Parameterization and atomistic simulations of biomimetic membranes

2018 ◽  
Vol 209 ◽  
pp. 161-178 ◽  
Author(s):  
Daniel Ryan Barden ◽  
Harish Vashisth
Keyword(s):  
Block Copolymers ◽  
Ethylene Oxide ◽  
Force Field ◽  
Md Simulations ◽  
Atomistic Simulations ◽  
Biomimetic Membranes ◽  
Explicit Solvent ◽  
Poly Ethylene Oxide ◽  
Charmm Force Field ◽  
Poly Ethylene

We have developed CHARMM force-field compatible parameters and conducted all-atom explicit-solvent MD simulations of biomimetic membranes composed of block copolymers of poly(butadiene), poly(isoprene), and poly(ethylene oxide).

Probing the potential of ureasil-poly(ethylene oxide) as a glyphosate scavenger in aqueous milieu: force-field parameterization and MD simulations

2021 ◽  
Author(s):  
Alechania Misturini ◽  
Germano Heinzelmann ◽  
Renato L. T. Parreira ◽  
Eduardo F. Molina ◽  
Giovanni F. Caramori
Keyword(s):  
Ethylene Oxide ◽  
Force Field ◽  
Md Simulations ◽  
High Solubility ◽  
Conventional Agriculture ◽  
Solubility In Water ◽  
Force Field Parameterization ◽  
Intensive Use ◽  
Poly Ethylene Oxide ◽  
Poly Ethylene

The intensive use of glyphosate in conventional agriculture and its high solubility in water have led to contamination of aqueous systems worldwide.

Cleavage of polystyrene-b -poly(ethylene oxide) block copolymers with a trithiocarbonate linkage in solutions

2010 ◽  
Vol 48 (17) ◽  
pp. 3834-3840 ◽  
Author(s):  
Min Cao ◽  
Jian-Qi Wang ◽  
Peng-Cheng Chen ◽  
Jun-Ting Xu ◽  
Zhi-Qiang Fan
Keyword(s):  
Block Copolymers ◽  
Ethylene Oxide ◽  
Poly Ethylene Oxide ◽  
Poly Ethylene

Synthesis and properties of semifluorinated block copolymers containing poly(ethylene oxide) and poly(fluorooctyl methacrylates) via atom transfer radical polymerisation

Polymer ◽  
2002 ◽  
Vol 43 (25) ◽  
pp. 7043-7049 ◽  
Author(s):  
Kwon Taek Lim ◽  
Min Young Lee ◽  
Myung Jun Moon ◽  
Gun Dae Lee ◽  
Seong-Soo Hong ◽  
...  
Keyword(s):  
Block Copolymers ◽  
Ethylene Oxide ◽  
Atom Transfer ◽  
Radical Polymerisation ◽  
Poly Ethylene Oxide ◽  
Poly Ethylene

Synthesis and self-association in aqueous media of poly(ethylene oxide)/poly(ethyl glycidyl carbamate) amphiphilic block copolymers

Polymer ◽  
2006 ◽  
Vol 47 (14) ◽  
pp. 4905-4915 ◽  
Author(s):  
Philip Dimitrov ◽  
Alicja Utrata-Wesołek ◽  
Stanislav Rangelov ◽  
Wojciech Wałach ◽  
Barbara Trzebicka ◽  
...  
Keyword(s):  
Block Copolymers ◽  
Ethylene Oxide ◽  
Aqueous Media ◽  
Amphiphilic Block Copolymers ◽  
Poly Ethylene Oxide ◽  
Self Association ◽  
Poly Ethylene ◽  
Glycidyl Carbamate
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