Simulation on the Interaction of Lipoparticle with Single Giant Vesicle

Su Qun; Sun Min-na; Zhang Jin-jun; Pan Jun-xing; Guo Yu-qi; Zhang Hui-hui; Wang Bao-feng

doi:10.11777/j.issn1000-3304.2016.16024

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Simulation on the Interaction of Lipoparticle with Single Giant Vesicle

Research Article | 更新时间：2021-03-19

- Simulation on the Interaction of Lipoparticle with Single Giant Vesicle
- Acta Polymerica Sinica Issue 10, Pages: 1455-1464(2016)
- 作者机构：
  
  1.山西师范大学化学与材料科学学院临汾 041004
  2.山西师范大学现代文理学院临汾 041004
  3.山西师范大学物理与信息工程学院临汾 041004
- 作者简介：
- 基金信息：
- DOI：10.11777/j.issn1000-3304.2016.16024
  CLC：
- Published：2016-10，
  
  Received：20 January 2016，
  
  Revised：20 January 2016，
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Su Qun, Sun Min-na, Zhang Jin-jun, Pan Jun-xing, Guo Yu-qi, Zhang Hui-hui, Wang Bao-feng. Simulation on the Interaction of Lipoparticle with Single Giant Vesicle. [J]. Acta Polymerica Sinica (10):1455-1464(2016)
DOI：

Su Qun, Sun Min-na, Zhang Jin-jun, Pan Jun-xing, Guo Yu-qi, Zhang Hui-hui, Wang Bao-feng. Simulation on the Interaction of Lipoparticle with Single Giant Vesicle. [J]. Acta Polymerica Sinica (10):1455-1464(2016) DOI： 10.11777/j.issn1000-3304.2016.16024.

摘要

采用自洽平均场方法模拟了脂质体-纳米粒与巨型囊泡的相互作用.在初始状态，脂质体-纳米粒与巨型囊泡之间有一定距离，随着距离的变化，脂质体-纳米粒与囊泡发生相互作用，最终脂质体小囊泡和巨型囊泡会融合并使粒子释放.随着囊泡的磷脂分子组分的变化，体系呈现出丰富的结构变化.磷脂头体积分数较大时体系形成融合通道（stalk相）或半融合隔膜（HD相）以及融合小孔；磷脂头体积分数较小时体系出现囊泡的渗漏形成亲水聚集体（棒状H

Ⅱ

相或IMI相）和融合小孔.改变了所包裹的纳米粒半径，发现对体系的结构影响不大.我们定量的计算了各个体系的自由能，从自由能分析可知，随着距离的减小，脂质体-纳米粒与巨型囊泡相互作用的过程是一个自发过程.在相互作用过程中，新结构的形成需要克服能量壁垒，且能量壁垒随着磷脂头体积分数和纳米粒半径的增大都会有一定程度的增加.

Abstract

We mainly investigate the interaction of a lipoparticle with a giant vesicle in solvent by using the self-consistent field theory method.A certain distance of the lipoparticle and the giant vesicle is set as the initial state.As the lipoparticle is close to the giant vesicle

the lipoparticle will interact with the giant vesicle.With decreasing the distance between the lipoparticle and giant vesicle

the interaction with each other increases gradually.We discuss the influence of hydrophilic and radius of the lipoparticle on the membrane structure of the giant vesicle

respectively.When the hydrophilic of lipoparticle is changed

a lot of interesting structural transformation can be obtained during the transmembrane process.It is mainly stalk phase and hemifusion diaphgram (HD phase) when the hydrophilic fraction (

) is 0.35; and it is inverted micellar intermediates (IMI phase) when

=0.3.When

=0.25

it can form hydrophilic aggregates of rod

which is called rod HII phase.It occurs multiple scattered IMI phase when

=0.2.However

there is a little effect on the membrane structure of giant vesicle when the radius of inclusion particle of lipoparticle is changed.In addition

we calculate the free energy of the system quantitatively.The system free energy decreases with the decrease of the distance between the lipoparticle and the giant vesicle.It is shown that the interaction between the lipoparticle and giant vesicle is a spontaneous process with the decrease of the distance.It is important to overcome an energy barrier for the new morphology in the interaction.The energy barrier will increase if the hydrophilic fraction of the lipoparticle increases.When the phospholipid head volume fraction increases

it reduces the spontaneous curvature of membrane.The system free energy also increases with the increase of the radius of the inclusion particle.

关键词

脂质体-纳米粒囊泡自洽场理论自组装

Keywords

LipoparticleGiant vesicleSelf-consistent fieldSelf-assembly

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State Key Laboratory of Chemical Resource Engineering, Beijing Advanced Innovation Center for Soft Matter Science and Engineering, Beijing University of Chemical Technology

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Shanghai Key Laboratory of Advanced Polymeric Materials, School of Materials Science and Engineering, East China University of Science and Technology

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