Modes of adhesion of two Janus nanoparticles on the outer or inner side of lipid vesicles
Modes of adhesion of two Janus nanoparticles on the outer or inner side of lipid vesicles
复制标题
两个Janus纳米颗粒在脂质囊泡外侧或内侧的粘附模式
DOI：
10.1039/d2sm00306f
复制
发表时间：
2022
期刊：
影响因子：
3.4
通讯作者：
Laradji, Mohamed
中科院分区：
文献类型：
--
作者：
Zhu, Yu;Sharma, Abash;Spangler, Eric J.;Laradji, Mohamed
利用分子动力学模拟的粗粒度模型，结合加权直方图分析方法，两个球形Janus纳米粒子（NP）的粘附模式的脂质囊泡的外侧或内侧进行了探索。特别是，面积分数的影响，J，吸引力与脂质头基团，粘附强度和大小的纳米粒子上的粘附模式的相互作用的纳米粒子进行了研究。发现NP在粘附到囊泡的外侧时表现出两种主要的粘附模式。在第一模式中，其发生在相对低的J值处，NP彼此分开。在第二种模式中，其发生在较高的J值下，NP形成面内二聚体。Janus NPs粘附在囊泡的内侧，无论J的值和它们的直径如何，它们总是彼此分开。
Using molecular dynamics simulations of a coarse-grained model, in conjunction with the weighted histogram analysis method, the adhesion modes of two spherical Janus nanoparticles (NPs) on the outer or inner side of lipid vesicles are explored. In particular, the effects of the area fraction, J, of the NPs that interact attractively with lipid head groups, the adhesion strength and the size of the NPs on their adhesion modes are investigated. The NPs are found to exhibit two main modes of adhesion when adhered to the outer side of the vesicle. In the first mode, which occurs at relatively low values of J, the NPs are apart from each other. In the second mode, which occurs at higher values of J, the NPs form an in-plane dimer. Janus NPs, which adhere to the inner side of the vesicle, are always found to be apart from each other, regardless of the value of J and their diameter.