Analysis of Atomistic Potentials for Poly(ethylene glycol) Ethers

2020 ◽  
Author(s):  
Tasneem Ottallah ◽  
Sophia A. Parandian ◽  
Steven W. Rick
Keyword(s):  
Ethylene Glycol ◽  
Poly Ethylene Glycol ◽  
Glycol Ethers ◽  
Poly Ethylene ◽  
Ethylene Glycol Ethers

Development of an AMBER-compatible transferable force field for poly(ethylene glycol) ethers (glymes)

2017 ◽  
Vol 23 (6) ◽  
Author(s):  
Nathalia S. V. Barbosa ◽  
Yong Zhang ◽  
Eduardo R. A. Lima ◽  
Frederico W. Tavares ◽  
Edward J. Maginn
Keyword(s):  
Ethylene Glycol ◽  
Force Field ◽  
Poly Ethylene Glycol ◽  
Glycol Ethers ◽  
Poly Ethylene ◽  
Ethylene Glycol Ethers ◽  
Transferable Force Field

scholarly journals Hydrophobic catalysis and a potential biological role of DNA unstacking induced by environment effects

2019 ◽  
Vol 116 (35) ◽  
pp. 17169-17174 ◽  
Author(s):  
Bobo Feng ◽  
Robert P. Sosa ◽  
Anna K. F. Mårtensson ◽  
Kai Jiang ◽  
Alex Tong ◽  
...  
Keyword(s):  
Ethylene Glycol ◽  
Optical Tweezers ◽  
Single Molecule ◽  
Hydrophobic Interactions ◽  
Persistence Length ◽  
Poly Ethylene Glycol ◽  
Glycol Ethers ◽  
Base Stacking ◽  
Poly Ethylene ◽  
Dna Double Helix

Hydrophobic base stacking is a major contributor to DNA double-helix stability. We report the discovery of specific unstacking effects in certain semihydrophobic environments. Water-miscible ethylene glycol ethers are found to modify structure, dynamics, and reactivity of DNA by mechanisms possibly related to a biologically relevant hydrophobic catalysis. Spectroscopic data and optical tweezers experiments show that base-stacking energies are reduced while base-pair hydrogen bonds are strengthened. We propose that a modulated chemical potential of water can promote “longitudinal breathing” and the formation of unstacked holes while base unpairing is suppressed. Flow linear dichroism in 20% diglyme indicates a 20 to 30% decrease in persistence length of DNA, supported by an increased flexibility in single-molecule nanochannel experiments in poly(ethylene glycol). A limited (3 to 6%) hyperchromicity but unaffected circular dichroism is consistent with transient unstacking events while maintaining an overall average B-DNA conformation. Further information about unstacking dynamics is obtained from the binding kinetics of large thread-intercalating ruthenium complexes, indicating that the hydrophobic effect provides a 10 to 100 times increased DNA unstacking frequency and an “open hole” population on the order of 10−2 compared to 10−4 in normal aqueous solution. Spontaneous DNA strand exchange catalyzed by poly(ethylene glycol) makes us propose that hydrophobic residues in the L2 loop of recombination enzymes RecA and Rad51 may assist gene recombination via modulation of water activity near the DNA helix by hydrophobic interactions, in the manner described here. We speculate that such hydrophobic interactions may have catalytic roles also in other biological contexts, such as in polymerases.

PIEZOELECTRIC PROPERTIES OF POLY(3-HYDROXYBUTYRATE-CO-3-HEDROXYBUTYRATE)-CO-POLY(ETHYLENE GLYCOL) PRODUCED BY CONTROLLED MICROBIOLOGICAL BIOSYNTHESIS

2019 ◽  
Vol 10 (10) ◽  
Author(s):  
Anton Bonartsev ◽  
Vera Voinova ◽  
Elizaveta Akoulina ◽  
Andrey Dudun ◽  
Irina Zharkova ◽  
...  
Keyword(s):  
Ethylene Glycol ◽  
Piezoelectric Properties ◽  
Poly Ethylene Glycol ◽  
Poly Ethylene

Thermosensitives hydrogels based on poly (ethylene glycol): I. Synthesis, characterization and release

2007 ◽  
Vol 32 (5) ◽  
pp. 431-446 ◽  
Author(s):  
Tahar Bartil ◽  
Mahmoud Bounekhel ◽  
Cedric Calberg ◽  
Robert Jerome
Keyword(s):  
Ethylene Glycol ◽  
Poly Ethylene Glycol ◽  
Poly Ethylene

Quantifying Heart Valve Interstitial Cell Contractile State Using Highly Tunable Poly(Ethylene Glycol) Hydrogels

2019 ◽  
Author(s):  
Alex Khang ◽  
Andrea Gonzalez Rodriguez ◽  
Megan E. Schroeder ◽  
Jacob Sansom ◽  
Emma Lejeune ◽  
...  
Keyword(s):  
Ethylene Glycol ◽  
Heart Valve ◽  
Interstitial Cell ◽  
Poly Ethylene Glycol ◽  
Contractile State ◽  
Poly Ethylene
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