Medium Effects on the Decarboxylation of a Biotin Model in Pure and Mixed Solvents from QM/MM Simulations

2006 ◽  
Vol 71 (13) ◽  
pp. 4896-4902 ◽  
Author(s):  
Orlando Acevedo ◽  
William L. Jorgensen
Keyword(s):  
Mixed Solvents ◽  
Medium Effects ◽  
Pure And Mixed Solvents

Temperaturabhängigkeit der statischen Dielektrizitätskonstante und des optischen Brechungsindexes von Flüssigkeiten

1975 ◽  
Vol 30 (3) ◽  
pp. 287-291 ◽  
Author(s):  
I. Gryczyński ◽  
A. Kawski
Keyword(s):  
Dielectric Constant ◽  
Refractive Index ◽  
Dipole Moment ◽  
Dipole Moments ◽  
Mixed Solvents ◽  
Temperature Changes ◽  
Temperature Dependences ◽  
Solvent Shifts ◽  
Pure And Mixed Solvents ◽  
Good Agreement

A variation of the temperature changes the static dielectric constant (ε) and the refractive index (n) of solvents and, in conjunction with the measurement of solvent shifts of absorption and fluorescence maxima, allows the investigation of dipole moment changes of solutes in the excited state. For this purpose, investigations of the temperature dependences of ε and n of some pure and mixed solvents of different polarities have been made. It is found that the excited dipole moments of indole, 1,2-dimethylindole, 2,3-dimethylindole and tryptophan obtained from the shifts of the fluorescence maxima in mixed solvents at high temperatures are in good agreement with those obtained in other ways.

Kinetic medium effects. IV. Transition state activity coefficients in mixed solvents

1972 ◽  
Vol 25 (4) ◽  
pp. 777 ◽  
Author(s):  
PT McTigue ◽  
AR Watkins
Keyword(s):  
Transition State ◽  
Activity Coefficients ◽  
Mixed Solvents ◽  
State Theory ◽  
Medium Effects ◽  
State Activity ◽  
Medium Activity ◽  
Solvent Systems ◽  
Kinetics Of ◽  
Hydrolysis Of

The kinetics of acid hydrolysis of a number of aliphatic acetals have been studied in dimethyl sulphoxide-water and dioxan-water mixtures. Where possible, experimentally measured medium activity coefficients for the acetals in the solvent systems have been used in order to calculate the transition state activity coefficients as a function of solvent composition. These activity coefficients are compared with those calculated for the transition states of other hydrolytic reactions, and with the known activity coefficients of some stable ions. The results show no features inconsistent with the assumptions of transition state theory.

Solubility of Gastrodin in Pure and Mixed Solvents at 273.15–313.15 K and Its Correlation with Different Thermodynamic Models

2019 ◽  
Vol 64 (10) ◽  
pp. 4223-4229 ◽  
Author(s):  
Yuwei Zhu ◽  
Xiang Chen ◽  
Ting Luo ◽  
Wei Wang ◽  
Hong Chen ◽  
...  
Keyword(s):  
Mixed Solvents ◽  
Thermodynamic Models ◽  
Pure And Mixed Solvents

Swelling of Random Copolymer Networks in Pure and Mixed Solvents: Multi-Component Flory–Rehner Theory

2017 ◽  
Vol 121 (33) ◽  
pp. 7963-7977 ◽  
Author(s):  
Rutvik V. Godbole ◽  
Fardin Khabaz ◽  
Rajesh Khare ◽  
Ronald C. Hedden
Keyword(s):  
Mixed Solvents ◽  
Random Copolymer ◽  
Pure And Mixed Solvents

Measurement and correlation of the solubility of Lidocaine in eight pure and mixed solvents at temperatures from (292.15 to 332.15) K

2017 ◽  
Vol 242 ◽  
pp. 168-174 ◽  
Author(s):  
Guangyi Zhou ◽  
Baohua Wang ◽  
Lei Ding ◽  
Jiejie Dong ◽  
Fang Wang ◽  
...  
Keyword(s):  
Mixed Solvents ◽  
Pure And Mixed Solvents
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