生物大分子体系的非正常扩散和动力学无序效应的介观统计理论研究
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- 英文论文题名：Anomalous diffusion and dynamic Disorder in Biomolecular Systems Based on Mesoscopic Statistical Modeling
- 论文作者：赵南蓉 ; 边玉坤 ; 董运洪 ; 冯晓清
- 英文论文作者：Nanrong Zhao ; Yukun Bian ; Yunhong Dong ; Xiaoqing Feng ; College of Chemistry ; Sichuan University
- 年：2016
- 作者机构：四川大学化学学院;
- 论文关键词：非正常扩散 ; 动力学无序效应 ; 亚浓聚合物溶液 ; 模耦合理论 ; 广义郎之万方程
- 会议召开时间：2016-07-01
- 会议录名称：中国化学会第30届学术年会摘要集-第十九分会：化学中的量子与经典动力学
- 语种：中文
- 分类号：O645.11
- 学会代码：ZGHY
- 会议名称：中国化学会第30届学术年会-第十九分会 ; 化学中的量子与经典动力学
- 会议地点：中国辽宁大连
- 主办单位：中国化学会
- 学会名称：中国化学会
- 页数：1
- 文件大小：260k
- 原文格式：D
- 会议级别：全国
摘要
本次报告主要分为三部分:纳米粒子及蛋白分子在亚浓聚合物溶液中的非正常扩散、单分子拉伸实验的动力学无序理论以及DNA逃逸生物纳米孔的多指数动力学。(1)采用模耦合理论(Mode coupling theory)计算纳米粒子在聚合物溶液中的平动扩散系数与聚合物溶液浓度、聚合物分子大小以及纳米粒子尺寸等的定量依赖关系,着重考察对经典Stoke-Einstein关系的偏离。进一步,基于流体力学,计算蛋白在聚合物溶液中的平动和转动扩散系数,揭示粘度非均匀性分布导致平动和转动扩散退偶的机制。(2)采用Kramers速率理论及广义郎之万方程,研究生物大分子构象转变动力学,与单分子拉伸力实验结合,揭示动力学无序效应的影响。(3)基于瓶颈涨落(Fluctuation bottleneck)模型,研究DNA逃逸生物纳米孔的速率过程,揭示纳米孔构象慢涨落与逃逸多指数动力学的内在关联。上述理论体系分别用于相关实验分析,结果与实验吻合的很好。我们立足介观统计力学的一系列工作为复杂生物体系中扩散及反应动力学的研究提供借鉴。
This report will concern three relevant topics, including anomalous diffusion of nanoparticles and proteins in semidilute polymer solutions, the dynamic disorder theory in single-molecule pulling experiments as well as the kinetics of DNA escape from bio-molecule nanopores.(1) We studied the translational diffusion coefficient of nanoparticles in semidilute polymer solutions. The deviation from Stokes-Einstein relation is specially addressed. Besides, we calculated the uncoupling of translational and rotational diffusion coefficient of proteins in polymer solutions based on fluid mechanics, the depletion effect with be addressed.(2) Using Kramers' rate theory and generalized Langevin equation, we studied the dynamic disorder effect in the kinetics of molecular conformation transitions in single-molecule pulling experiments.(3) A fluctuation bottleneck model is adopted to analyze the escape rate of DNA from α-hemolysin nanopores.The role of configuration fluctuations of biomolecule nanopores to the non-exponential escape kinetics are considered. Above theories are in good agreement with experiments. These works provide sound starting point to the complicated diffusion-reaction processed in biomolecule systems.
This report will concern three relevant topics, including anomalous diffusion of nanoparticles and proteins in semidilute polymer solutions, the dynamic disorder theory in single-molecule pulling experiments as well as the kinetics of DNA escape from bio-molecule nanopores.(1) We studied the translational diffusion coefficient of nanoparticles in semidilute polymer solutions. The deviation from Stokes-Einstein relation is specially addressed. Besides, we calculated the uncoupling of translational and rotational diffusion coefficient of proteins in polymer solutions based on fluid mechanics, the depletion effect with be addressed.(2) Using Kramers' rate theory and generalized Langevin equation, we studied the dynamic disorder effect in the kinetics of molecular conformation transitions in single-molecule pulling experiments.(3) A fluctuation bottleneck model is adopted to analyze the escape rate of DNA from α-hemolysin nanopores.The role of configuration fluctuations of biomolecule nanopores to the non-exponential escape kinetics are considered. Above theories are in good agreement with experiments. These works provide sound starting point to the complicated diffusion-reaction processed in biomolecule systems.
引文
[1]Bian.Y.K.;Wang.Z.L.;Chen.A.P.;Zhao.N.R.J.Chem.Phys.2015,143:184908.
[2]Dong.Y.H.;Feng.X.Q.;Zhao.N.R.;Hou.Z.H.J.Chem.Phys.2015,143:024903.
[3]Li.P.;Dong.Y.H.;Zhao.N.R.;Hou.Z.H.J.Chem.Phys.2014,140:154109.
[4]Zheng.Y.;Bian.Y.K.;Zhao.N.R.;Hou.Z.H.J.Chem.Phys.2014,140:125102.
[5]Zheng.Y.;Li.P.;Zhao.N.R.;Hou.Z.H.J.Chem.Phys.2013,138:204102.
[2]Dong.Y.H.;Feng.X.Q.;Zhao.N.R.;Hou.Z.H.J.Chem.Phys.2015,143:024903.
[3]Li.P.;Dong.Y.H.;Zhao.N.R.;Hou.Z.H.J.Chem.Phys.2014,140:154109.
[4]Zheng.Y.;Bian.Y.K.;Zhao.N.R.;Hou.Z.H.J.Chem.Phys.2014,140:125102.
[5]Zheng.Y.;Li.P.;Zhao.N.R.;Hou.Z.H.J.Chem.Phys.2013,138:204102.