نتایج جستجو برای: solvent
تعداد نتایج: 55449 فیلتر نتایج به سال:
In this work, the solubilities of pharmaceutical cocrystals in solvent/anti-solvent systems were predicted using PC-SAFT in order to increase the efficiency of cocrystal formation processes. Modeling results and experimental data were compared for the cocrystal system nicotinamide/succinic acid (2:1) in the solvent/anti-solvent mixtures ethanol/water, ethanol/acetonitrile and ethanol/ethyl acet...
We describe the preparation of a thermoresponsive microgel, which can non-covalently immobilize active proteins with enhanced biocatalytic performance in organic solvents and easy reusability due to the porous microstructure and temperature responsive property.
The temperature of spin-crossover in [Fe(3-bpp)(2)][BF(4)](2) (3-bpp = 2,6-di{pyrazol-3-yl}pyridine) tends to increase in associating solvents. In particular, T(½) shifts to 60-70 K higher temperature in water compared to organic solvents.
A self-assembled M(2)L(4) palladium-pyridyl cluster with a "paddle-wheel" structure shows binding affinity in competitive organic solvents for neutral organic guests that possess both the correct size and electrostatic complementarity.
Discrete nature of water plays critical role in protein folding and thermodynamics. Explicit all-atom modeling of solvent severely limits the length and time scales of molecular dynamics simulations of protein. In this project, we evaluated accuracy and computational efficiency of four different solvent models, all-atom solvent models ( SPC/E and TIP3P ), Generalized Born Implicit Solvent, and ...
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