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

A 46.5 MB dataset from figshare, last updated on 2026-04-20, contains results from atomistic modeling of the tear film lipid layer. The work by Changcheng Gao quantifies interactions with six priority indoor smoke constituents, covering a spectrum from polycyclic aromatics to glycerol. It provides quantitative thresholds for classifying ocular hazard and proposes a predictive phase diagram.

Use Cases

• Predicting trans-tear film permeability of airborne chemicals based on hydrophobicity (log P).
• Modeling the mechanical impact of polar smoke components on film compressibility and rupture.
• Classifying indoor smoke molecules as ocular hazards using the proposed three-variable phase diagram.
• Informing the design of pollutant-scavenging artificial tears based on identified interaction mechanisms.

Strengths

• Dataset size is 46.5 MB, indicating a substantial computational output.
• Model covers six priority smoke constituents spanning the full hydrophobicity spectrum.
• Results include quantitative permeability differences of 3–4 orders of magnitude and compressibility reductions of 0.13–0.26 m/mN.
• Provides a predictive framework (phase diagram) for classifying component effects.

Limitations

• Row count and specific column-level documentation are unknown, requiring manual inspection after download.
• The data is shared as a ZIP file; internal structure and formats are not described.
• Freshness should be verified as the last update is dated 2026-04-20.

Provenance

Source

figshare

Collection Method

Atomistic molecular modeling under indoor-relevant conditions.

Freshness

Last updated 2026-04-20 21:45:08.