Pharmacological Intensification of the Process of Water Dissociation, or Human Photosynthesis, and Its Impact on the Recovery Mechanisms of Diverse Etiology in Tissues Affected by Bloodshed

2021 ◽  
pp. 106-117
Author(s):  
Arturo Solís Herrera ◽  
María del Carmen Arias Esparza ◽  
J. Jesús Alvarado Esquivel ◽  
Graciela Landín Miranda ◽  
Ruth Isabel Solís Arias ◽  
...  
Keyword(s):  
Water Dissociation ◽  
Recovery Mechanisms

scholarly journals The Pharmacologic Intensification of the Water Dissociation Process, or Human Photosynthesis, and Its Effect over the Recovery Mechanisms in Tissues Affected by Bloodshed of Diverse Etiology

2011 ◽  
Vol 02 (03) ◽  
pp. 332-338 ◽  
Author(s):  
Arturo Solís Herrera ◽  
María del Carmen Arias Esparza ◽  
J. Jesús Alvarado Esquivel ◽  
Graciela Landín Miranda ◽  
Ruth Isabel Solís Arias ◽  
...  
Keyword(s):  
Water Dissociation ◽  
Dissociation Process ◽  
Recovery Mechanisms

A First-Principles Computational Comparison of the Aqueous Anatase TiO2 (001) Interface and the Disordered, Fluorinated TiO2 Interface

2018 ◽  
Author(s):  
Kyle Reeves ◽  
Damien Dambournet ◽  
Christel Laberty-Robert ◽  
Rodolphe Vuilleumier ◽  
Mathieu Salanne
Keyword(s):  
Density Of States ◽  
Density Functional ◽  
Water Dissociation ◽  
Water Molecules ◽  
Chemical Doping ◽  
Charge Balance ◽  
Functional Theory ◽  
Adsorption Of Water ◽  
Properties Of Materials ◽  
Computational Comparison

Chemical doping and other surface modifications have been used to engineer the bulk properties of materials, but their influence on the surface structure and consequently the surface chemistry are often unknown. Previous work has been successful in fluorinating anatase TiO<sub>2</sub> with charge balance achieved via the introduction of Ti vacancies rather than the reduction of Ti. Our work here investigates the interface between this fluorinated titanate with cationic vacancies and a<br>monolayer of water via density functional theory based molecular dynamics. We compute the projected density of states for only those atoms at the interface and for those states that fall within 1eV of the Fermi energy for various steps throughout the simulation, and we determine that the<br>variation in this representation of the density of states serves as a reasonable tool to anticipate where surfaces are most likely to be reactive. In particular, we conclude that water dissociation at the surface is the main mechanism that influences the anatase (001) surface whereas the change in<br>the density of states at the surface of the fluorinated structure is influenced primarily through the adsorption of water molecules at the surface.

A First-Principles Computational Comparison of the Aqueous Anatase TiO2 (001) Interface and the Disordered, Fluorinated TiO2 Interface

2018 ◽  
Author(s):  
Kyle Reeves ◽  
Damien Dambournet ◽  
Christel Laberty-Robert ◽  
Rodolphe Vuilleumier ◽  
Mathieu Salanne
Keyword(s):  
Density Of States ◽  
Density Functional ◽  
Water Dissociation ◽  
Water Molecules ◽  
Chemical Doping ◽  
Charge Balance ◽  
Functional Theory ◽  
Adsorption Of Water ◽  
Properties Of Materials ◽  
Computational Comparison

Chemical doping and other surface modifications have been used to engineer the bulk properties of materials, but their influence on the surface structure and consequently the surface chemistry are often unknown. Previous work has been successful in fluorinating anatase TiO<sub>2</sub> with charge balance achieved via the introduction of Ti vacancies rather than the reduction of Ti. Our work here investigates the interface between this fluorinated titanate with cationic vacancies and a<br>monolayer of water via density functional theory based molecular dynamics. We compute the projected density of states for only those atoms at the interface and for those states that fall within 1eV of the Fermi energy for various steps throughout the simulation, and we determine that the<br>variation in this representation of the density of states serves as a reasonable tool to anticipate where surfaces are most likely to be reactive. In particular, we conclude that water dissociation at the surface is the main mechanism that influences the anatase (001) surface whereas the change in<br>the density of states at the surface of the fluorinated structure is influenced primarily through the adsorption of water molecules at the surface.

Distributed C2 System Recovery Mechanisms

1988 ◽  
Author(s):  
William T. Wood ◽  
Helmut K. Berg ◽  
Anand R. Tripathi ◽  
Jonathan Silverman ◽  
Elaine N. Frankowski
Keyword(s):  
Recovery Mechanisms

scholarly journals Maturation, inactivation, and recovery mechanisms of soluble guanylyl cyclase

2021 ◽  
Vol 296 ◽  
pp. 100336
Author(s):  
Dennis J. Stuehr ◽  
Saurav Misra ◽  
Yue Dai ◽  
Arnab Ghosh
Keyword(s):  
Guanylyl Cyclase ◽  
Soluble Guanylyl Cyclase ◽  
Recovery Mechanisms

scholarly journals Enhanced oil recovery mechanisms of polymer flooding in a heterogeneous oil reservoir

2021 ◽  
Vol 48 (1) ◽  
pp. 169-178
Author(s):  
Xiangguo LU ◽  
Bao CAO ◽  
Kun XIE ◽  
Weijia CAO ◽  
Yigang LIU ◽  
...  
Keyword(s):  
Enhanced Oil Recovery ◽  
Oil Recovery ◽  
Polymer Flooding ◽  
Oil Reservoir ◽  
Recovery Mechanisms

scholarly journals Plutonium complexes in water: new approach to ab initio modeling

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Mikhail V. Ryzhkov ◽  
Andrei N. Enyashin ◽  
Bernard Delley
Keyword(s):  
Quantitative Estimation ◽  
Water Solution ◽  
Geometry Optimization ◽  
Model Potential ◽  
Water Dissociation ◽  
New Approach ◽  
Molecular Systems ◽  
Screening Model ◽  
Solvent Environment ◽  
Structure Calculations

Abstract Geometry optimization and the electronic structure calculations of Pu Z+ complexes (Z = 3–6) in water solution have been performed, within the framework of the DMol3 and Relativistic Discrete-Variational (RDV) methods. For the simulation of Pu Z+ molecular environment in aqueous solution we used 22 and 32 water molecules randomly distributed around cation. To model the effect of bulk solvent environment we used COSMO (Conductor-like Screening Model) potential for water (ε = 78.54). The obtained results showed that this approach allows the modeling of water dissociation and the formation of hydrolysis products. Our previously suggested scheme for the calculation of interaction energies between selected fragments of multi-molecular systems provides the quantitative estimation of the interaction strengths between plutonium in various oxidation states and each ligand in the first and second coordination shells in water solution.

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