Kinetics of Fading of Some Triphenylmethane Dyes: Effects of Electric Charge, Substituent, and Aqueous Binary Mixtures of Dimethyl Sulfoxide and 2-Propanol

2013 ◽  
Vol 46 (1) ◽  
pp. 60-70 ◽  
Author(s):  
B. Samiey ◽  
Z. Dalvand
Materials ◽  
2021 ◽  
Vol 14 (20) ◽  
pp. 5915
Author(s):  
Piotr Cysewski ◽  
Maciej Przybyłek ◽  
Rafal Rozalski

Solubility enhancement of poorly soluble active pharmaceutical ingredients is of crucial importance for drug development and processing. Extensive experimental screening is limited due to the vast number of potential solvent combinations. Hence, theoretical models can offer valuable hints for guiding experiments aimed at providing solubility data. In this paper, we explore the possibility of applying quantum-chemistry-derived molecular descriptors, adequate for development of an ensemble of neural networks model (ENNM), for solubility computations of sulfamethizole (SMT) in neat and aqueous binary solvent mixtures. The machine learning procedure utilized information encoded in σ-potential profiles computed using the COSMO-RS approach. The resulting nonlinear model is accurate in backcomputing SMT solubility and allowed for extensive screening of green solvents. Since the experimental characteristics of SMT solubility are limited, the data pool was extended by new solubility measurements in water, five neat organic solvents (acetonitrile, N,N-dimethylformamide, dimethyl sulfoxide, 1,4-dioxane, and methanol), and their aqueous binary mixtures at 298.15, 303.15, 308.15, and 313.15 K. Experimentally determined order of decreasing SMT solubility in neat solvents is the following: N,N-dimethylformamide > dimethyl sulfoxide > methanol > acetonitrile > 1,4dioxane >> water, in all studied temperatures. Similar trends are observed for aqueous binary mixtures. Since N,N-dimethylformamide is not considered as a green solvent, the more acceptable replacers were searched for using the developed model. This step led to the conclusion that 4-formylmorpholine is a real alternative to N,N-dimethylformamide, fulfilling all requirements of both high dissolution potential and environmental friendliness.


1992 ◽  
Vol 57 (10) ◽  
pp. 2078-2088 ◽  
Author(s):  
Mohinder S. Chauhan ◽  
Kishore C. Sharma ◽  
Sanjay Gupta ◽  
Suvarcha Chauhan ◽  
Vijay K. Syal

Molar conductances and viscosities of Bu4NBPh4, NaBPh4 and R4NBr (R ethyl, propyl and butyl) at 35 °C in acetonitrile (AN), dimethylsulfoxide (DMSO) and their binary mixtures have been reported. The conductivity data has been analysed by the Shedlovsky conductance equation and viscosity data by the Jones-Dole equation. Resolution of limiting molar conductivity (Λ0) and viscosity B coefficient of electrolytes into their ionic components have been achieved by the reference salt method. Viscosity A coefficients have been compared with theoretical Aη coefficients. Derived conductance and viscosity parameters have been discussed in terms of the ion-solvent interaction.


1995 ◽  
Vol 26 (2) ◽  
pp. 79-102 ◽  
Author(s):  
D. B. Walcerz ◽  
M. J. Taylor ◽  
A. L. Busza

2013 ◽  
Vol 15 (4) ◽  
pp. 1093-1096 ◽  
Author(s):  
Andrew Ellis ◽  
Florian M. Zehentbauer ◽  
Johannes Kiefer

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