Molecular Interactions of Indoor Smoke Components with the Tear Film Lipid Layer

Molecular Insights into Ocular Exposure Risk of Indoor Smoke Components on the Tear Film is a dataset from figshare containing atomistic simulation results. The data quantifies interactions between six priority indoor smoke constituents and a tear film lipid layer model under indoor-relevant conditions. The work was authored by Changcheng Gao and last updated on 2026-04-20.

Use Cases

• Predict trans-tear film permeability of smoke components based on hydrophobicity (log P).
• Model the formation of hydrophilic nanodomains and their impact on water-evaporation flux.
• Analyze how carbonyl- and hydroxyl-bearing species affect film compressibility and rupture.
• Apply the proposed three-variable phase diagram to classify ocular hazard for new chemicals.

Strengths

• Data is derived from an atomistic model of the tear film lipid layer, a key physiological barrier.
• Covers six smoke constituents spanning the full hydrophobicity spectrum from polycyclic aromatics to glycerol.
• Provides quantitative thresholds for 'ocular hazard' classification, complementing respiratory risk models.
• File size is 32.9 MB, indicating a focused and likely manageable dataset.

Limitations

• Row count and specific column-level documentation are unknown, requiring inspection after download.
• The dataset's simulation-based nature may require domain expertise to interpret and apply.

Provenance

Source

Changcheng Gao via figshare.

Collection Method

Constructed via computational atomistic modeling and simulation.

Freshness

Last updated 2026-04-20 21:45:04.