A Review on Investigating the Interactions between Nanoparticles and the Pulmonary Surfactant Monolayer with Coarse-Grained Molecular Dynamics Method

K Tang, X Cui - Langmuir, 2024‏ - ACS Publications
Pulmonary drug delivery has garnered significant attention due to its targeted local lung
action, minimal toxic side effects, and high drug utilization. However, the physicochemical …

[HTML][HTML] Lung surfactant as a biophysical assay for inhalation toxicology

JY Liu, CM Sayes - Current Research in Toxicology, 2023‏ - Elsevier
Lung surfactant (LS) is a mixture of lipids and proteins that forms a thin film at the gas-
exchange surfaces of the alveoli. The components and ultrastructure of LS contribute to its …

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

Y Xu, L Deng, H Ren, X Zhang, F Huang… - Physical Chemistry …, 2017‏ - pubs.rsc.org
Pulmonary nanodrug delivery is an emerging concept, especially for targeted lung cancer
therapy. Once inhaled, the nanoparticles (NPs) acting as drug carriers need to efficiently …

Role of surfactants in pulmonary drug delivery

PP Mehta, V Dhapte-Pawar - Green sustainable process for chemical and …, 2022‏ - Elsevier
In this article, we try to present a summary of the biosurfactant used in the treatment of life-
threatening pulmonary disease. Initially, different pulmonary diseases, pulmonary …

Tension-induced translocation of an ultrashort carbon nanotube through a phospholipid bilayer

Y Guo, M Werner, R Seemann, VA Baulin, JB Fleury - ACS nano, 2018‏ - ACS Publications
Increasing awareness of bioeffects and toxicity of nanomaterials interacting with cells puts in
focus the mechanisms by which nanomaterials can cross lipid membranes. Apart from well …

Tuning the hydrophobicity of a coarse grained model of 1, 2-dipalmitoyl-sn-glycero-3-phosphatidylcholine using the experimental octanol-water partition coefficient

LMP Souza, FR Souza, F Reynaud… - Journal of Molecular …, 2020‏ - Elsevier
The tuning of DPPC coarse grained models was successfully investigated using coarse
grained molecular dynamics simulation and umbrella sampling. The octanol-water partition …

[HTML][HTML] Molecular insights on the interference of simplified lung surfactant models by gold nanoparticle pollutants

SI Hossain, NS Gandhi, ZE Hughes, YT Gu… - Biochimica et Biophysica …, 2019‏ - Elsevier
Inhaled nanoparticles (NPs) are experienced by the first biological barrier inside the
alveolus known as lung surfactant (LS), a surface tension reducing agent, consisting of …

Computational studies of lipid-wrapped gold nanoparticle transport through model lung surfactant monolayers

SI Hossain, NS Gandhi, ZE Hughes… - The Journal of Physical …, 2021‏ - ACS Publications
Colloidal nanoparticles, such as gold nanoparticles (AuNPs), are promising materials for the
delivery of hydrophilic drugs via the pulmonary route. The inhaled nanoparticle drug carriers …

Numerical investigations of translocation characteristics of multiple silica nanoparticles across pulmonary surfactant monolayer

K Tang, W Gao, D Tao, H Ge, X Cui - Powder Technology, 2024‏ - Elsevier
Understanding translocation characteristics of multiple silica nanoparticles (SiNPs) across
pulmonary surfactant (PS) is crucial for their applications in inhaled nanoparticle drugs …

Permeation of beta-defensin-3 encapsulated with polyethylene glycol in lung surfactant models at air-water interface

FR Souza, LMP Souza, AS Pimentel - Colloids and Surfaces B …, 2019‏ - Elsevier
Coarse grained molecular dynamics of the permeation of the peptide human beta-defensin-
3 (HBD3) in two different lung surfactant models (BLES and CUROSURF) at surface tension …