Application of Polarisable Continuum Modelling to assess Minoxidil solubility in mixed solvents

Author(s):  
Mehri Kouhkan ◽  
Parisa Abbasi ◽  
Peyvand Ghanbarpour ◽  
Elaheh Rahimpour ◽  
William E. Acree ◽  
...  
1958 ◽  
Vol 17 (5_6) ◽  
pp. 300-314 ◽  
Author(s):  
Rayburn Whorton ◽  
Edward S. Amis

1988 ◽  
Vol 53 (4) ◽  
pp. 671-685 ◽  
Author(s):  
Oldřich Pytela ◽  
Miroslav Ludwig

A theoretical description of the effect of changed composition of mixed solvents on processes in solutions has been suggested on the basis of the proportionality between the Gibbs energy change of the process and that of the solvent due to the transition from pure components to the mixture. The additional Gibbs energy has been expressed by means of the so-called classical functions by Margules, van Laar-Wohl, and van Laar-Null. The application to 115 various processes (pK, IR, UV-VIS, NMR, log k, and others) has confirmed that the theoretical presumptions are justified, the most suitable being Margules' 4th order model which shows a statistically significant difference from the models of lower orders.


1965 ◽  
Vol 10 (1) ◽  
pp. 29-31 ◽  
Author(s):  
R. E. Busby ◽  
V. S. Griffiths

Molecules ◽  
2021 ◽  
Vol 26 (12) ◽  
pp. 3773
Author(s):  
Martina Gudelj ◽  
Paola Šurina ◽  
Lucija Jurko ◽  
Ante Prkić ◽  
Perica Bošković

Micellar systems are colloids with significant properties for pharmaceutical and food applications. They can be used to formulate thermodynamically stable mixtures to solubilize hydrophobic food-related substances. Furthermore, micellar formation is a complex process in which a variety of intermolecular interactions determine the course of formation and most important are the hydrophobic and hydrophilic interactions between surfactant–solvent and solvent–solvent. Glycols are organic compounds that belong to the group of alcohols. Among them, propane-1,2-diol (PG) is a substance commonly used as a food additive or ingredient in many cosmetic and hygiene products. The nature of the additive influences the micellar structure and properties of sodium dodecyl sulfate (SDS). When increasing the mass fraction of propane-1,2-diol in binary mixtures, the c.m.c. values decrease because propane-1,2-diol is a polar solvent, which gives it the ability to form hydrogen bonds, decreasing the cohesivity of water and reducing the dielectric constant of the aqueous phase. The values of ΔGm0 are negative in all mixed solvents according to the reduction in solvophobic interactions and increase in electrostatic interaction. With the rising concentration of cosolvent, the equilibrium between cosolvent in bulk solution and in the formed micelles is on the side of micelles, leading to the formation of micelles at a lower concentration with a small change in micellar size. According to the 1H NMR, with the addition of propylene glycol, there is a slight shift of SDS peaks towards lower ppm regions in comparison to the D2O peak. The shift is more evident with the increase in the amount of added propane-1,2-diol in comparison to the NMR spectra of pure SDS. Addition of propane-1,2-diol causes the upfield shift of the protons associated with hydrophilic groups, causing the shielding effect. This signifies that the alcohol is linked with the polar head groups of SDS due to its proximity to the SDS molecules.


2021 ◽  
Vol 154 (13) ◽  
pp. 134903
Author(s):  
Swaminath Bharadwaj ◽  
Divya Nayar ◽  
Cahit Dalgicdir ◽  
Nico F. A. van der Vegt

1930 ◽  
Vol 87 (2) ◽  
pp. 197-238
Author(s):  
Norval F. Burk ◽  
David M. Greenberg

1927 ◽  
Vol 73 (2) ◽  
pp. 581-586
Author(s):  
M.J. Gottenberg ◽  
C.L. Alsberg
Keyword(s):  

2021 ◽  
pp. 153059
Author(s):  
Cong Dai ◽  
Céline Varvenne ◽  
Peyman Saidi ◽  
Zhongwen Yao ◽  
Mark R. Daymond ◽  
...  

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