Nature of bilayer lipids affects membranes deformation and pore resealing during nanoparticle penetration

IF 8.1 1区 工程技术 Q1 MATERIALS SCIENCE, BIOMATERIALS
Yousef Nademi , Tian Tang , Hasan Uludağ
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引用次数: 2

Abstract

Interactions of nanoparticles (NPs) with lipid membranes have enormous biological implications especially for gene delivery applications. In this work, using all-atom steered- and molecular dynamics simulations, we investigated deformation of lipid membranes and pore closure during a NP penetration process. Three membrane bilayer models built from 2-oleoyl-1-palmitoyl-sn-glycero-3-phosphocholine (POPC), dipalmitoylphosphatidylcholine (DPPC) and dilauroylphosphatidylcholine (DLPC), and a NP formed by 2 short interfering RNA (siRNA) and 6 polyethylenimine (PEI) molecules were used. Our results showed that different membrane lipids could lead to differences in pore formation (symmetric vs. asymmetric), and could undergo different levels of pore-mediated flip-flops during the closure. DLPC showed the largest number of flip-flops among the three lipid membranes. In addition, introduction of hydrophobic linoleic acid (LA) substitution onto the PEIs was found to facilitate pore formation, since the long LA tails could insert themselves into the hydrophobic region of the membrane where the lipid tails were less aligned. Compared with DPPC, POPC and DLPC membranes had less alignment of lipid tails in the bilayer, which promoted the insertion of LA tails and hence NP entry into the cell. Our observations provide valuable insight into the membrane deformations and pore dynamics during NP penetration and will be important for the design of NP carriers for effective gene delivery.

在纳米粒子渗透过程中,双层脂质的性质影响了膜的变形和孔的再密封
纳米颗粒(NPs)与脂质膜的相互作用具有巨大的生物学意义,特别是在基因传递应用中。在这项工作中,我们使用全原子操纵和分子动力学模拟,研究了NP渗透过程中脂质膜的变形和孔隙关闭。采用2-油酰-1-棕榈酰- n-甘油-3-磷脂胆碱(POPC)、二棕榈酰磷脂酰胆碱(DPPC)和二酰磷脂酰胆碱(DLPC)三种膜双层模型,以及2个短干扰RNA (siRNA)和6个聚乙烯亚胺(PEI)分子组成的NP模型。我们的研究结果表明,不同的膜脂会导致不同的孔形成(对称与不对称),并且在关闭过程中可能经历不同程度的孔介导的“人字拖”。在三种脂质膜中,DLPC表现出最多的翻转现象。此外,在PEIs上引入疏水亚油酸(LA)取代可以促进孔的形成,因为LA长尾可以插入膜的疏水区域,在那里脂质尾部排列较少。与DPPC相比,POPC和DLPC膜在双分子层中的脂质尾部排列较少,这促进了LA尾部的插入,从而促进了NP进入细胞。我们的观察结果为NP渗透过程中的膜变形和孔隙动力学提供了有价值的见解,这对设计有效基因传递的NP载体非常重要。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
CiteScore
12.60
自引率
0.00%
发文量
28
审稿时长
3.3 months
期刊介绍: Materials Today is a community committed to fostering the creation and sharing of knowledge and experience in materials science. With the support of Elsevier, this community publishes high-impact peer-reviewed journals, organizes academic conferences, and conducts educational webinars, among other initiatives. It serves as a hub for advancing materials science and facilitating collaboration within the scientific community.
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