Published January 2, 2024
| Version v1
Dataset
Open
Simulations of vaping flavourant BA and its acetal by-product BPGA with dynamic protein-containing pulmonary surfactant monolayers
Authors/Creators
- 1. Institute of Biotechnology, University of Helsinki
- 2. Department of Physics, University of Helsinki
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3.
Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry
Description
Atomistic simulations of benzaldehyde (BA) and benzaldehyde propylene glycol acetal (BPGA) with dynamic (area per lipid decreases during the simulation) pulmonary surfactant monolayers containing surfactant protein SP-B, SP-C, or no protein. The simulations are described in detail in the publication:
A. Martin et al., "Exposure to Aldehyde Cherry e‐Liquid Flavoring and Its Vaping Byproduct Disrupt the Pulmonary Surfactant Biophysical Function", Environ. Sci. Technol. (2023). DOI: 10.1021/acs.est.3c07874
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737.3 kB | Download |
Additional details
Funding
- Research Council of Finland
- A Molecular View on the Health Hazards of Ultrafine Particulate Matter 338160