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变形诱导的度-度竞争控制了弹性聚合物纳米粒子的细胞透:分子热力学-动力学模拟
Xianyu Song1,2, Ruipeng Lai1, Hongchao Liu1
1Key Laboratory of Water Environment Evolution and Pollution Control in Three Gorges Reservoir, School of Environmental and Chemical Engineering, Chongqing Three Gorges University, Chongqing 404020, China.
Biomacromolecules
|November 23, 2025
概括
聚合物纳米粒子 (NP) 的机械弹性影响它们与细胞膜的相互作用. 较硬的NP由于不同的热力学和动态行为,比较软的NP更深入和更快地穿透膜.
科学领域:
- 生物物理学的生物物理.
- 材料科学 材料科学 材料科学
- 纳米技术纳米技术
背景情况:
- 聚合物纳米粒子 (NP) 的机械弹性对于生物膜相互作用至关重要.
- 控制NP膜透的基本热力学和动态机制尚未完全理解.
研究的目的:
- 阐明弹性调节的NP透到生物膜中的机制.
- 为NP-膜相互作用建立一个统一的热力学-动态框架.
主要方法:
- 开发了一个分子热力学-动力学 (MTD) 框架.
- 综合粗粒度分子动力学,雨采样,温和元动力学和过渡状态理论.
- 利用传输电子显微镜 (TEM) 和原子力显微镜 (AFM) 进行实验验证.
主要成果:
- NP变形性决定了影响自由能量景观和转移的和平衡.
- 柔软的NP (<100kPa) 显示由于力驱动的吸引力和湿而阻碍透.
- 硬的NP (>1 MPa) 通过来驱动的膜包裹表现出更快,更深的转位.
- 中间NP显示了一个温度依赖的和交叉.
结论:
- 建立了NP-膜相互作用的统一热力学-动态范式.
- 证明NP弹性显著影响透深度和动态.
- 这些发现指导了纳米载体的合理设计,以改善膜相互作用.
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