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

A computational dataset from figshare, authored by Changcheng Gao and last updated in April 2026. It contains atomistic simulation data quantifying the interactions between six priority indoor smoke constituents and the tear film lipid layer under indoor-relevant conditions. The work proposes a phase diagram to predict component penetration, water loss, and film rupture.

Use Cases

• Predicting trans-tear film permeability of smoke components based on their hydrophobicity (log P).
• Modeling the mechanical impact of polar smoke agglomerates on film compressibility and rupture.
• Classifying indoor smoke components as ocular hazards based on quantitative thresholds derived from the data.
• Informing the design of pollutant-scavenging artificial tears based on identified interaction mechanisms.

Strengths

• Data is derived from an atomistic model of the tear film lipid layer, providing molecular-level insights.
• Covers six priority smoke constituents spanning the full hydrophobicity spectrum from polycyclic aromatics to glycerol.
• Quantifies specific effects, such as permeability differences of 3–4 orders of magnitude and compressibility reductions of 0.13–0.26 m/mN.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment for specific modeling tasks.
• The dataset is 42.5 MB, which is a small scale and may limit the breadth of simulated conditions.

Provenance

Source

figshare

Collection Method

Computational molecular dynamics simulations of an atomistic tear film lipid layer model.

Time Range

Simulation data likely corresponds to the study period, but specific temporal coverage is not stated.

Freshness

Last updated 2026-04 20 21:45:10; freshness should be verified.

Geography

Not applicable; the data is from computational modeling, not geographic collection.