title: C₆₀ fullerene promotes lung monolayer collapse.
abstract: Airborne nanometre-sized pollutants are responsible for various respiratory diseases. Such pollutants can reach the gas-exchange surface in the alveoli, which is lined with a monolayer of lung surfactant. The relationship between physiological effects of pollutants and molecular-level interactions is largely unknown. Here, we determine the effects of carbon nanoparticles on the properties of a model of lung monolayer using molecular simulations. We simulate phase-separated lipid monolayers in the presence of a model pollutant nanoparticle, C₆₀ fullerene. In the absence of nanoparticles, the monolayers collapse only at very low surface tensions (around 0 mN m(-1)). In the presence of nanoparticles, instead, monolayer collapse is observed at significantly higher surface tensions (up to ca 10 mN m(-1)). Collapse at higher tensions is related to lower mechanical rigidity of the monolayer. It is possible that similar mechanisms operate on lung surfactant in vivo, which suggests that health effects of airborne carbon nanoparticles may be mediated by alterations of the mechanical properties of lung surfactant.
authors.affiliation: INSERM, UMR-S665, Paris 75015, France Université Paris Diderot, Sorbonne Paris Cité, UMR-S665, Paris 75013, France.
authors.forename: Jonathan
authors.initials: J
authors.lastname: Barnoud
authors.affiliation: INSERM, UMR-S665, Paris 75015, France Université Paris Diderot, Sorbonne Paris Cité, UMR-S665, Paris 75013, France.
authors.forename: Laura
authors.initials: L
authors.lastname: Urbini
authors.affiliation: BMSSI, CNRS UMR 5086, IBCP, Lyon, France Université Claude Bernard Lyon I, Lyon, France luca.monticelli@inserm.fr.
authors.forename: Luca
authors.initials: L
authors.lastname: Monticelli
mesh_terms: D015060:1,2-Dipalmitoylphosphatidylcholine / Q000737:chemistry; D000393:Air Pollutants / Q000737:chemistry; D002244:Carbon / Q000737:chemistry*; D003198:Computer Simulation; D037741:Fullerenes / Q000737:chemistry*; D008168:Lung / Q000187:drug effects* / Q000473:pathology; D056004:Molecular Dynamics Simulation; D053758:Nanoparticles / Q000737:chemistry*; D036103:Nanotechnology; D010713:Phosphatidylcholines / Q000737:chemistry; D011650:Pulmonary Alveoli / Q000473:pathology; D011663:Pulmonary Surfactants / Q000737:chemistry; D013499:Surface Properties; D013500:Surface Tension
chemical_list: D000393:Air Pollutants; D037741:Fullerenes; D010713:Phosphatidylcholines; D011663:Pulmonary Surfactants; D015060:1,2-Dipalmitoylphosphatidylcholine; D002244:Carbon; C017251:1,2-oleoylphosphatidylcholine; C069837:fullerene C60
keywords: coarse-grain; fullerene; lipid monolayer; lung surfactant; molecular dynamics; nanoparticle