Self-Assembly of Cations in Aqueous Solutions of Hydroxyl-Functionalized Ionic Liquids: Molecular Dynamics Studies

2015 ◽  
Vol 119 (35) ◽  
pp. 11815-11824 ◽  
Author(s):  
Sourav Palchowdhury ◽  
B. L. Bhargava
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Aqueous Solutions ◽  
Self Assembly

scholarly journals Ammonium based stabilizers effectively counteract urea-induced denaturation in a small protein: insights from molecular dynamics simulations

RSC Advances ◽  
2017 ◽  
Vol 7 (83) ◽  
pp. 52888-52906 ◽  
Author(s):  
Soham Sarkar ◽  
Soumadwip Ghosh ◽  
Rajarshi Chakrabarti
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Aqueous Solutions ◽  
Molecular Dynamics Simulations ◽  
Room Temperature ◽  
Conformational Stability ◽  
Deep Eutectic Solvents ◽  
Room Temperature Ionic Liquids ◽  
Small Protein ◽  
Dynamics Simulations

Room temperature ionic liquids (IL) and deep eutectic solvents (DES) are known to aid the conformational stability and activity of proteins and enzymes in aqueous solutions.

pH triggered self-assembly structural transition of ionic liquids in aqueous solutions: smart use of pH-responsive additives

RSC Advances ◽  
2015 ◽  
Vol 5 (80) ◽  
pp. 65583-65590 ◽  
Author(s):  
Huiyong Wang ◽  
Bo Tan ◽  
Hucheng Zhang ◽  
Jianji Wang
Keyword(s):  
Ionic Liquid ◽  
Ionic Liquids ◽  
Aqueous Solutions ◽  
Self Assembly ◽  
Structural Transition ◽  
Ph Value ◽  
Ph Responsive ◽  
Single Chain ◽  
Solution Ph ◽  
Spherical Micelles

The pH responsive fluids consisting of single-chain ionic liquid surfactants [Cnmim]Br (n = 12, 14) and hydrotropes can reversibly transform from spherical micelles to vesicles then to spherical micelles again with the change of the solution pH value.

scholarly journals Surface Interaction of Ionic Liquids: Stabilization of Polyethylene Terephthalate-Degrading Enzymes in Solution

Molecules ◽  
2021 ◽  
Vol 27 (1) ◽  
pp. 119
Author(s):  
Zeenat Zara ◽  
Deepti Mishra ◽  
Saurabh Kumar Pandey ◽  
Eva Csefalvay ◽  
Fatemeh Fadaei ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Ionic Liquid ◽  
Ionic Liquids ◽  
Aqueous Solutions ◽  
Molecular Dynamics Simulations ◽  
Polyethylene Terephthalate ◽  
Pure Water ◽  
Structure And Dynamics ◽  
Dynamics Simulations

The effect of aqueous solutions of selected ionic liquids solutions on Ideonella sakaiensis PETase with bis(2-hydroxyethyl) terephthalate (BHET) substrate were studied by means of molecular dynamics simulations in order to identify the possible effect of ionic liquids on the structure and dynamics of enzymatic Polyethylene terephthalate (PET) hydrolysis. The use of specific ionic liquids can potentially enhance the enzymatic hydrolyses of PET where these ionic liquids are known to partially dissolve PET. The aqueous solution of cholinium phosphate were found to have the smallest effect of the structure of PETase, and its interaction with (BHET) as substrate was comparable to that with the pure water. Thus, the cholinium phosphate was identified as possible candidate as ionic liquid co-solvent to study the enzymatic hydrolyses of PET.

Self-assembly in aqueous solutions of imidazolium ionic liquids and their mixtures with an anionic surfactant

2009 ◽  
Vol 336 (2) ◽  
pp. 793-802 ◽  
Author(s):  
Natalia A. Smirnova ◽  
Alexandr A. Vanin ◽  
Evgenia A. Safonova ◽  
Igor B. Pukinsky ◽  
Yuri A. Anufrikov ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Aqueous Solutions ◽  
Anionic Surfactant ◽  
Self Assembly ◽  
Imidazolium Ionic Liquids
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