scholarly journals Mesodomain and Protein-Associated Solvent Phases with Temperature-Tunable (200–265 K) Dynamics Surround Ethanolamine Ammonia-Lyase in Globally Polycrystalline Aqueous Solution Containing Dimethyl Sulfoxide

2017 ◽  
Vol 121 (49) ◽  
pp. 11109-11118 ◽  
Author(s):  
Benjamen Nforneh ◽  
Kurt Warncke
2020 ◽  
Vol 20 (8) ◽  
pp. 4799-4806
Author(s):  
Peng Xie ◽  
Shubin Jin ◽  
Chenggang Sun ◽  
Yushu Xie

We performed MD simulations to examine dimethyl sulfoxide (DMSO) nanocluster structures in NaCl aqueous solution with different concentrations (0.45 g/100 mL, 0.9 g/100 mL, 1.8 g/100 mL, 2.7 g/100 mL, and 3.6 g/100 mL). Results showed that interaction between Na+ and DMSO at the first solvation shells was weakened due to acceleration rotational influence of ion driven by NaCl concentration. We investigated the tetrahedral order parameter and average H-B number of water molecules. These results indicated that NaCl influenced the solvation structure of water cluster, but that of DMSO was not affected by NaCl. We also found that Na+ was prior solvated by water solution in these mixture systems, and Cl− only existed in the water cluster in our simulation systems. Consequently, we herein proposed a decentralized model that depicts microphysical structure images of DMSO in NaCl aqueous solution systems.


1994 ◽  
Vol 66 (22) ◽  
pp. 4093-4096 ◽  
Author(s):  
A. D. Hatton ◽  
G. Malin ◽  
A. G. McEwan ◽  
P. S. Liss

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