Microscopic Structure of Contact Ion Pairs in Concentrated LiCl- and LiClO4-Tetrahydrofuran Solutions Studied by Low-Frequency Isotropic Raman Scattering and Neutron Diffraction with 6Li/7Li Isotopic Substitution Methods

2016 ◽  
Vol 120 (20) ◽  
pp. 4668-4678 ◽  
Author(s):  
Yasuo Kameda ◽  
Saki Ebina ◽  
Yuko Amo ◽  
Takeshi Usuki ◽  
Toshiya Otomo
1985 ◽  
Vol 46 (C8) ◽  
pp. C8-443-C8-447 ◽  
Author(s):  
A. Boukenter ◽  
B. Champagnon ◽  
E. Duval ◽  
A. F. Wright

2020 ◽  
Author(s):  
James Sterling ◽  
Wenjuan Jiang ◽  
Wesley M. Botello-Smith ◽  
Yun L. Luo

Molecular dynamics simulations of hyaluronic acid and heparin brushes are presented that show important effects of ion-pairing, water dielectric decrease, and co-ion exclusion. Results show equilibria with electroneutrality attained through screening and pairing of brush anionic charges by cations. Most surprising is the reversal of the Donnan potential that would be expected based on electrostatic Boltzmann partitioning alone. Water dielectric decrement within the brush domain is also associated with Born hydration-driven cation exclusion from the brush. We observe that the primary partition energy attracting cations to attain brush electroneutrality is the ion-pairing or salt-bridge energy associated with cation-sulfate and cation-carboxylate solvent-separated and contact ion pairs. Potassium and sodium pairing to glycosaminoglycan carboxylates and sulfates consistently show similar abundance of contact-pairing and solvent-separated pairing. In these crowded macromolecular brushes, ion-pairing, Born-hydration, and electrostatic potential energies all contribute to attain electroneutrality and should therefore contribute in mean-field models to accurately represent brush electrostatics.


2020 ◽  
Vol 124 (35) ◽  
pp. 7611-7624
Author(s):  
Andrew J. Farrell ◽  
Mario González-Jiménez ◽  
Gopakumar Ramakrishnan ◽  
Klaas Wynne

2013 ◽  
Vol 38 (6) ◽  
pp. 824 ◽  
Author(s):  
N. V. Tcherniega ◽  
K. I. Zemskov ◽  
V. V. Savranskii ◽  
A. D. Kudryavtseva ◽  
A. Y. Olenin ◽  
...  

2015 ◽  
Vol 123 ◽  
pp. 204-211 ◽  
Author(s):  
Chatthai Kaewtong ◽  
Buncha Pulpoka ◽  
Thawatchai Tuntulani

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