Interleaflet Decoupling in a Lipid Bilayer at Excess Cholesterol Probed by Spectroscopic Ellipsometry and Simulations

Kamble, Sagar; Patil, Sandeep B.; Kulkarni, Mandar; Appala, Venkata Ramana Murthy

doi:10.1007/s00232-020-00156-9

Cited by 1 publication

(1 citation statement)

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“…The overall gas concentration in the system significantly exceeds the lipid phase saturation limits, which is the main cause for the alleged deviation of gas atom numbers from lipophilicity conduct, leading to subsequent separations of lipid monolayers [52]. A similar effect of excessive cholesterol concentration causing DOPC monolayers' separation was reported, while CG simulations displayed the accumulation of cholesterol molecules at the interface of the lower and upper monolayers of the bilayer, thus leading to undulations in the bilayer with subsequent unzipping [53]. The real concentration of noble gases under hyperbaric conditions, or even clinical volatile anesthetics under standard conditions in the close microenvironment of the living neuron, is a matter of intensive debate.…”

Section: Discussionmentioning

confidence: 72%

Studying the Effects of Dissolved Noble Gases and High Hydrostatic Pressure on the Spherical DOPC Bilayer Using Molecular Dynamic Simulations

Pavlyuk,

Yungerman,

Bliznyuk

et al. 2024

Membranes

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Fine-grained molecular dynamics simulations have been conducted to depict lipid objects enclosed in water and interacting with a series of noble gases dissolved in the medium. The simple point-charge (SPC) water system, featuring a boundary composed of 1,2-Dioleoyl-sn-glycero-3-phosphocholine (DOPC) molecules, maintained stability throughout the simulation under standard conditions. This allowed for the accurate modeling of the effects of hydrostatic pressure at an ambient pressure of 25 bar. The chosen pressure references the 240 m depth of seawater: the horizon frequently used by commercial divers, who comprise the primary patient population of the neurological complication of inert gas narcosis and the consequences of high-pressure neurological syndrome. To quantify and validate the neurological effects of noble gases and discriminate them from high hydrostatic pressure, we reduced the dissolved gas molar concentration to 1.5%, three times smaller than what we previously tested for the planar bilayer (3.5%). The nucleation and growth of xenon, argon and neon nanobubbles proved consistent with the data from the planar bilayer simulations. On the other hand, hyperbaric helium induces only a residual distorting effect on the liposome, with no significant condensed gas fraction observed within the hydrophobic core. The bubbles were distributed over a large volume—both in the bulk solvent and in the lipid phase—thereby causing substantial membrane distortion. This finding serves as evidence of the validity of the multisite distortion hypothesis for the neurological effect of inert gases at high pressure.

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Section: Discussionmentioning

confidence: 72%