Distribution of Counter Ions in Negatively-charged Lipid/Water/Air Interface: Molecular Dynamics Study

Takahashi, Teruyuki; Harada, Ryuhei; Shigeta, Yasuteru

doi:10.1246/cl.200043

Cited by 1 publication

(2 citation statements)

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“…There are a lot of papers study the ion distribution near the cell membrane [ 33 , 48 , 49 , 50 ]. It can be seen that the common ions such as Cl − and Na + are not evenly distributed near the lipid membrane.…”

Section: Resultsmentioning

confidence: 99%

“…It was shown that the thickness of the electronic double layer is different from the classical Debye length, which is a bit longer than the former. It was also found that the distance between the ions in the solution and the membrane charge changes depending on the difference in ionic charge owing to the water molecules around the ions [ 33 ]. Rodriguez and García studied NaCl ion distributions around DPPC lipid bilayers [ 34 ].…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Molecular Dynamics Study of the Effect of Charge and Glycosyl on Superoxide Anion Distribution near Lipid Membrane

Meng

Liu

Zhao

et al. 2023

IJMS

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To examine the effects of membrane charge, the electrolyte species and glycosyl on the distribution of negatively charged radical of superoxide anion (·O2−) around the cell membrane, different phospholipid bilayer systems containing ·O2− radicals, different electrolytes and phospholipid bilayers were constructed through Charmm-GUI and Amber16. These systems were equilibrated with molecular dynamics by using Gromacs 5.0.2 to analyze the statistical behaviors of ·O2− near the lipid membrane under different conditions. It was found that in the presence of potassium rather than sodium, the negative charge of the phospholipid membrane is more likely to rarefy the superoxide anion distribution near the membrane surface. Further, the presence of glycosyl significantly reduced the density of ·O2− near the phospholipid bilayer by 78.3% compared with that of the neutral lipid membrane, which may have a significant contribution to reducing the lipid peroxidation from decreasing the ·O2− density near the membrane.

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