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Solvent model for protein crystals: on occupancy parameters for discrete solvent sites and the solvent continuum

Acta Crystallographica Section B Structural Science, 1990
On the basis of test calculations, Kundrot & Richards [Acta Cryst. (1987), B43, 544-547] suggest that for models of protein crystal structures based on limited-resolution X-ray data, it is not appropriate to vary both the occupany (Q) and thermal (B) parameters for the solvent molecules during refinement.
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Estimation of solvent-tolerance of bacteria by the solvent parameter log P

Journal of Fermentation and Bioengineering, 1991
The solvent-tolerance of Gram-negative and Gram-positive bacteria were determined by the solvent parameter, log P. The solvent-tolerance of bacteria tested were in the following order, Pseudomonas>Escherichia, Serratia, Klebsiella>Proteus, Achromobacter, Acinetobacter>Alteromonas, Aeromonas, Flavobacterium>Alcaligenes, Bacillus>Agrobacterium ...
Akira Inoue, Koki Horikoshi
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Grouping solvents by statistical analysis of solvent property parameters: implication to polymorph screening

International Journal of Pharmaceutics, 2004
The success rate of discovering new polymorphs by crystallization from solution may be increased if solvents with diverse properties are used during initial polymorph screening. In this study, eight solvent parameters, including hydrogen bond acceptor propensity, hydrogen bond donor propensity, polarity/dipolarity, dipole moment, dielectric constant ...
Chong-Hui, Gu   +3 more
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Solubility and thermodynamic parameters of nicotinic acid in different solvents

The Journal of Chemical Thermodynamics, 2022
Nicotinic acid is an important compound needed for the body to keep proper functioning and stay healthy. The determination of solubility parameters in different solvents can be useful for operations such as crystallization or encapsulation of nicotinic acid. This work aimed to evaluate the solubility of nicotinic acid in nine solvents: water, methanol,
Marcel Silveira   +4 more
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Empirical Parameters of the Polarity of Solvents

Angewandte Chemie International Edition in English, 1965
AbstractThe empirical parameters of the polarity of solvents which have been determined recently are reviewed: Y‐values (Winstein, Grunwald), X‐values (Gielen, Nasielski), Ω‐values (Berson, Hamlet, Mueller), Z‐values (Kosower), ET‐values (Dimroth, Reichardt, Siepmann, Bohlmann), R‐ and S‐values (Brownstein).
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A first-principles alternative to empirical solvent parameters

Physical Chemistry Chemical Physics
This manuscript presents a new first principles solvent parameter that unifies the myriad empirical solvent parameters used throughout chemistry.
Kasimir P. Gregory   +4 more
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Study of Solvent effect of Protic solvent on Solvolysis of Hexanoate ester and Activation parameters

Asian Journal of Research in Chemistry, 2020
The kinetics of alkaline hydrolysis of propyl Hexanote has been studied as a base catalyst under second order reaction at the temperature range from 20 to 40°C. The reaction rate was measured volumetrically over a range of water-propanol mixed solvent(30–70% v/v).The reaction rate was found to be increased with increasing temperature at all composition
A. K. Singh, L. K. Tiwari
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Polymer–Solvent Interaction Parameter χ

2007
14.1 Definition . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 177 14.2 Methods of Measurement . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178 14.3 General Features and Significance . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
Robert A. Orwoll, Pamela A. Arnold
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To gel or not to gel: correlating molecular gelation with solvent parameters

Chemical Society Reviews, 2015
Solvent parameters provide an understanding into the driving forces governing SAFiN formation aiding in the quest for a universal gelator.
Y, Lan   +4 more
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The effect of the solvent on the film-forming parameters of hydroxypropyl-cellulose

International Journal of Pharmaceutics, 2005
In pharmaceutical technology, film-forming agents are often applied in solution during the preparation of solid dosage forms. A wide range of polymers have already been examined, but many of the effects of the applied solvent on the properties of the film are still not fully known.
János, Bajdik   +5 more
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