Interaction of biologically relevant ions and organic molecules with titanium oxide (rutile) surfaces: A review on molecular dynamics studies
Publications associées (36)
Graph Chatbot
Chattez avec Graph Search
Posez n’importe quelle question sur les cours, conférences, exercices, recherches, actualités, etc. de l’EPFL ou essayez les exemples de questions ci-dessous.
AVERTISSEMENT : Le chatbot Graph n'est pas programmé pour fournir des réponses explicites ou catégoriques à vos questions. Il transforme plutôt vos questions en demandes API qui sont distribuées aux différents services informatiques officiellement administrés par l'EPFL. Son but est uniquement de collecter et de recommander des références pertinentes à des contenus que vous pouvez explorer pour vous aider à répondre à vos questions.
Solid-liquid interfaces are ubiquitous. Despite the unquestioned relevance, many scientific research fields rely on simplified or macroscopic descriptions, discarding the molecular nature of the constituents. However, it is the specific molecular interacti ...
The solvation of ions in a dielectric continuum is symmetric with respect to the sign of the ionic charge. Yet, many phenomena show indirect evidence that water may have a preference for negative charge: the vast majority of biological membrane interfaces ...
This work introduces trifluorotoluene as an alternative organic solvent for studying charge transfer across liquid vertical bar liquid interfaces. In comparison with the most popular organic solvents in this field, 1,2-dichloroethane and nitrobenzene, trif ...
The commercially available fluorescence dye 8-hydroxypyrene-1,3,6-trisulfonate (HPTS) can be used as a selective molecular probe for the detection of caffeine in aqueous solution. ...
In this study Bacillus sp. MTCC5877 was explored for the production of biosurfactant (BSs) and various carbon sources 1% (w/v), 0.5% (w/v) nitrogen sources were tested at different pH, and temperature. Yield was measured in terms of Emulsification index (E ...
We present synchrotron-based I4d photoelectron spectroscopy experiments of solutions from LiI and LiI3 in water, ethanol, and acetonitrile. The experimentally determined solvent-induced binding energy shifts (SIBES) for the monatomic I- anion are compared ...
The thermal response of three proteins with mesophilic, thermophilic and hyperthermophilic character hints at the essential role played in thermostability by the protein-water interface. The formation of spanning water clusters enveloping the macromolecule ...
Effects of methanol solvent on characteristics of water-methanol solvated sulfonated poly(2,6-dimethyl-1,4-phenylene oxide) (SPPO) membranes were investigated at different methanol concentrations and temperatures using molecular dynamics simulations. Simul ...
As the water uptake by particles and clouds influences the radiative balance of the Earth, it is desirable to understand the mechanisms and parameters, which regulate water uptake in these colloidal particles. In this work, molecular dynamics simulations w ...
Understanding the fundamental reactions accompanying the capture of carbon dioxide in amine solutions is critical for the design of high-performance solvents and requires an accurate modeling of the solute-solvent interaction. As a first step toward this g ...