalysts [PDF]

open access: yes, 2011
We report the reaction pathways and barriers for the oxygen reduction reaction (ORR) on platinum, both for gas phase and in solution, based on quantum mechanics calculations (PBE-DFT) on semi-infinite slabs. We find a new mechanism in solution: O_2 → 2O_(
Goddard, William A., III   +4 more
core   +1 more source

Sequence determinants of RNA G‐quadruplex unfolding by Arg‐rich regions

open access: yesFEBS Letters, EarlyView.
We show that Arg‐rich peptides selectively unfold RNA G‐quadruplexes, but not RNA stem‐loops or DNA/RNA duplexes. This length‐dependent activity is inhibited by acidic residues and is conserved among SR and SR‐related proteins (SRSF1, SRSF3, SRSF9, U1‐70K, and U2AF1).
Naiduwadura Ivon Upekala De Silva   +10 more
wiley   +1 more source

Structural instability impairs function of the UDP‐xylose synthase 1 Ile181Asn variant associated with short‐stature genetic syndrome in humans

open access: yesFEBS Letters, EarlyView.
The Ile181Asn variant of human UDP‐xylose synthase (hUXS1), associated with a short‐stature genetic syndrome, has previously been reported as inactive. Our findings demonstrate that Ile181Asn‐hUXS1 retains catalytic activity similar to the wild‐type but exhibits reduced stability, a looser oligomeric state, and an increased tendency to precipitate ...
Tuo Li   +2 more
wiley   +1 more source

Dissociation Behaviors of CO2 Hydrate-Bearing Sediment Particle during Settling in Water

open access: yesEnergies, 2018
Dissociation processes of gas hydrate-bearing sediment particles in water flow condition were investigated. Experiments were carried out by observing a spherical CO2 hydrate-bearing sediment (CHBS) particle settling in water.
Peng Li, Xuhui Zhang, Xiaobing Lu
doaj   +1 more source

Thermodynamic and geomechanical processes research in the development of gas hydrate deposits in the conditions of the Black Sea [PDF]

open access: yes, 2018
Purpose. Research of thermodynamic and geomechanical processes occurring in a gas hydrate body under the influence of an activating agent (sea water from surface layers) in the conditions of the Black Sea by mathematical modeling using finite element ...
Bondarenko, V   +3 more
core   +1 more source

The (Glg)ABCs of cyanobacteria: modelling of glycogen synthesis and functional divergence of glycogen synthases in Synechocystis sp. PCC 6803

open access: yesFEBS Letters, EarlyView.
We reconstituted Synechocystis glycogen synthesis in vitro from purified enzymes and showed that two GlgA isoenzymes produce glycogen with different architectures: GlgA1 yields denser, highly branched glycogen, whereas GlgA2 synthesizes longer, less‐branched chains.
Kenric Lee   +3 more
wiley   +1 more source

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