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

19.6 MB of molecular simulation data from figshare, authored by Changcheng Gao and last updated in April 2026. The dataset quantifies interactions between six priority indoor smoke constituents and an atomistic tear film lipid layer model under indoor-relevant conditions. It provides quantitative thresholds for ocular hazard classification and complements respiratory-centric risk models.

Use Cases

• Predicting trans-tear film permeability of smoke components based on hydrophobicity (log P)
• Modeling the nucleation of hydrophilic nanodomains and their impact on water-evaporation flux
• Analyzing the effect of carbonyl- and hydroxyl-bearing species on film compressibility and rupture
• Classifying ocular hazard levels for indoor smoke components using a proposed three-variable phase diagram

Strengths

• Focuses on six priority indoor smoke constituents covering the full hydrophobicity spectrum
• Provides quantitative thresholds for ocular hazard classification
• Includes a proposed three-variable phase diagram for predicting component behavior

Limitations

• Column-level documentation is absent; field semantics must be inferred after download
• Row count is unknown, which may limit suitability assessment
• Data may reflect methodological bias inherent to the specific molecular modeling approach

Provenance

Source

figshare

Collection Method

Atomistic molecular modeling and simulation

Freshness

Last updated 2026-04-20 21:44:58