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首页> 外文期刊>Biochimica et biophysica acta. Biomembranes >On the impact of nanotube diameter on biomembrane indentation – Computer simulations study
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On the impact of nanotube diameter on biomembrane indentation – Computer simulations study

机译：基于纳米管直径对生物膜压痕的影响 - 计算机模拟研究

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Abstract The influence of the single-walled carbon nanotubes on the phospholipid bilayer has been studied using steered molecular dynamics (SMD) simulations. The impact of different nanotubes on the phospholipid bilayer structure is discussed as well as the speed of indentation. Additionally, a series of simulations with pulling out of the nanotubes from the membrane were performed. The deflection of the membrane in both nanoindenation and extraction processes is also discussed. The self-sealing ability of membrane during this process is examined. Complete degradation of the bilayer was not observed even for the most invasive nanoindentation process studied. The obtained results show that carbon nanotubes can be regarded as potential drug carriers for targeted therapy. Graphical abstract Display Omitted Highlights ? Computer simulations of phospholipid bilayer indentation with carbon nanotubes were performed. ? Nanotubes of different diameters for different puling velocities were studied. ? Nanotube extraction from phospholipid bilayer was modeled. ? Average force, required work and number of extracted molecules were assessed and discussed. ? Membrane self-sealing process is discussed.
机译：摘要采用转向分子动力学（SMD）模拟研究了单壁碳纳米管对磷脂双层的影响。讨论了不同纳米管对磷脂双层结构的影响以及压痕的速度。另外，通过从膜中拉出纳米管的一系列模拟。还讨论了纳米吲哚和提取过程中膜的挠曲。检查了该过程中膜的自密封能力。即使对于研究的最多侵入性的纳米压扇过程，未观察到双层的完全降解。所得结果表明，碳纳米管可以被视为靶向治疗的潜在药物载体。图形抽象显示省略了亮点？进行了用碳纳米管进行磷脂双层压痕的计算机模拟。还研究了不同直径的纳米管，用于不同的牙线。还磷脂双层的纳米管提取被建模。还评估和讨论平均力，所需的工作和提取分子的数量。还讨论了膜自密封过程。

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