Results 31 to 40 of about 1,201,201 (297)

Characterization of the Transition State of Functional Enzyme Dynamics [PDF]

open access: yes, 2006
Through characterization of the solvent isotope effect on protein dynamics, we have examined determinants of the rate limitation to enzyme catalysis. A global conformational change in Ribonuclease A limits the overall rate of catalytic turnover.
Kovriguine, Evgueni, Loria, J. Patrick
core   +2 more sources

Effect of Solvents on Electrogenerated Base-Driven Transfer Hydrogenation Reactions

open access: yesMolecules
Transfer hydrogenation is a crucial technology for synthesizing fine chemicals and pharmaceuticals, offering improved safety and convenience over traditional hydrogen methods, although it typically requires external bases.
Jing-Wei Zhu   +5 more
doaj   +1 more source

Excited State Dynamics of 8-Vinyldeoxyguanosine in Aqueous Solution Studied by Time-Resolved Fluorescence Spectroscopy and Quantum Mechanical Calculations

open access: yesMolecules, 2020
The fluorescent base guanine analog, 8-vinyl-deoxyguanosine (8vdG), is studied in solution using a combination of optical spectroscopies, notably femtosecond fluorescence upconversion and quantum chemical calculations, based on time-dependent density ...
Lara Martinez-Fernandez   +3 more
doaj   +1 more source

Solvent Effects in the Preparation of Catalysts Using Activated Carbon as a Carrier

open access: yesNanomaterials, 2023
The role of solvents is crucial in catalyst preparation. With regard to catalysts prepared with activated carbon (AC) as the carrier, when water is used as a solvent it is difficult for the solution to infiltrate the AC.
Zhuang Xu   +8 more
doaj   +1 more source

Demixing of colloid-polymer mixtures in poor solvents

open access: yes, 2002
The influence of poor solvent quality on fluid demixing of a model mixture of colloids and nonadsorbing polymers is investigated using density functional theory.
Denton, Alan R., Schmidt, Matthias
core   +1 more source

The contribution of electrostatic interactions to the collapse of oligoglycine in water [PDF]

open access: yes, 2016
Protein solubility and conformational stability are a result of a balance of interactions both within a protein and between protein and solvent. The electrostatic solvation free energy of oligoglycines, models for the peptide backbone, becomes more ...
Karandur, D., Pettitt, B. M.
core   +2 more sources

Cellulose Ether/Citric Acid Systems Loaded with SrTiO3 Nanoparticles with Solvent-Tailored Features for Energy-Related Technologies

open access: yesMolecules
This work aimed to advance the knowledge in the field of eco-friendly dielectrics with applicative relevance for future energy-related technologies. New multicomponent composites were prepared by using a cellulose ether/citric acid mixture as the matrix,
Raluca Marinica Albu   +9 more
doaj   +1 more source

Solvent Effects on the Adsorption Geometry and Electronic Structure of Dye-Sensitized TiO2: A First-Principles Investigation [PDF]

open access: yes, 2012
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

Synthesis of eco-friendly ternary sulfide nanocrystals using a new sulfur–decene reagent in hydrocarbons

open access: yesFrontiers in Nanotechnology
A new, highly reactive sulfur precursor was synthesized by dissolving elemental sulfur in 1-decene at an elevated temperature of 170 °C in a pressure tube, enabling the preparation of semiconductor sulfide nanocrystals (NCs) with diverse compositions and
Ivan A. Shuklov   +7 more
doaj   +1 more source

The Crystal Structure and Morphology of 2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) p-Xylene Solvate: A Joint Experimental and Simulation Study

open access: yesMolecules, 2014
The crystal structure of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaiso-wurtzitane (CL-20) p-xylene solvate, and the solvent effects on the crystal faces of CL-20 were studied through a combined experimental and theoretical method.
Fanfan Shen   +4 more
doaj   +1 more source

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