Molecular dynamics insights of organic and inorganic aerosol interactions with a DPPC-based lung surfactant membrane model

چکیده مقاله

This study investigates the effect of organic aerosols, focusing on fulvic acid (FA), compared to inorganic aerosols represented by tri-silicic acid (TSA), on the DPPC-based Lung Surfactant Membrane Model. Although ADME (absorption, distribution, metabolism, and excretion) predictions indicate that highly water-soluble organic aerosols have minimal health risks due to low bioavailability, experimental data often challenge these assumptions. Utilizing molecular dynamics (MD) simulations, we analyze the interactions of FA and TSA with a model pulmonary surfactant membrane (DPPC bilayer). Our findings demonstrate that FA inflicts significantly greater damage to the DPPC bilayer compared to TSA, contradicting prevailing beliefs regarding the relative safety of organic aerosols. This research emphasizes the intricate nature of biological interactions and highlights the critical need for a more comprehensive understanding of how organic aerosols impact pulmonary membranes. Insights gained from this study may guide the development of effective treatment strategies for health issues associated with aerosol exposure.