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Computational Modelling of the Interaction of Gold Nanoparticle with Lung Surfactant Monolayer

Published online by Cambridge University Press:  04 February 2019

Sheikh I. Hossain ,
Neha S. Gandhi ,
Zak E. Hughes  and
Suvash C. Saha
Sheikh I. Hossain
Affiliation:
School of Mechanical and Mechatronic Engineering, University of Technology Sydney, 81 Broadway, Ultimo NSW2007, Australia
Neha S. Gandhi
Affiliation:
School of Mathematical Sciences, Queensland University of Technology, 2 George Street, GPO Box 2434, Brisbane QLD4001
Zak E. Hughes
Affiliation:
School of Chemistry and Biosciences, The University of Bradford, Bradford, BD7 1DP, UK
Suvash C. Saha*
Affiliation:
School of Mechanical and Mechatronic Engineering, University of Technology Sydney, 81 Broadway, Ultimo NSW2007, Australia
*
*(Email: suvash.saha@uts.edu.au)
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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, coarse-grained 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.

Keywords

Aubiomedicaldiffusionmembranemodeling
Type
Articles
Information
MRS Advances , Volume 4 , Issue 20: Biomaterials and Soft Materials , 2019 , pp. 1177 - 1185
Copyright
Copyright © Materials Research Society 2019 

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References

REFERENCES

Veldhuizen, R., Nag, K., Orgeig, S., Possmayer, F., The role of lipids in pulmonary surfactant, Biochimica et Biophysica Acta (BBA) - Molecular Basis of Disease, 1408 (1998) 90-108.CrossRefGoogle ScholarPubMed
Rugonyi, S., Biswas, S.C., Hall, S.B., The biophysical function of pulmonary surfactant, Respiratory Physiology & Neurobiology, 163 (2008) 244-255.CrossRefGoogle ScholarPubMed
Zhang, H., Wang, Y.E., Fan, Q., Zuo, Y.Y., On the Low Surface Tension of Lung Surfactant, Langmuir, 27 (2011) 8351-8358.CrossRefGoogle ScholarPubMed
Lopez-Rodriguez, E., Perez-Gil, J., Structure-function relationships in pulmonary surfactant membranes: from biophysics to therapy, Biochimica et Biophysica Acta (BBA) - Biomembranes, 1838 (2014) 1568-1585.CrossRefGoogle Scholar
Fathi-Azarbayjani, A., Jouyban, A., Surface tension in human pathophysiology and its application as a medical diagnostic tool, BioImpacts : BI, 5 (2015) 29-44.CrossRefGoogle ScholarPubMed
Schürch, S., Green, F.H.Y., Bachofen, H., Formation and structure of surface films: captive bubble surfactometry, Biochimica et Biophysica Acta (BBA) - Molecular Basis of Disease, 1408 (1998) 180-202.CrossRefGoogle ScholarPubMed
Baoukina, S., Monticelli, L., Marrink, S.J., Tieleman, D.P., Pressure-area isotherm of a lipid monolayer from molecular dynamics simulations, Langmuir, 23 (2007) 12617-12623.CrossRefGoogle ScholarPubMed
Ponec, V., Physical chemistry of surfaces, fifth edition. Adamson, A. W.. John Wiley & Sons, Chichester, 1990. IX + 777 pp., £47.50. ISBN 0-471-61019-4, Recueil des Travaux Chimiques des Pays-Bas, 110 (1991) 137-137.Google Scholar
Gaines, G.L., Insoluble monolayers at liquid-gas interfaces, Interscience Publishers, Place Published, 1966.Google Scholar
Li, N., Hao, M., Phalen, R.F., Hinds, W.C., Nel, A.E., Particulate air pollutants and asthma. A paradigm for the role of oxidative stress in PM-induced adverse health effects, Clinical immunology (Orlando, Fla.), 109 (2003) 250-265.CrossRefGoogle ScholarPubMed
Anseth, J.W., Goffin, A.J., Fuller, G.G., Ghio, A.J., Kao, P.N., Upadhyay, D., Lung Surfactant Gelation Induced by Epithelial Cells Exposed to Air Pollution or Oxidative Stress, American Journal of Respiratory Cell and Molecular Biology, 33 (2005) 161-168.CrossRefGoogle ScholarPubMed
Sioutas, C., Delfino, R.J., Singh, M., Exposure Assessment for Atmospheric Ultrafine Particles (UFPs) and Implications in Epidemiologic Research, Environmental Health Perspectives, 113 (2005) 947-955.CrossRefGoogle ScholarPubMed
Pope, I.C., Burnett, R.T., Thun, M.J., et al. , Lung cancer, cardiopulmonary mortality, and long-term exposure to fine particulate air pollution, JAMA, 287 (2002) 1132-1141.CrossRefGoogle ScholarPubMed
Sridhar, D.B., Gupta, R., Rai, B., Effect of surface coverage and chemistry on self-assembly of monolayer protected gold nanoparticles: a molecular dynamics simulation study, Physical Chemistry Chemical Physics, 20 (2018) 25883-25891.CrossRefGoogle ScholarPubMed
Rossi, G., Monticelli, L., Gold nanoparticles in model biological membranes: A computational perspective, Biochimica et Biophysica Acta (BBA) - Biomembranes, 1858 (2016) 2380-2389.CrossRefGoogle ScholarPubMed
Zhang, K., Liu, L., Bai, T., Guo, Z., Interaction Between Hydrophobic Au Nanoparticles and Pulmonary Surfactant (DPPC) Monolayers, Journal of biomedical nanotechnology, 14 (2018) 526-535.CrossRefGoogle ScholarPubMed
Bakshi, M.S., Zhao, L., Smith, R., Possmayer, F., Petersen, N.O., Metal Nanoparticle Pollutants Interfere with Pulmonary Surfactant Function In Vitro, Biophysical Journal, 94 (2008) 855-868.CrossRefGoogle ScholarPubMed
El-Sayed, I.H., Huang, X., El-Sayed, M.A., Surface Plasmon Resonance Scattering and Absorption of anti-EGFR Antibody Conjugated Gold Nanoparticles in Cancer Diagnostics: Applications in Oral Cancer, Nano Letters, 5 (2005) 829-834.CrossRefGoogle ScholarPubMed
Barnoud, J., Urbini, L., Monticelli, L., C60 fullerene promotes lung monolayer collapse, Journal of The Royal Society Interface, 12 (2015).Google Scholar
Yue, T., Xu, Y., Li, S., Luo, Z., Zhang, X., Huang, F., Surface patterning of single-walled carbon nanotubes enhances their perturbation on a pulmonary surfactant monolayer: frustrated translocation and bilayer vesiculation, RSC Advances, 7 (2017) 20851-20864.CrossRefGoogle Scholar
Valle, R.P., Wu, T., Zuo, Y.Y., Biophysical Influence of Airborne Carbon Nanomaterials on Natural Pulmonary Surfactant, ACS Nano, 9 (2015) 5413-5421.CrossRefGoogle ScholarPubMed
Hu, Q., Jiao, B., Shi, X., Valle, R.P., Zuo, Y.Y., Hu, G., Effects of graphene oxide nanosheets on the ultrastructure and biophysical properties of the pulmonary surfactant film, Nanoscale, 7 (2015) 18025-18029.CrossRefGoogle ScholarPubMed
Wassenaar, T.A., Ingolfsson, H.I., Bockmann, R.A., Tieleman, D.P., Marrink, S.J., Computational Lipidomics with insane: A Versatile Tool for Generating Custom Membranes for Molecular Simulations, J Chem Theory Comput, 11 (2015) 2144-2155.CrossRefGoogle ScholarPubMed
Estrada-Lopez, E.D., Murce, E., Franca, M.P.P., Pimentel, A.S., Prednisolone adsorption on lung surfactant models: insights on the formation of nanoaggregates, monolayer collapse and prednisolone spreading, RSC Advances, 7 (2017) 5272-5281.CrossRefGoogle Scholar
Abraham, M.J., Murtola, T., Schulz, R., Páll, S., Smith, J.C., Hess, B., Lindahl, E., GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers, SoftwareX, 1–2 (2015) 19-25.CrossRefGoogle Scholar
[cited 15-12 - 2016]; Available from:http://cgmartini.nl/index.php.Google Scholar
Song, B., Yuan, H., Jameson, C.J., Murad, S., Role of surface ligands in nanoparticle permeation through a model membrane: a coarse-grained molecular dynamics simulations study, Molecular Physics, 110 (2012) 2181-2195.CrossRefGoogle Scholar
Gezelter, J. D.; Kuang, S.; Marr, J.; Stocker, K.; Li, C.; Vardeman, C. F.; Lin, T.; Fennell, C. J.; Sun, X.; Daily, K.; Zheng, Y. OpenMD, an Open Source Engine for Molecular Dynamics; University of Notre Dame: Notre Dame, IN. http://openmd.org/ (accessed April 21, 2017).Google Scholar
Lopez-Acevedo, O., Akola, J., Whetten, R.L., Grönbeck, H., Häkkinen, H., Structure and Bonding in the Ubiquitous Icosahedral Metallic Gold Cluster Au144(SR)60, The Journal of Physical Chemistry C, 113 (2009) 5035-5038.CrossRefGoogle Scholar
Salassi, S., Simonelli, F., Bochicchio, D., Ferrando, R., Rossi, G., Au Nanoparticles in Lipid Bilayers: A Comparison between Atomistic and Coarse-Grained Models, The Journal of Physical Chemistry C, (2017).CrossRefGoogle Scholar
Bussi, G., Donadio, D., Parrinello, M., Canonical sampling through velocity rescaling, J Chem Phys, 126 (2007) 014101.CrossRefGoogle ScholarPubMed
Molecular dynamics with coupling to an external bath, The Journal of Chemical Physics, 81 (1984) 3684-3690.CrossRefGoogle Scholar
Humphrey, W., Dalke, A., Schulten, K., VMD: Visual molecular dynamics, Journal of Molecular Graphics, 14 (1996) 33-38.CrossRefGoogle ScholarPubMed