The aggregation of carbon nanotubes deteriorates their adverse effects on pulmonary surfactant monolayer
The aggregation of carbon nanotubes deteriorates their adverse effects on pulmonary surfactant monolayer
复制标题
碳纳米管的聚集加剧了其对肺表面活性剂单层的不利影响
DOI：
10.1016/j.nantod.2022.101525
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发表时间：
2022
期刊：
影响因子：
--
通讯作者：
Guoqing Hu
中科院分区：
文献类型：
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作者：
Zhen Luo;Xuan Bai;Tongtao Yue;Guoqing Hu
碳纳米管的广泛应用增加了人们对碳纳米管暴露于人体，特别是通过呼吸道暴露于人体的潜在风险的关注。碳纳米管的小尺寸使它们能够存款到肺深部，在那里它们不可避免地与肺表面活性物质（PS）单层相互作用，从而可以深刻地影响PS单层的生物物理功能。利用粗粒化分子动力学模拟，我们研究了碳纳米管的聚集状态如何调节不同尺寸的碳纳米管与PS单分子层在空气-水界面上的相互作用。与分散的碳纳米管相比，聚集的碳纳米管在压缩和膨胀阶段都对PS单分子膜的结构产生了更严重的扰动。聚集的碳纳米管的直径、初始攻角和构型的不规则性的增加增强了碳纳米管周围的脂质扰动，并促进了在高表面张力下PS单层上的孔形成。因此，聚集的CNT倾向于抑制PS单层的生物物理功能，并且比分散的CNT更难从单层中清除。我们的研究结果表明，聚集的碳纳米管，而不是分散的，应给予更多的权重，在评估吸入碳纳米管引起的肺部纳米毒性。·空气中碳纳米管（CNTs）的聚集增强了其对肺表面活性物质（PS）单层的干扰。·聚集的CNT的直径、初始攻角和形态严重影响与PS单层的相互作用。·与分散的CNT相比，聚集的CNT更严重地抑制PS单层的生物物理功能。·在评估其肺部纳米毒性时应考虑CNT或其他纳米材料的聚集。
The wide use of carbon nanotubes (CNTs) increases the concern of their potential risks upon human exposure, especially through respiratory tract. The small size of CNTs allows them to deposit into the deep lung where they inevitably interact with pulmonary surfactant (PS) monolayer and thus could profoundly influence the biophysical function of PS monolayer. Using coarse-grained molecular dynamics simulations, we studied how the aggregation state of CNTs regulated the interactions of different sized CNTs with the PS monolayer at the air-water interface. Compared with the dispersed CNTs, the aggregated CNTs induced more severe structure disturbance of the PS monolayer at both compression and expansion stages. The increased diameter, initial attack angle, and configuration irregularity of the aggregated CNTs enhanced the lipid disturbance around the CNTs and promoted the pore formation on the PS monolayer under a high surface tension. As a result, the aggregated CNTs tended to inhibit the biophysical function of the PS monolayer and were more difficult to be cleared from the monolayer than the dispersed CNTs. Our results suggest that the aggregated CNTs, rather than the dispersed ones, should be given more weight in assessing the pneumonic nanotoxicity caused by the inhaled CNTs. • Aggregation of airborne carbon nanotubes (CNTs) intensified their disturbance on pulmonary surfactant (PS) monolayers. • Diameter, initial attack angle, and morphology of aggregated CNTs heavily influenced interactions with PS monolayers. • Aggregated CNTs inhibited the biophysical function of PS monolayers more severely compared to dispersed CNTs. • Aggregation of CNTs or other nanomaterials should be considered in evaluating their pneumonic nanotoxicity.