scholarly journals The impact of cigarette/e-cigarette vapour on simulated pulmonary surfactant monolayers under physiologically relevant conditions

2017 ◽  
Vol 49 (7) ◽  
pp. 654-665 ◽  
Author(s):  
Michael J. Davies ◽  
Jason W. Birkett ◽  
Mateusz Kotwa ◽  
Lauren Tomlinson ◽  
Rezene Woldetinsae
2017 ◽  
Vol 49 (9) ◽  
pp. 864-872
Author(s):  
Michael J. Davies ◽  
Zoe Taylor ◽  
Andrew G. Leach ◽  
James Ren ◽  
Paul Gibbons

2019 ◽  
Vol 20 (13) ◽  
pp. 3281 ◽  
Author(s):  
Kai Yue ◽  
Xiaochen Sun ◽  
Jue Tang ◽  
Yiang Wei ◽  
Xinxin Zhang

A good understanding of the mechanism of interaction between inhaled pollutant nanoparticles (NPs) and the pulmonary surfactant monolayer is useful to study the impact of fine particulate matter on human health. In this work, we established coarse-grained models of four representative NPs with different hydrophilicity properties in the air (i.e., CaSO4, C, SiO2, and C6H14O2 NPs) and the pulmonary surfactant monolayer. Molecular dynamic simulations of the interaction during exhalation and inhalation breathing states were performed. The effects of NP hydrophilicity levels, NP structural properties, and cholesterol content in the monolayer on the behaviors of NP embedment or the transmembrane were analyzed by calculating the changes in potential energy, NP displacement, monolayer orderliness, and surface tension. Results showed that NPs can inhibit the ability of the monolayer to adjust surface tension. For all breathing states, the hydrophobic C NP cannot translocate across the monolayer and had the greatest influence on the structural properties of the monolayer, whereas the strongly hydrophilic SiO2 and C6H14O2 NPs can cross the monolayer with little impact. The semi-hydrophilic CaSO4 NP can penetrate the monolayer only during the inhalation breathing state. The hydrophilic flaky NP shows the best penetration ability, followed by the rod-shaped NP and spherical NP in turn. An increase in cholesterol content of the monolayer led to improved orderliness and decreased fluidity of the membrane system due to enhanced intermolecular forces. Consequently, difficulty in crossing the monolayer increased for the NPs.


2016 ◽  
Vol 18 (28) ◽  
pp. 18923-18933 ◽  
Author(s):  
Tongtao Yue ◽  
Yan Xu ◽  
Shixin Li ◽  
Xianren Zhang ◽  
Fang Huang

Our MD simulations demonstrate that the aggregation of carbon nanospheres in PSM is in fact size-dependent and mediated by lipid extractions.


2007 ◽  
Vol 93 (12) ◽  
pp. 4237-4243 ◽  
Author(s):  
Florence Lhert ◽  
Wenfei Yan ◽  
Samares C. Biswas ◽  
Stephen B. Hall

2013 ◽  
Vol 446 (1-2) ◽  
pp. 34-45 ◽  
Author(s):  
Michael J. Davies ◽  
Thomas D. Kerry ◽  
Linda Seton ◽  
Mark F. Murphy ◽  
Paul Gibbons ◽  
...  

2003 ◽  
Vol 84 (6) ◽  
pp. 3792-3806 ◽  
Author(s):  
William R. Schief ◽  
Meher Antia ◽  
Bohdana M. Discher ◽  
Stephen B. Hall ◽  
Viola Vogel

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