Transport of nanoparticles across pulmonary surfactant monolayer: a molecular dynamics study

2017 ◽  
Vol 19 (27) ◽  
pp. 17568-17576 ◽  
Author(s):  
Yan Xu ◽  
Li Deng ◽  
Hao Ren ◽  
Xianren Zhang ◽  
Fang Huang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Target Cell ◽  
Pulmonary Surfactant ◽  
Cell Membranes ◽  
Dynamics Simulations

Three types of nanoparticles, including hydrophobic nanoparticles, hydrophilic nanoparticles, and hydrophilic nanoparticles coated with lipids, were found by our molecular dynamics simulations to be transported across the pulmonary surfactant monolayer, but via different pathways, which affect their subsequent interactions with target cell membranes.

The role of nanoparticle shape in translocation across the pulmonary surfactant layer revealed by molecular dynamics simulations

2018 ◽  
Vol 5 (8) ◽  
pp. 1921-1932 ◽  
Author(s):  
Zhen Luo ◽  
Shixin Li ◽  
Yan Xu ◽  
Zengshuai Yan ◽  
Fang Huang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Pulmonary Surfactant ◽  
Dominant Role ◽  
Nanoparticle Shape ◽  
Dynamics Simulations

We report using molecular dynamics simulations that the shape plays a dominant role in inhaled nanoparticle translocation through the pulmonary surfactant layer.

Role of Lipid Coating in the Transport of Nanodroplets across the Pulmonary Surfactant Layer Revealed by Molecular Dynamics Simulations

Langmuir ◽  
2018 ◽  
Vol 34 (30) ◽  
pp. 9054-9063 ◽  
Author(s):  
Yan Xu ◽  
Shixin Li ◽  
Zhen Luo ◽  
Hao Ren ◽  
Xianren Zhang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Pulmonary Surfactant ◽  
Dynamics Simulations

Promote potential applications of nanoparticles as respiratory drug carrier: insights from molecular dynamics simulations

Nanoscale ◽  
2014 ◽  
Vol 6 (5) ◽  
pp. 2759-2767 ◽  
Author(s):  
Xubo Lin ◽  
Tingting Bai ◽  
Yi Y. Zuo ◽  
Ning Gu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Pulmonary Surfactant ◽  
Drug Carrier ◽  
Potential Applications ◽  
Dynamics Simulations ◽  
Carrier Systems ◽  
Drug Carrier Systems

Understanding the interactions between nanoparticles and pulmonary surfactant can help promote the nanoparticle-based respiratory drug carrier systems.

scholarly journals From dioxin to dioxin congeners: understanding the differences in hydrophobic aggregation in water and absorption into lipid membranes by means of atomistic simulations

2016 ◽  
Vol 18 (26) ◽  
pp. 17731-17739 ◽  
Author(s):  
Mosé Casalegno ◽  
Guido Raos ◽  
Guido Sello
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Lipid Membranes ◽  
Cell Membranes ◽  
Atomistic Simulations ◽  
Dynamics Simulations ◽  
Hydrophobic Aggregation

Molecular dynamics simulations indicate that dioxin likely accumulates in cell membranes more than its congeners (anthracene, tetrahydrodioxin, 3,3′,5,5′-tetrachlorobiphenyl, and 1,2-dihydroxytetrahydrodibenzo-p-dioxin).

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