Computational Modelling of the Interaction of Gold Nanoparticle with Lung Surfactant Monolayer
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MRS Advances © 2019 Materials Research Society DOI: 10.1557/adv.2019.93
Computational Modelling of the Interaction of Gold Nanoparticle with Lung Surfactant Monolayer Sheikh I. Hossain1, Neha S. Gandhi2, Zak E. Hughes3, Suvash C. Saha1 1
School of Mechanical and Mechatronic Engineering, University of Technology Sydney, 81 Broadway, Ultimo NSW 2007, Australia
2
School of Mathematical Sciences, Queensland University of Technology, 2 George Street, GPO Box 2434, Brisbane QLD 4001,
3
School of Chemistry and Biosciences, The University of Bradford, Bradford, BD7 1DP, UK
ABSTRACT
Lung surfactant (LS), a thin layer of phospholipids and proteins inside the alveolus of the lung is the first biological barrier to inhaled nanoparticles (NPs). LS stabilizes and protects the alveolus during its continuous compression and expansion by fine-tuning the surface tension at the air-water interface. Previous modelling studies have reported the biophysical function of LS monolayer and its role, but many open questions regarding the consequences and interactions of airborne nano-sized particles with LS monolayer remain. In spite of gold nanoparticles (AuNPs) having a paramount role in biomedical applications, the understanding of the interactions between bare AuNPs (as pollutants) and LS monolayer components still unresolved. Continuous inhalation of NPs increases the possibility of lung ageing, reducing the normal lung functioning and promoting lung malfunction, and may induce serious lung diseases such as asthma, lung cancer, acute respiratory distress syndrome, and more. Different medical studies have shown that AuNPs can disrupt the routine lung functions of gold miners and promote respiratory diseases. In this work, coarsegrained molecular dynamics simulations are performed to gain an understanding of the interactions between bare AuNPs and LS monolayer components at the nanoscale. Different surface tensions of the monolayer are used to mimic the biological process of breathing (inhalation and exhalation). It is found that the NP affects the structure and packing of the lipids by disordering lipid tails. Overall, the analysed results suggest that bare AuNPs impede the normal biophysical function of the lung, a finding that has beneficial consequences to the potential development of treatments of various respiratory diseases.
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INTRODUCTION LS is a thin liquid layer inside the alveolus that forms a stable monolayer at the air-water interface and is composed of phospholipids, cholesterol, and proteins. The importance of LS is its function to reduce surface tension during expiration and prevent the lung from collapsing. Secondly, LS also acts as a first biological barrier for all the inhaled pathogens and pollutants. Lipids, cholesterol (neutral lipids), and proteins are the main compone
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