title: ModelingIn VivoInteractions of Engineered Nanoparticles in the Pulmonary Alveolar Lining Fluid.
abstract: Increasing use of engineered nanomaterials (ENMs) in consumer products may result in widespread human inhalation exposures. Due to their high surface area per unit mass, inhaled ENMs interact with multiple components of the pulmonary system, and these interactions affect their ultimate fate in the body. Modeling of ENM transport and clearancein vivohas traditionally treated tissues as well-mixed compartments, without consideration of nanoscale interaction and transformation mechanisms. ENM agglomeration, dissolution and transport, along with adsorption of biomolecules, such as surfactant lipids and proteins, cause irreversible changes to ENM morphology and surface properties. The model presented in this article quantifies ENM transformation and transport in the alveolar air to liquid interface and estimates eventual alveolar cell dosimetry. This formulation brings together established concepts from colloidal and surface science, physics, and biochemistry to provide a stochastic framework capable of capturing essentialin vivoprocesses in the pulmonary alveolar lining layer. The model has been implemented forin vitrosolutions with parameters estimated from relevant publishedin vitromeasurements and has been extended here toin vivosystems simulating human inhalation exposures. Applications are presented for four different ENMs, and relevant kinetic rates are estimated, demonstrating an approach for improving humanin vivopulmonary dosimetry.
authors.affiliation: Environmental and Occupational Health Sciences Institute (EOHSI), Rutgers University, 170 Frelinghuysen Road, Piscataway, NJ 08854, USA ; Department of Environmental and Occupational Medicine, Robert Wood Johnson Medical School, Rutgers University, 170 Frelinghuysen Road, Piscataway, NJ 08854, USA ; Department of Chemical and Biochemical Engineering, Rutgers University, 98 Brett Road, Piscataway, NJ 08854, USA.
authors.forename: Dwaipayan
authors.initials: D
authors.lastname: Mukherjee
authors.affiliation: Department of Materials and London Centre of Nanotechnology, Imperial College London, Exhibition Road, London SW7 2AZ, UK.
authors.forename: Alexandra
authors.initials: A
authors.lastname: Porter
authors.affiliation: Department of Materials and London Centre of Nanotechnology, Imperial College London, Exhibition Road, London SW7 2AZ, UK.
authors.forename: Mary
authors.initials: M
authors.lastname: Ryan
authors.affiliation: Department of Environmental and Occupational Health, School of Public Health, Rutgers University, 683 Hoes Lane West, Piscataway, NJ 08854, USA.
authors.forename: Stephan
authors.initials: S
authors.lastname: Schwander
authors.affiliation: National Heart and Lung Institute, Imperial College London, Dovehouse Street, London SW3 6LY, UK.
authors.forename: Kian Fan
authors.initials: KF
authors.lastname: Chung
authors.affiliation: National Heart and Lung Institute, Imperial College London, Dovehouse Street, London SW3 6LY, UK.
authors.forename: Teresa
authors.initials: T
authors.lastname: Tetley
authors.affiliation: Nicholas School of the Environment and Duke Global Health Institute, Duke University, 9 Circuit Drive, Durham, NC 27708, USA.
authors.forename: Junfeng
authors.initials: J
authors.lastname: Zhang
authors.affiliation: Environmental and Occupational Health Sciences Institute (EOHSI), Rutgers University, 170 Frelinghuysen Road, Piscataway, NJ 08854, USA ; Department of Environmental and Occupational Medicine, Robert Wood Johnson Medical School, Rutgers University, 170 Frelinghuysen Road, Piscataway, NJ 08854, USA ; Department of Chemical and Biochemical Engineering, Rutgers University, 98 Brett Road, Piscataway, NJ 08854, USA.
authors.forename: Panos
authors.initials: P
authors.lastname: Georgopoulos
keywords: Monte Carlo; adsorption; agglomeration; lipid vesicles; nanoparticles; surfactant; surfactant proteins