Comparative analysis of solvation and selectivity in room temperature ionic liquids using the Abraham linear free energy relationship

2006 ◽  
Vol 8 (10) ◽  
pp. 906 ◽  
Author(s):  
Michael H. Abraham ◽  
William E. Acree, Jr.
Keyword(s):  
Free Energy ◽  
Ionic Liquids ◽  
Comparative Analysis ◽  
Room Temperature ◽  
Room Temperature Ionic Liquids ◽  
Linear Free Energy Relationship ◽  
Linear Free Energy

scholarly journals Comparative Analysis of Fluorinated Anions for Polypyrrole Linear Actuator Electrolytes

Polymers ◽  
2019 ◽  
Vol 11 (5) ◽  
pp. 849 ◽  
Author(s):  
Nguyen Quang Khuyen ◽  
Zane Zondaka ◽  
Madis Harjo ◽  
Janno Torop ◽  
Tarmo Tamm ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Comparative Analysis ◽  
Propylene Carbonate ◽  
Room Temperature ◽  
Mechanical Deformation ◽  
Electroactive Polymer ◽  
Room Temperature Ionic Liquids ◽  
Linear Actuator ◽  
Carbonate Solutions ◽  
Linear Actuators

Either as salts or room temperature ionic liquids, fluorinated anion-based electrolytes have been a common choice for ionic electroactive polymer actuators, both linear and bending. In the present work, propylene carbonate solutions of four electrolytes of the three hugely popular anions—triflouromethanesulfonate, bis(trifluoromethane)sulfonimide, and hexafluorophosphate were compared and evaluated in polypyrrole linear actuators. The actuation direction, the characteristics—performance relations influence the behavior of the actuators. Isotonic Electro-chemo-mechanical deformation (ECMD) measurements were performed to study the response of the PPy/DBS samples. The highest strain for pristine PPy/DBS linear actuators was found in range of 21% for LiTFSI, while TBAPF6 had the least cation involvement, suggesting the potential for application in durable and controllable actuators. Interesting cation effects on the actuation of the same anions (CF3SO3−) were also observed.

scholarly journals Computational Analysis of the Effect of [Tea][Ms] and [Tea][H2PO4] Ionic Liquids on the Structure and Stability of Aβ(17-42) Amyloid Protofibrils

2020 ◽  
Author(s):  
Dorothea Gobbo ◽  
Andrea Cavalli ◽  
Pietro Ballone ◽  
Antonio Benedetto
Keyword(s):  
Free Energy ◽  
Ionic Liquids ◽  
Room Temperature ◽  
Computational Analysis ◽  
Experimental Studies ◽  
Room Temperature Ionic Liquids ◽  
Organic Salts ◽  
Structure And Stability ◽  
Physiological Conditions ◽  
The Stability

<div>Experimental studies have reported the possibility of affecting the growth/dissolution of amyloid fibres by the addition of organic salts of the room-temperature ionic-liquids family, raising the tantalizing prospect of controlling these processes at physiological conditions. The effect of [Tea][Ms] and [Tea][H2PO4] at various concentrations on the structure and stability of a simple model of Aβ42 fibrils has been investigated by computational means. Free energy computations show that both [Tea][Ms] and [Tea][H2PO4] decrease the stability of fibrils with respect to isolated peptides in solution, and the effect is significantly stronger for [Tea][Ms]. The secondary structure of fibrils is not much affected, but single peptides in solution show a marked decr<br></div>ease in their $\beta$-strand character, and an increase in <br>$\alpha$-propensity, again especially for [Tea][Ms]. These observations, consistent with the experimental picture, can be traced to two primary effects, i.e., the different ionicity of the [Tea][Ms] and [Tea][H2PO4] water solutions, and the remarkable affinity of peptides for [Ms]^- anions, due to a multiplicity of H-bonds.

scholarly journals Computational Analysis of the Effect of [Tea][Ms] and [Tea][H2PO4] Ionic Liquids on the Structure and Stability of Aβ(17-42) Amyloid Protofibrils

2020 ◽  
Author(s):  
Dorothea Gobbo ◽  
Andrea Cavalli ◽  
Pietro Ballone ◽  
Antonio Benedetto
Keyword(s):  
Free Energy ◽  
Ionic Liquids ◽  
Room Temperature ◽  
Computational Analysis ◽  
Experimental Studies ◽  
Room Temperature Ionic Liquids ◽  
Organic Salts ◽  
Structure And Stability ◽  
Physiological Conditions ◽  
The Stability

<div>Experimental studies have reported the possibility of affecting the growth/dissolution of amyloid fibres by the addition of organic salts of the room-temperature ionic-liquids family, raising the tantalizing prospect of controlling these processes at physiological conditions. The effect of [Tea][Ms] and [Tea][H2PO4] at various concentrations on the structure and stability of a simple model of Aβ42 fibrils has been investigated by computational means. Free energy computations show that both [Tea][Ms] and [Tea][H2PO4] decrease the stability of fibrils with respect to isolated peptides in solution, and the effect is significantly stronger for [Tea][Ms]. The secondary structure of fibrils is not much affected, but single peptides in solution show a marked decr<br></div>ease in their $\beta$-strand character, and an increase in <br>$\alpha$-propensity, again especially for [Tea][Ms]. These observations, consistent with the experimental picture, can be traced to two primary effects, i.e., the different ionicity of the [Tea][Ms] and [Tea][H2PO4] water solutions, and the remarkable affinity of peptides for [Ms]^- anions, due to a multiplicity of H-bonds.

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