• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文学位 >Molecular simulations of water and monovalent ion dynamics in the electroporation of phospholipid bilayers.
【24h】

Molecular simulations of water and monovalent ion dynamics in the electroporation of phospholipid bilayers.

机译：磷脂双层电穿孔中水和单价离子动力学的分子模拟。

获取原文
获取原文并翻译 | 示例
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Electroporation provides a controllable method to introduce foreign substances into living cells. It is widely used by researchers in cell biology and the medical field to manipulate biological systems at the cellular level. For decades, electroporation has been studied extensively through experiments and theoretical models, and electroporation-based technologies have been improved substantially with these efforts. One of the issues in utilizing electroporation is the lack of understanding in the phenomenon's molecular mechanism and the microscopic details, mainly due to the difficulty in the direct experimental observation of the nanosecond-scale electropore formation process and the nanometer-sized electropore structure. To overcome this issue, Molecular Dynamics (MD) simulation has become one of the major tools to study electroporation at the microscopic level.;Recent advancements of high performance computing, such as the increase in processing power, developments in algorithms and parallelization, have improved the efficiency of MD simulation substantially. Due to these advancements, MD simulation has become a popular tool for studying systems that are composed of biomolecules. For nearly a decade of effort, MD simulation revealed many different aspects of electroporation and it provided a molecular description of the process. Using MD simulation, we are able to observe the events during the electropore formation and annihilation, as well as the transport processes of molecules through the electropore. In addition, MD simulation provides a platform to study the molecular structure of electropore, and the associated energetic.;My dissertation is organized as the follows: Chapter 1 provides the motivation of this research by discussing the applications of electroporation-based technology, electroporation experiments, and the existing continuum model that describes electroporation. Chapter 2 introduces the MD formalism, models, and various algorithms used in our MD simulation. I will also discuss some of the previous MD studies of electroporation and their significances at the end of Chapter 2. In Chapter 3, we will examine the dynamics of water bridge during different stages of electroporation, and delineate the role of water molecules in electroporation by comparing the lipid bilayer system with an artificial water-vacuum-water system. In Chapter 4, we will examine the steady state of an electropore in lipid bilayer and evaluate the pore conductance of ions. The pore conductance values obtained from the simulations can be compared with those obtained by experiments. In Chapter 5, we will examine the effects that monovalent ions impose on lipid bilayer and electropore formation. We will also examine the pore conductance of ions under various ion concentrations, and the PS translocation process. At the end, I will summarize the findings in our research and provide a short outlook on MD simulation in the study of electroporation.
机译：电穿孔提供了将异物引入活细胞的可控方法。它被细胞生物学和医学领域的研究人员广泛用于在细胞水平上操纵生物系统。数十年来，通过实验和理论模型对电穿孔进行了广泛的研究，并且基于这些努力，基于电穿孔的技术已得到实质性的改进。利用电穿孔的问题之一是对现象的分子机理和微观细节缺乏了解，这主要是由于难以直接实验观察纳秒级电孔形成过程和纳米级电孔结构。为了克服这个问题，分子动力学（MD）模拟已成为在微观层面研究电穿孔的主要工具之一。高性能计算的最新进展，例如处理能力的提高，算法的发展和并行化的改进，得到了改善。 MD仿真的效率大大提高。由于这些进步，MD模拟已成为研究由生物分子组成的系统的流行工具。经过近十年的努力，MD模拟揭示了电穿孔的许多不同方面，并提供了该过程的分子描述。使用MD模拟，我们能够观察到电孔形成和an灭期间的事件，以及分子通过电孔的传输过程。此外，MD模拟为研究电孔的分子结构及其相关的能量提供了一个平台。本文的结构如下：第1章通过讨论电穿孔技术的应用，电穿孔实验为研究提供了动力。 ，以及描述电穿孔的现有连续体模型。第2章介绍了MD形式主义，模型以及在MD仿真中使用的各种算法。我还将在第2章末尾讨论一些以前的MD的电穿孔研究及其意义。在第3章中，我们将研究电穿孔不同阶段中水桥的动力学，并描述水分子在电穿孔中的作用。将脂质双层系统与人工水-真空-水系统进行了比较。在第四章中，我们将检查脂质双层中电孔的稳态，并评估离子的孔隙电导率。可以将从模拟获得的孔隙电导率值与通过实验获得的孔隙率电导率值进行比较。在第5章中，我们将研究单价离子对脂质双层和电孔形成的影响。我们还将检查各种离子浓度下离子的孔隙电导率以及PS的转运过程。最后，我将总结我们的研究结果，并对电穿孔研究中的MD模拟提供一个简短的展望。

著录项

  • 作者

    Ho, Ming-Chak.;

  • 作者单位

    University of Southern California.;

  • 授予单位 University of Southern California.;
  • 学科 Biophysics General.
  • 学位 Ph.D.
  • 年度 2014
  • 页码 146 p.
  • 总页数 146
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号