摘要
类脂化合物膜的主要阶段转变温度，为它象可控制的药版本那样的生物医学的应用重要，能被包含恐水病的 nanoparticles 进膜调整。然而，在包含的 nanoparticles 的表面性质和类脂化合物膜的主要阶段转变温度之间的准确关系是远非清楚的。在现在的工作，我们执行了纹理粗糙的分子的动力学模拟遇见这结束。结果证明 nanoparticles 和 nanoparticles 上的修改表面的分子的密度的表面粗糙为规定负责。增加 nanoparticles 的表面粗糙增加类脂化合物膜的主要阶段转变温度，而它能经由在 nanoparticles 上增加修改表面的分子的密度以一个非线性的方法被减少。结果可以为理解最近的试验性的研究提供卓见并且由调整类脂化合物泡的主要阶段转变温度在可控制的药版本支持 nanoparticles 的应用。
The main phase transition temperature of a lipid membrane, which is vital for its biomedical applications such as controllable drug release, can be regulated by encapsulating hydrophobic nanoparticles into the membrane. However, the exact relationship between surface properties of the encapsulating nanoparticles and the main phase transition temperature of a lipid membrane is far from clear. In the present work we performed coarse-grained molecular dynamics simulations to meet this end. The results show the surface roughness of nanoparticles and the density of surface-modifying molecules on the nanoparticles are responsible for the regulation. Increasing the surface roughness of the nanoparticles increases the main phase transition temperature of the lipid membrane, whereas it can be decreased in a nonlinear way via increasing the density of surface-modifying molecules on the nanoparticles. The results may provide insights for understanding recent experimental studies and promote the applications of nanoparticles in controllable drug release by regulating the main phase transition temperature of lipid vesicles.
