Proton Transfer Mechanisms in Bimetallic Hydrogenases

2020 ◽  
Vol 54 (1) ◽  
pp. 232-241
Author(s):  
Hulin Tai ◽  
Shun Hirota ◽  
Sven T. Stripp
Keyword(s):  
Proton Transfer ◽  
Transfer Mechanisms

Proton transport over nanoparticle surface in insulating nanoparticle film-based humidity sensor

2022 ◽  
Author(s):  
Shinya Kano ◽  
Harutaka MEKARU
Keyword(s):  
Activation Energy ◽  
Proton Transfer ◽  
Proton Transport ◽  
Humidity Sensor ◽  
Silica Nanoparticle ◽  
Humidity Sensors ◽  
Nanoparticle Surface ◽  
Transfer Mechanisms ◽  
Hydrophobic Ligand ◽  
Nanoparticle Film

Abstract We study a proton transport on the surface of insulating nanoparticles for humidity sensors. We use the approach to reveal proton transfer mechanisms in humidity sensitive materials. Hydrophilic and hydrophobic ligand-terminated silica nanoparticle films are adopted for evaluating temperature dependence of the ion conductivity. According to the activation energy of the conductivity, we explain the Grotthuss (H+ transfer) and vehicular (H3O+ transfer) mechanisms are mainly dominant on hydrophilic (-OH terminated) and hydrophobic (acrylate terminated) surface of nanoparticles, respectively. This investigation gives us a clue to understand a proton transfer mechanism in solution-processed humidity-sensitive materials such as oxide nanomaterials.

Competitive excited-state single or double proton transfer mechanisms for bis-2,5-(2-benzoxazolyl)-hydroquinone and its derivatives

2015 ◽  
Vol 17 (18) ◽  
pp. 11990-11999 ◽  
Author(s):  
Jinfeng Zhao ◽  
Junsheng Chen ◽  
Jianyong Liu ◽  
Mark R. Hoffmann
Keyword(s):  
Density Functional Theory ◽  
Excited State ◽  
Proton Transfer ◽  
Density Functional ◽  
Intramolecular Proton Transfer ◽  
Time Dependent ◽  
Functional Theory ◽  
Double Proton Transfer ◽  
Transfer Mechanisms ◽  
Dependent Density

The excited state intramolecular proton transfer (ESIPT) mechanism of HBO, BBHQ and DHBO have been investigated using time-dependent density functional theory (TDDFT).

scholarly journals Modulation of the Redox Potential and Electron/Proton Transfer Mechanisms in the Outer Membrane Cytochrome OmcF From Geobacter sulfurreducens

2020 ◽  
Vol 10 ◽  
Author(s):  
Liliana R. Teixeira ◽  
Cristina M. Cordas ◽  
Marta P. Fonseca ◽  
Norma E. C. Duke ◽  
Phani Raj Pokkuluri ◽  
...  
Keyword(s):  
Proton Transfer ◽  
Redox Potential ◽  
Outer Membrane ◽  
Geobacter Sulfurreducens ◽  
Electron Proton Transfer ◽  
Transfer Mechanisms

A questionable excited-state double-proton transfer mechanism for 3-hydroxyisoquinoline

2015 ◽  
Vol 17 (2) ◽  
pp. 1142-1150 ◽  
Author(s):  
Jinfeng Zhao ◽  
Junsheng Chen ◽  
Yanling Cui ◽  
Jing Wang ◽  
Lixin Xia ◽  
...  
Keyword(s):  
Acetic Acid ◽  
Excited State ◽  
Proton Transfer ◽  
Transfer Mechanism ◽  
Double Proton Transfer ◽  
Excited State Proton Transfer ◽  
Acid Acid ◽  
Transfer Mechanisms

Two excited state proton transfer mechanisms of 3-hydroxyisoquinoline (3HIQ) in cyclohexane and acetic acid (ACID) were investigated.

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