Membrane-Mediated Interactions between Anisotropic Nanoparticles

各向异性纳米颗粒之间膜介导的相互作用

• 批准号: 1931837
• 负责人: Mohamed Laradji
• 金额: $ 30.94万
• 依托单位: University of Memphis
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2020
• 资助国家: 美国
• 起止时间: 2020-01-01 至 2024-12-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1931837&HistoricalAwards=false
• 关键词: Membrane; Mediated; Interactions; between; Anisotropic

NONTECHNICAL SUMMARYNanoparticles have great potential in many biomedical applications including biosensing, diagnostics, gene therapy, drug delivery, magnetic hyperthermia and photothermal therapy. There are, however, also concerns associated with potential environmental and health hazards of many types of nanoparticles. Biomedical applications of nanoparticles and their potential toxicity necessitate their adhesion on a thin envelope encapsulating living cells known as the plasma membrane, and eventually their cellular entry. The plasma membrane, which is mainly composed of lipids, is an important component of all living cells. It is fluid and highly flexible. As a result, the adhesion of nanoparticles leads to deformation of the plasma membrane, which in turn leads to the aggregation of nanoparticles. While there have been studies on the effect of lipid membranes on the aggregation of spherical nanoparticles, the understanding of the effect of lipid membranes on interactions between nanoparticles with complex geometries or surface properties, and their resulting aggregation, remains lacking. This is despite nanoparticles with complex geometries or surface properties having more promising biomedical applications than spherical ones. This project aims at understanding the effect of membranes on interactions between nanoparticles with complex geometries or surface properties. During the course of this research, the principal investigator will train graduate and undergraduate students in various computational approaches, which will prepare them for careers in STEM fields. High school students will also be engaged in some aspects of the research through a summer program run by the Department of Physics and Materials Science at the University of Memphis. Aspects of the research will be integrated is some courses at the undergraduate and graduate levels that are taught by the principal investigator.TECHNICAL SUMMARYThis award supports an investigation of the two-body interaction and self-assembly of anisotropic nanoparticles induced by membrane deformations resulting from nanoparticles’ adhesion on lipid membranes. The research will be carried out through systematic and large-scale molecular dynamics simulations of an efficient coarse-grained model. The efficiency of this approach stems from the treatment of the solvent implicitly, softening the pair-wise interactions between beads, and the treatment of the nanoparticles as hollow tessellated surfaces. Two main types of anisotropic nanoparticles, corresponding to sphero-cylindrical nanoparticles and Janus nanoparticles, will be considered in this research. In the first part of the proposed research, the dimerisation threshold between anisotropic nanoparticles and the modes of dimerisation will be determined systematically as a function of the geometry of the nanoparticles and their surface heterogeneities. The modes of dimerisation of the nanoparticles will be investigated both in the case of planar tensionless lipid membranes and in the case of tensionless cylindrical membranes and closed vesicles, with the nanoparticles adhering either to the inner or outer side of the membrane. In the second part of the research, multi-body effects and self-assembly of the anisotropic nanoparticles will be investigated for varying parameters of the sphero-cylindrical nanoparticles and Janus nanoparticles and for varying values of the adhesion strength. The stability of the self-assemblies will be investigated by free-energy calculations of the results in conjunction with the Helfrich Hamiltonian.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

非技术摘要在许多生物医学应用中具有巨大的潜力，包括生物传感，诊断，基因治疗，药物输送，磁性高温和光热治疗。但是，也存在与许多类型的纳米颗粒的潜在环境和健康危害有关的问题。纳米颗粒及其潜在毒性的生物医学应用必需的粘附在薄膜上，封装了被称为质膜的活细胞，有时甚至是细胞进入。质膜主要由脂质组成，是所有活细胞的重要组成部分。它是流体且高度灵活的。结果，纳米颗粒的粘附导致质膜的变形，进而导致纳米颗粒的聚集。尽管已经进行了有关脂质膜对球形纳米颗粒聚集的影响的研究，但了解脂质机制对具有复杂几何形状或表面特性的纳米颗粒之间相互作用的影响，并且其产生的聚集仍然缺乏。尽管纳米颗粒具有复杂的几何形状或表面特性，其生物医学应用比球形颗粒具有更多的承诺。该项目旨在了解机制对具有复杂几何形状或表面特性的纳米颗粒之间相互作用的影响。在这项研究过程中，首席研究人员将以各种计算方法培训研究生和本科生，这将为他们在STEM领域的职业做好准备。高中生还将通过孟菲斯大学物理与材料科学系主持的夏季课程参与研究的某些方面。该研究的各个方面将在本科和研究生级别的一些课程中进行整合，这些课程由首席研究员教授。技术摘要这一奖项支持对由Nanoparticles在Lipid Membranes上广告产生的膜变形引起的两体相互作用和自组装的投资。该研究将通过有效的粗粒模型的系统和大规模分子动力学模拟进行。这种方法的效率源于溶液对溶液的治疗，从而软化珠子之间的成对相互作用，以及将纳米颗粒作为空心的镶嵌表面的处理。在这项研究中，将考虑两种主要类型的各向异性纳米颗粒，这些纳米颗粒对应于Sphero圆柱形纳米颗粒和Janus纳米颗粒。在拟议的研究的第一部分中，各向异性纳米颗粒与二聚体模式之间的二聚化阈值将根据纳米颗粒的几何形状及其表面异质性的几何形状进行系统确定。在平面无张力的脂质膜以及无张力的无拉圆柱膜和封闭蔬菜的情况下，将研究纳米颗粒二聚体的模式，并在膜的内部或外部粘附在膜的内部或外侧。在研究的第二部分中，将研究各向异性纳米颗粒的多体效应和自组装，以了解Sphero-lindrical纳米颗粒和Janus纳米颗粒的不同参数以及粘附强度的不同值。自由计算结果将与Helfrich Hamiltonian结合进行自由能计算来调查自我组件的稳定性。该奖项反映了NSF的法定任务，并被认为是通过基金会的智力优点和更广泛的影响审查标准通过评估来评估的。

项目成果

Spatial arrangements of spherical nanoparticles on lipid vesicles

脂质囊泡上球形纳米粒子的空间排列

• DOI: 10.1063/5.0054875
• 发表时间: 2021
• 期刊: The Journal of Chemical Physics
• 作者: Spangler, Eric J.;Laradji, Mohamed
• 通讯作者: Laradji, Mohamed

Modes of adhesion of spherocylindrical nanoparticles to tensionless lipid bilayers

球形纳米颗粒与无张力脂质双层的粘附模式

• DOI: 10.1063/5.0094234
• 发表时间: 2022
• 期刊: The Journal of Chemical Physics
• 作者: Sharma, Abash;Zhu, Yu;Spangler, Eric J.;Laradji, Mohamed
• 通讯作者: Laradji, Mohamed

Non-close-packed hexagonal self-assembly of Janus nanoparticles on planar membranes

Janus 纳米颗粒在平面膜上的非密堆积六方自组装

• DOI: 10.1039/d3sm00984j
• 发表时间: 2023
• 期刊: Soft Matter
• 影响因子: 3.4
• 作者: Zhu, Yu;Sharma, Abash;Spangler, Eric J.;Laradji, Mohamed
• 通讯作者: Laradji, Mohamed

Modes of adhesion of two Janus nanoparticles on the outer or inner side of lipid vesicles

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
• 发表时间: 2022
• 期刊: Soft Matter
• 影响因子: 3.4
• 作者: Zhu, Yu;Sharma, Abash;Spangler, Eric J.;Laradji, Mohamed
• 通讯作者: Laradji, Mohamed

Lipid Vesicles Induced Ordered Nanoassemblies of Janus Nanoparticles

脂质囊泡诱导 Janus 纳米粒子的有序纳米组装体

• DOI: 10.1039/d2sm01693a
• 发表时间: 2023
• 期刊: Soft Matter
• 影响因子: 3.4
• 作者: Zhu, Yu;Sharma, Abash;Spangler, Eric J;Carrillo, Jan Michael;Kumar, Sunil P.;Laradji, Mohamed
• 通讯作者: Laradji, Mohamed