用弹性模型分析分子马达向前向后运动的概率

通过考虑分子马达kinesin的两个头处于不同的力学化学状态时具有不同的劲度系数,建立了弹性模型并根据玻尔兹曼定律分析了分子马达向前向后的行走概率,得到向前向后运动概率之比与外力的依赖关系,与Carter和Cross的实验结果相吻合.并且还用建立的弹性模型分析了实验上观察到的分子马达单向运动的因为以及在有外力时分子马达...     

分子马达肌球蛋白Ⅵ研究进展

生命体的一切活动，从肌肉收缩、细胞内部的运输、遗传物质（DNA）的复制、一直到细胞的分裂等等，追踪到分子水平，都是源于具有马达功能的蛋白质大分子做功的结果，它们称为分子马达（molecular motor）。具体到细胞内的物质运输，生物体主要依靠两种细胞骨架系统——微管和微丝，以及与之相关的马达蛋白。微管、微丝和马达蛋白组成的系统就好比细胞内的交通网络，不断进行着货物的运输，动力由三磷酸腺苷（ATP）水解所产生的能量来提供，其运转效率比一般的马达高得多，有的甚至接近100％。长距离的胞内运输主要是由沿微管运动的驱动蛋白（kinesin）和动力蛋白（dynein）承担，而短距离的运输可能需要在微丝上运动的肌球蛋白（myosin）。     

解旋酶Sen1行走机制的研究

转录终止是调节基因转录过程的重要步骤,关系到基因表达调控过程的正常进行和基因组的稳定性.酵母体系中,Sen1是一种解旋酶,通过水解腺苷三磷酸(adenosine triphosphate,ATP)获得能量来行使在核酸底物上的一维运动,进而实现转录终止功能.然而,Sen1的这种运动机制与转录终止功能的关联,目前尚未清晰的表征.本文应用凝胶电泳迁移方法表征Sen1解旋双链DNA和结合单链DNA的能力,并且发现单个Sen1分子能够结合≤24 nt(nucleotide,nt)的单链DNA;进一步,在提供ATP的条件下,应用单分子荧光共振能量转移技术表征了Sen1在单链DNA上的行走功能,其行走速率随ATP浓度变化而变化,符合经典米氏动力学模型;考虑单链DNA底物的长度,可以估算出Sen1的行走速率约为70 nt/s.这些研究结果定量表征了Sen1的行走速率,为理解真核转录终止机制提供了分子马达运动方面的实验数据.     

自扩散泳微观转动马达的介观模拟

转动的微尺度马达是一类重要的微流器件.近年来,因为其重要的应用及理论价值引起了学术界的广泛关注.本文提出了一种新型的自扩散泳驱动的微观转动马达模型.通过介观动力学模拟,验证了该模型的有效性.模拟结果表明,该自扩散泳微观转动马达可以单向地自驱动转动,并且转动速度和马达表面发生的催化化学反应速率(即自产生的浓度梯度场强弱)、以及液体分子与马达之间的相互作用有关.此外,研究了两个转动马达共存时的运动行为,重点考察了马达之间的流体力学相互作用和浓度梯度场效应对马达转动的影响.该自扩散泳微观转动马达为设计实用的微流器件提供了新的思路和参考,也为研究活性胶体系统的集体行为提供了理想模型.     

驱动马达定向运动的随机动力学模型

本文在非对称周期势中考虑驱动马达的机械化学耦合,基于布朗马达的工作原理,利用MATLAB数值模拟驱动马达在一定实验条件下的运动特征.我们首先模拟了单个驱动马达的位移和速度随时间变化的图像,然后分别计算了多个驱动马达运动的平均速度,最后计算了不同负载力条件下马达运动速度的系综平均值.模拟结果表明驱动马达在定向运动中存在等待态和行走态,行走步长约为8.2nm,且马达运动具有一定的随机性.通过与实验比较,发现模型计算结果与实验吻合.     

驱动马达力学化学耦合机制研究进展

驱动蛋白是细胞内重要的输运机器,属于平动分子马达.它有两个主要特征,其一是持续性,马达的两个头部在交替步行时至少有一头保持与微管吸附,因此它能沿微管长距离步进而不脱轨;另一个特征是马达的力学过程和化学过程是紧耦合的,即马达每前进一步消耗一个三磷酸腺苷.上述两个特征要求两个头部的核苷化学态及其与微管的相互作用需通过某个机构来协调统一,其中的核心问题是力学化学耦合机制,这也是所有化学驱动的分子马达的关键问题.得益于单分子实验技术和分子动力学模拟技术的发展,驱动马达力学化学耦合机制的研究在最近十年取得了重大突破.本文重点从运动学、动力学、协同机制和发力机制等方面介绍驱动马达基础研究的进展及面临的问题.     

驱动蛋白力产生机制的研究

驱动蛋白颈链对接过程及其力产生机制的研究,是揭示驱动蛋白结构与功能的关系,认识 生物体蛋白质中普遍存在的、高效的能量转化机制和精确的构象变化调控机制的一个基础性课 题。本文中,我们对驱动蛋白颈链对接的过程及其力产生机制进行了系统地分析研究。通过分子 动力学模拟,得到了处于空态的马达头部的合理结构。在此结构的基础上,通过对颈链对接的启 动机制以及具体实现过程、ATP结合引起的马达头部转动到颈链对接过程力传递路径的分析,从 动力学上实现了驱动蛋白颈链对接;澄清了颈链对接的启动机制、颈链向马达头部对接的实现机 制、驱动蛋白向前行走时的力产生机制、以及驱动蛋白双头力学化学循环调控机制。对文中所讨 论的一些关键问题,给出了实验验证的可能方案。本文的研究结果对理解驱动蛋白结构与功能关 系、分子马达的力产生机制、做功原理和高效的能量转换机制有重要的参考价值。     

声表面波驱动的非接触式转动马达

在研究摩擦力驱动的接触式转动马达的基础上,本文研制了一种由声表面波驱动的非接触式转动马达.这种马达的定子选用128°YX-LiNbO3晶体,在晶体表面光刻两对叉指换能器,由叉指换能器在定子表面激发两列平行而反向传播的声表面波.定子表面铺一层流体,转子就浮在流体表面.当定子表面有两列平行而反向的声表面波传播时,流体层中就会产生平行而反向的声流,这种黏性流体的声流运动就会驱动转子运动.实验上测定了马达的角速度随驱动电压,流体层厚度以及流体运动黏性系数变化的结果.同时,我们也发现,在相同工作频率下,非接触式转动马达的阈值电压远小于接触式.     

分子马达的调节机制

细胞维持生命就需要不断与外界进行物质交换,并且在细胞内部也频繁地进行着物质交换。细胞内部高度分化,由不同的细胞器（如细胞核,高尔基复合体等）组成,我们将细胞器比做“工厂”,每个工厂都有自己独一无二的“产品”（货物）,细胞器是如何将产品分配给他们的“消费者”以及其他的工厂呢？在细胞内,运输货物的主要任务由分子马达（简称马达）家族中的肌球蛋白,驱动蛋白及动力蛋白来完成。马达完成运输的过程可分为三步：（1）识别货物并与货物结合;（2）沿着各自的“轨道”完成多个化学．力学循环,运输的过程中可能需要马达之间任务的交接;（3）将到达目的地时,识别目的地并将货物卸下。为了深入的介绍马达的调节机制,在内容上作了如下安排：1．介绍马达的基本概念及分类。2．介绍马达的结构及其运动特性。     

布朗马达的非均匀高斯跃迁模型

提出了布朗马达的非均匀高斯跃迁理论，用布朗粒子在多态之间的跃迁模型描述分子马达的定向运动.假定跃迁速率与位置有关，且在跃迁点附近具有高斯函数形式，将布朗粒子在x处的概率密度Pm(x,t)在跃迁点附近展开，可以进行任意阶的近似计算.这一理论涵盖了以往的定点跃迁模型和均匀跃迁模型.作为具体例子，研究了系统在两态之间的跃迁问题.假定在一个周期内有两个跃迁点，讨论了布朗粒子定向运动产生的概率流随温度、跃迁速率和 跃迁宽度的变化关系. 关键词： 布朗马达 高斯跃迁 概率流     

Synthesis and characterization of Ca2Sn1-xCexO4 with blue luminescence originating from Ce^4＋ charge transfer transition

Ce^4＋-doped Ca2SnO4 with a one-dimensional structure, which emits bright blue light, is prepared by using a solid-state reaction method. The x-ray diffraction results show that the Ce^4＋ ions doped in Ca2SnO4 occupy the Sn^4＋ sites. The excitation and emission spectra of Ca2Sn1-xCexO4 appear to have broad bands with peaks at - 268nm and -442nm, respectively. A long excited-state lifetime （-83μs） for the emission from Ca2Sn1-xCexO4 suggests that the luminescence originates from a ligand-to-metal Ce^4＋ charge transfer （CT）. The luminescent properties of Ca2Snl_xCexO4 have been compared with those of Sr2CeO4, which is the only material reported so far to show Ce^4＋ CT luminescence. More interestingly, it is observed that the emission intensity of Ca2Sn1-xCexO4 with a small doping concentration （x - 0.03） is comparable to that of Sr2CeO4 in which the concentration of active centre is 100%.     

1.15 kW连续波全固态Nd:YAG激光器

研制了五组双线二极管列阵侧面泵浦Nd: YAG棒的高效率、高功率激光头。将一块90° 石英旋光片插入两个这样的激光头中间并置入热近非稳对称平平腔，产生了1157 W高光束质量（M2 ~ 39）1064 nm连续波输出，据我们所知，这是侧面泵浦双棒Nd: YAG激光器产生的最高功率。     

Cooperativity of multiple kinesin-1 motors mechanically coupled through a shared load

Recent experiments using single-molecule techniques have characterized the mechanical properties of single kinesin molecules in vitro at a range of loads and ATP concentrations. These experiments have shown that kinesin moves processively along microtubules by alternately advancing each of its motor domains in a hand-over-hand fashion, using Brownian motion and the energy from ATP hydrolysis. We have extended the theoretical analysis of kinesin through a mechanistic model that is capable of describing transient and steady-state behavior. Transient dynamics are needed to describe the effect of external perturbations (e.g. interactions with other kinesin molecules). Quantitative metrics are tailored to characterize the synchronization of nonlinear, nonsmooth systems such as kinesin. These metrics are employed to analyze the simulation results and to quantify the effect of the cargo linker stiffness, the load, and the difference in intrinsic velocity on the synchronization of two coupled motor proteins. Herein, the mechanistic model and the new analysis techniques are demonstrated for the case of two coupled kinesin motors.     

Monte Carlo Simulation of Kinesin Movement with a Lattice Model

Kinesin is a processive double-headed molecular motor that moves along a microtubule by taking about 8nm steps. It generally hydrolyzes one ATP molecule for taking each forward step. The processive movement of the kinesin molecular motors is numerically simulated with a lattice model. The motors are considered as Brownian particles and the ATPase processes of both heads are taken into account. The Monte Carlo simulation results agree well with recent experimental observations, especially on the relation of velocity versus ATP and ADP concentrations.     

The neck linker of kinesin 1 seems optimally designed to approach the largest stepping velocity: a simulation study of an ideal model

The neck linker is widely believed to play a critical role in the hand-over-hand walking of conventional kinesin 1. Experiments have shown that change of the neck linker length will significantly change the stepping velocity of the motor. In this paper, we studied this length effect based on a highly simplified chemically powered ratchet model. In this model, we assume that the chemical steps (ATP hydrolysis, ADP and P(i) release, ATP binding, neck linker docking) are fast enough under conditions far from equilibrium and the mechanical steps (detachment, diffusional search and re-attachment of the free head) are rate-limiting in kinesin walking. According to this model, and regarding the neck linker as a worm-like-chain polypeptide, we can calculate the steady state stepping velocity of the motor for different neck linker lengths. Our results show, under the actual values of binding energy between kinesin head and microtubule (~15k(B)T) and the persistence length of neck linker (~0.5 nm), that there is an optimal neck linker length (~14-16 a.a.) corresponding to the maximal velocity, which implies that the length of the wild-type neck linker (~15 a.a.) might be optimally designed for kinesin 1 to approach the largest stepping velocity.     

Growth,characterization, and Raman spectra of the 1T phases of TiTe2, TiSe2, and TiS2

High-quality large 1$T$ phase of Ti$X_2$ ($X ={\rm Te}$, Se, and S) single crystals have been grown by chemical vapor transport using iodine as a transport agent. The samples are characterized by compositional and structural analyses, and their properties are investigated by Raman spectroscopy. Several phonon modes have been observed, including the widely reported $A_{1g}$ and $E_g$ modes, the rarely reported $E_u$ mode ($\sim$183 cm$^{-1}$ for TiTe$_2$, and $\sim$185 cm$^{-1}$ for TiS$_2$), and even the unexpected $K$ mode ($\sim$85 cm$^{-1}$) of TiTe$_2$. Most phonons harden with the decrease of temperature, except that the $K$ mode of TiTe$_2$ and the $E_u$ and "$A_{2u}$/Sh" modes of TiS$_2$ soften with the decrease of temperature. In addition, we also found phonon changes in TiSe$_2$ that may be related to charge density wave phase transition. Our results on Ti$X_2$ phonons will help to understand their charge density wave and superconductivity.     

Investigation of the structural and dynamic basis of kinesin dissociation from microtubule by atomistic molecular dynamics simulations

Kinesin is a molecular motor that can step processively on microtubules via the hydrolysis of ATP molecules. An important factor characterizing the processivity of the kinesin motor is its dissociation from the microtubule. Here, using all-atom molecular dynamics simulations, we studied the dissociation process of the kinesin head in weak-microtubule-binding or ADP state from tubulin on the basis of the available high-resolution structural data for the head and tubulin. By analyzing the simulated snapshots of the structure of the head-tubulin complex we provided detailed structural and dynamic information for the dissociation process. We found that the dissociation of the head along different directions relative to the tubulin exhibits very different dynamic behaviors. Moreover, the potential forms or energy landscapes of the interaction between the head and tubulin along different directions were determined. The studies have important implications for the detailed molecular mechanism of the dissociation of the kinesin motor and thus are critical to the mechanism of its processivity.     

Model for processive movement of myosin V and myosin VI

Myosin V and myosin VI are two classes of two-headed molecular motors of the myosin superfamily that move processively along helical actin filaments in opposite directions. Here we present a hand-over-hand model for their processive movements. In the model, the moving direction of a dimeric molecular motor is automatically determined by the relative orientation between its two heads at free state and its head‘s binding orientation on track filament.This determines that myosin V moves toward the barbed end and myosin VI moves toward the pointed end of actin.During the moving period in one step, one head remains bound to actin for myosin V whereas two heads are detached for myosin VI: the moving manner is determined by the length of neck domain. This naturally explains the similar dynamic behaviours but opposite moving directions of myosin VI and mutant myosin V (the neck of which is truncated to only one-sixth of the native length). Because of different moving manners, myosin VI and mutant myosin V exhibit significantly broader step-size distribution than native myosin V. However, all the three motors give the same mean step size of -36nm (the pseudo-repeat of actin helix). All these theoretical results are in agreement with previous experimental ones.