Solvent Effects on the Adsorption Geometry and Electronic Structure of Dye-Sensitized TiO2: A First-Principles Investigation [PDF]
The performance of dye-sensitized solar cells (DSSCs) depends significantly on the adsorption geometry of the dye on the semiconductor surface. In turn, the stability and geometry of the adsorbed molecules is influenced by the chemical environment at the
De Angelis, Filippo +2 more
core +1 more source
A new thermodynamic model for the prediction of asphaltene precipitation in crude oil [PDF]
It has been proved that asphaltene precipitation is a difficult problem to define and study. Precipitation of these complex and heavy organic compounds can cause serious problems in crude oil production and transportation, residual oil processing and ...
Alireza Fazlali +3 more
doaj
Performance Cellulose acetate (CA) were characterized by the variation of solvent composition (acetone and formic acid) with a mole ratio of 5/10; 6/9; 7/8; 8.7; and 9/6 and the addition of additives MSG 6%. Characterization was conducted on the membrane
Dwi Indarti +2 more
doaj +1 more source
Revealing the structure of land plant photosystem II: the journey from negative‐stain EM to cryo‐EM
Advances in cryo‐EM have revealed the detailed structure of Photosystem II, a key protein complex driving photosynthesis. This review traces the journey from early low‐resolution images to high‐resolution models, highlighting how these discoveries deepen our understanding of light harvesting and energy conversion in plants.
Roman Kouřil
wiley +1 more source
Comparative study on the gas to solution phase solvation free energies of model combustion flue gas compounds (N~2~, O~2~, CO~2~, H~2~O, SO~2~, and CO) in 178 organic solvents using the IEFPCM-UFF, CPCM, and SMD implicit solvent models at the Gaussian-4 (G4) level of theory [PDF]
Gas to solution phase Gibbs free energies of solvation at 298.15 K for transfer of six representative combustion flue gas compounds (N~2~, O~2~, CO~2~, H~2~O, SO~2~, and CO) were calculated at the Gaussian-4 (G4) level of theory using the IEFPCM-UFF ...
Kaya Forest, Sierra Rayne
core +2 more sources
We describe the clinical evaluation of the nervous-system effects of solvent exposure. We review the current evidence in the epidemiological literature on neurotoxicological effects of solvents, and outline methods and issues to be taken into account in assessment of the patient whose symptoms may be related to solvent toxicity.
R F, White, S P, Proctor
openaire +2 more sources
RAD50 missense variants differentially affect the DNA damage response and mitotic progression
RAD50 incorporates into the MRN complex and initiates the DNA damage response. Furthermore, RAD50 promotes mitotic progression. RAD50 missense variants capable of forming an MRN complex supported the DNA damage response and mitotic features to different extents in complementation experiments, indicating these functions are separable and might impact ...
Hanna Redeker +9 more
wiley +1 more source
The structure of fluids with impurities
The influence of dilute impurities on the structure of a fluid solvent is investigated theoretically. General arguments, which do not rely on particular models, are used to derive an extension of the Ornstein-Zernike form for the solvent structure factor
Bier, M., Harnau, L.
core +1 more source
Mapping the evolution of mitochondrial complex I through structural variation
Respiratory complex I (CI) is crucial for bioenergetic metabolism in many prokaryotes and eukaryotes. It is composed of a conserved set of core subunits and additional accessory subunits that vary depending on the organism. Here, we categorize CI subunits from available structures to map the evolution of CI across eukaryotes. Respiratory complex I (CI)
Dong‐Woo Shin +2 more
wiley +1 more source
The stability constants of copper complexes with isonicotinamide and the ligand protonation constants in a range of compositions of a water-ethanol solvent of 0.0 – 0.7 molar fractions of ethanol at 298.2 K and an ionic strength of the medium 0.25 ...
N.A. Chesnokova +2 more
doaj +1 more source

