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肺表面活性剂是纳米颗粒经呼吸途径进入人体的初始生物屏障,纳米颗粒与肺表面活性剂的相互作用直接决定纳米颗粒潜在的诊疗应用和毒性.虽然已有很多研究致力于优化纳米颗粒的理化性质以提高其输运和靶向特性,但是纳米颗粒的形状效应对其与肺表面活性剂相互作用的影响仍鲜有报道.本文运用粗粒度分子动力学的方法研究了纳米颗粒的形状效应对其与一种模型肺表面活性剂——DPPC磷脂单分子层膜的作用的影响.研究结果表明,吸气过程中(磷脂单分子层膜扩张过程),形状效应基本可以忽略;呼气过程中(磷脂单分子层膜压缩过程),不同形状的纳米颗粒表现出不同的跨膜能力对膜的结构扰动亦有所不同,其中棒状纳米颗粒具有最强的跨膜能力,同时对膜的结构扰动也最小.该研究结果对促进纳米颗粒的呼吸诊疗应用具有积极的作用.
Pulmonary surfactant is the initial biological barrier for the nanoparticles to enter the respiratory tract and the interaction between nanoparticles and pulmonary surfactant directly determines the potential therapeutic application and toxicity of nanoparticles.Although many studies have been devoted to optimizing the physical and chemical properties of nanoparticles However, the effect of nanoparticle shape effect on the interaction with pulmonary surfactant is still rarely reported.In this paper, the effect of nanoparticle shape-effect is studied by means of coarse-grained molecular dynamics Which is related to the effect of a model pulmonary surfactant - DPPC phospholipid monolayer.The results show that during the inspiratory process (the process of phospholipid monolayer membrane expansion), the shape effect can be neglected basically. During expiration (Phospholipid monolayer film compression process), different shapes of nanoparticles showed different transmembrane capabilities of the membrane structure perturbation is also different, in which rod-shaped nanoparticles have the strongest transmembrane capacity, while the membrane structure disturbance Also the smallest.The results of this study have a positive effect on promoting the application of respiratory diagnosis and treatment of nanoparticles.