Sodium ion transport across the endothelial glycocalyx layer under electric field conditions: A molecular dynamics study

The Journal of chemical physics · 2020 · Mixed · Very low evidence

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MixedVery low evidencePaper 2281

Study snapshot

PublicationThe Journal of chemical physics · 2020

Study typein_vitro

Reported directionMixed

Evidence ratingVery low

Abstract

Sodium ion transport across the endothelial glycocalyx layer under electric field conditions: A molecular dynamics study Xi Zhuo Jiang, Lumeng Yang, Yiannis Ventikos, Kai H Luo. Sodium ion transport across the endothelial glycocalyx layer under electric field conditions: A molecular dynamics study. J Chem Phys. 2020 Sep 14;153(10):105102. doi: 10.1063/5.0014177. Abstract In the present research, the sodium ion transport across the endothelial glycocalyx layer (EGL) under an imposed electric field is investigated, for the first time, using a series of molecular dynamics simulations. The electric field is perpendicularly imposed on the EGL with varying strengths. The sodium ion molarity difference between the inner and outer layers of EGL, Δc, is used to quantify the sodium transport in the presence of the negatively charged glycocalyx sugar chains. Results suggest that a weak electric field increases Δc, regardless of whether the electric field is imposed perpendicularly inward or outward. By contrast, a strong electric field drives sodium ions to travel in the same orientation as the electric field. Scrutiny of the charge distribution of the glycocalyx sugar chains suggests that the electric field modifies the spatial layouts of glycocalyx atoms as it drives the transport of sodium ions. The modification in glycocalyx layouts further changes the inter-molecular interactions between glycocalyx sugar chains and sodium ions, thereby limiting the electric field control of ion transport. The sodium ions, in turn, alter the apparent bending stiffness of glycocalyx. Moreover, the negative charges of the glycocalyx sugar chains play an important role in maintaining structural stability of endothelial glycocalyx. Based on the findings, a hypothesis is proposed regarding the existence of a strength threshold of the electric field in controlling charged particles in the endothelium, which offers an alternative explanation for contrasting results in previous experimental observations. pubmed.ncbi.nlm.nih.gov

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AI evidence extraction

Structured fields below were generated from the paper’s abstract and metadata to make the evidence easier to inspect. Automated extraction may be incomplete or incorrect; verify important details against the original paper.

Study typein_vitro

Effect directionmixed

PopulationNot supplied

Sample sizeNot supplied

ExposureNot supplied

Evidence strengthVery lowConfidence: 74% · Peer reviewed: yes

Main findings

Molecular dynamics simulations of the endothelial glycocalyx layer under a perpendicularly imposed electric field found that weak electric fields increased the sodium ion molarity difference (Δc) between inner and outer layers regardless of inward/outward direction, while strong electric fields drove sodium ions to travel in the same orientation as the field. The electric field was reported to modify glycocalyx atom layouts and interactions with sodium ions, which may limit electric-field control of ion transport; sodium ions were also reported to alter apparent glycocalyx bending stiffness.

Outcomes measured

Sodium ion transport across endothelial glycocalyx layer (Δc molarity difference)
Charge distribution/spatial layout changes of glycocalyx sugar chains under electric field
Intermolecular interactions between glycocalyx sugar chains and sodium ions
Apparent bending stiffness of glycocalyx
Structural stability of endothelial glycocalyx related to negative charges

Limitations

Molecular dynamics simulation study; findings may not directly translate to in vivo physiology
Electric field strengths described qualitatively (weak/strong) without specific values in the abstract
No exposure frequency or SAR information provided

View raw extracted JSON

{
  "study_type": "in_vitro",
  "exposure": {
    "band": null,
    "source": "imposed electric field (simulation)",
    "frequency_mhz": null,
    "sar_wkg": null,
    "duration": null
  },
  "population": null,
  "sample_size": null,
  "outcomes": [
    "Sodium ion transport across endothelial glycocalyx layer (Δc molarity difference)",
    "Charge distribution/spatial layout changes of glycocalyx sugar chains under electric field",
    "Intermolecular interactions between glycocalyx sugar chains and sodium ions",
    "Apparent bending stiffness of glycocalyx",
    "Structural stability of endothelial glycocalyx related to negative charges"
  ],
  "main_findings": "Molecular dynamics simulations of the endothelial glycocalyx layer under a perpendicularly imposed electric field found that weak electric fields increased the sodium ion molarity difference (Δc) between inner and outer layers regardless of inward/outward direction, while strong electric fields drove sodium ions to travel in the same orientation as the field. The electric field was reported to modify glycocalyx atom layouts and interactions with sodium ions, which may limit electric-field control of ion transport; sodium ions were also reported to alter apparent glycocalyx bending stiffness.",
  "effect_direction": "mixed",
  "limitations": [
    "Molecular dynamics simulation study; findings may not directly translate to in vivo physiology",
    "Electric field strengths described qualitatively (weak/strong) without specific values in the abstract",
    "No exposure frequency or SAR information provided"
  ],
  "evidence_strength": "very_low",
  "confidence": 0.74,
  "peer_reviewed_likely": "yes",
  "keywords": [
    "endothelial glycocalyx layer",
    "EGL",
    "sodium ion transport",
    "electric field",
    "molecular dynamics",
    "charge distribution",
    "bending stiffness",
    "structural stability"
  ],
  "suggested_hubs": []
}

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AI-extracted fields are generated from the abstract and metadata and may be incomplete or incorrect. This material is for informational purposes and is not medical advice.

Identifiers and source

DOI: 10.1063/5.0014177
PubMed: 32933268

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