磷脂囊泡在胺端基和羧端基修饰金表面的沉积

磷脂囊泡与阴, 阳离子性表面作用的深入理解对磷脂的生物纳米科技应用具有重要意义. 通过石英电子微天平及耗散系数测量仪, 研究了不同离子性磷脂囊泡在胺端基和羧端基修饰Au衬底的沉积行为. 实验观察到四条囊泡沉积路径: (ⅰ)吸附至临界值后破裂成膜; (ⅱ)吸附即破裂成膜; (ⅲ)吸附不破裂; (ⅳ)不吸附. 沉积路径由囊泡与衬底的双电层相互作用决定, 离子可发挥调节作用.     

磷脂囊泡在胺端基和羧端基修饰金表面的沉积

磷脂囊泡与阴,阳离子性表面作用的深入理解对磷脂的生物纳米科技应用具有重要意义.通过石英电子微天平及耗散系数测量仪,研究了不同离子性磷脂囊泡在胺端基和羧端基修饰Au衬底的沉积行为.实验观察到四条囊泡沉积路径:(ⅰ)吸附至临界值后破裂成膜;(ⅱ)吸附即破裂成膜;(ⅲ)吸附不破裂;(ⅳ)不吸附.沉积路径由囊泡与衬底的双电层相互作用决定,离子可发挥调节作用.     

具有复杂界面的三维弹性液滴动力学模拟

具有复杂界面特性(如界面弹性、界面抗弯特性等)的弹性液滴(如血液细胞)的动力学行为对理解血流等液滴群流动极其重要。本文采用界面追踪法(Front tracking method)捕捉界面演变,界面有限元考虑界面弹性和抗弯特性,有限差分法求解控制方程,发展了研究复杂界面液滴动力学的直接数值模拟方法。通过模拟球形弹性液滴的变形运动验证了该方法的准确性,进而研究了线性剪切流场中弹性液滴的坦克履带式、摇摆式和翻滚式运动。     

聚联乙炔囊泡羧基端链有序-无序转变的二次谐波与双光子荧光研究（英文）

理解和调控具有π共轭骨架的聚联乙炔(PDAs)囊泡的界面特性对其变色传感化学及生物靶标分子的能力极其重要.本文采用联乙炔作为模型分子,通过调节紫外光辐照剂量制备了具有不同相态的PDAs水溶液样品(包括单体、蓝色相、紫色相和红色相).基于具有表面选择性的二次谐波(SHG)技术和zeta电位测量,通过探测探针分子D289在囊泡表面的吸附行为来研究PDAs囊泡变色过渡转变中界面构型的变化. SHG探测结果表明:在PDAs囊泡变色转变过程中,D289分子吸附贡献的共振SHG信号强度急剧衰减,对应的吸附自由能和双光子荧光信号强度均略有减小.依据zeta电位测量结果估算,具有不同相态的PDAs囊泡表面吸附D289分子的表面密度之间的差别相对较小.因此,SHG信号强度的衰减可归因于囊泡骨架结构发生扰动而驱动囊泡的羧基端链逐渐扭曲,进一步诱导D289分子取向变化及其整体结构的有序-无序转变.     

基于离散变分原理的耗散动力学模拟方法：模拟三维囊泡形状

将基于离散变分原理的耗散动力学模拟方法应用到三维囊泡体系,通过优化囊泡的弯曲能求解其平衡态形状. 该方法的优点之一是不需要预先假定对称性. 针对特定约化自发曲率的囊泡体系,该方法模拟获得了一系列轴对称形状,模拟结果与文献中预先假定轴对称条件的计算方法所报道的结果一致,这验证了该模拟方法的可靠性及精确性. 此外,使用该方法研究了两个差别巨大的平衡态形状之间的转变动力学,在转变过程中观察到了多个非轴对称的中间形状. 研究结果表明该方法不仅可以模拟囊泡的非轴对称结构,而且具备模拟囊泡在剧烈形变下演化过程的能力. 为研究更复杂的囊泡体系,特别是生物膜的形变提供了一个重要的理论模拟方法. 关键词： 生物膜 离散空间变分法 耗散动力学 三角网格划分     

磷脂在膜结构间的交换:温度和离子强度的影响

磷脂跨膜交换对生物膜功能与药学研究有重要意义.石英电子微天平及耗散系数测量仪被用于研究囊泡与支撑膜间磷脂的交换行为.研究表明:首先,在磷脂跨膜输运过程中,热力学环境和离子强度对支撑膜表面吸附囊泡的形变程度影响较小,囊泡与支撑膜的总接触面积直接取决于囊泡的吸附数量;其次,交换过程中膜结构间最大总接触面积随着温度的升高和离子强度的降低而增大,温度和离子引起的囊泡吸附速率和跨膜交换速率的变化在其中发挥着关键调节作用.本研究有助于加深对磷脂在生理条件下跨膜输运过程的理解,并为基于脂质体的药物载运体系研究提供参考.     

活性浴中非活性棒的扩散动力学模拟研究：非单调尺寸依赖和反常平动-转动耦合

本文采用Langevin动力学模拟二维刚性棒状示踪粒子在活性浴中的扩散动力学,主要关注示踪粒子平动(转动)扩散系数随其棒长和背景粒子的活性强度如何变化. 本文发现示踪粒子在小时间尺度显示出超扩散行为,并在大时间尺度下恢复到正常扩散,同时平动扩散系数和转动扩散系数均随背景粒子的活性强度增加单调增加,但呈现出与棒长的非单调依赖. 在研究棒的平动-转动耦合时发现这种平衡系统中不存在反直觉现象,即棒在一定参数下会表现出负的平动-转动耦合,表明示踪粒子在平行于棒方向上的扩散比在垂直方向上更慢. 这种异常(扩散)行为随背景粒子的活性强度增加具有重入行为,表明背景粒子的活性导致了两种扩散行为存在竞争关系的效应.     

活性浴中非活性棒的扩散动力学模拟研究:非单调尺寸依赖和反常平动-转动耦合（英文）

本文采用Langevin动力学模拟二维刚性棒状示踪粒子在活性浴中的扩散动力学,主要关注示踪粒子平动(转动)扩散系数随其棒长和背景粒子的活性强度如何变化.本文发现示踪粒子在小时间尺度显示出超扩散行为,并在大时间尺度下恢复到正常扩散,同时平动扩散系数和转动扩散系数均随背景粒子的活性强度增加单调增加,但呈现出与棒长的非单调依赖.在研究棒的平动-转动耦合时发现这种平衡系统中不存在反直觉现象,即棒在一定参数下会表现出负的平动-转动耦合,表明示踪粒子在平行于棒方向上的扩散比在垂直方向上更慢.这种异常(扩散)行为随背景粒子的活性强度增加具有重入行为,表明背景粒子的活性导致了两种扩散行为存在竞争关系的效应.     

基于Omega涡识别方法的诱导轮内非定常空化流动分析

为精确捕捉诱导轮中空化的行为特征并揭示其非定常流动机理,采用大涡模拟(LES)对一凝水泵诱导轮在设计工况、临界空化数下单独进行数值分析。基于Omega涡识别方法,对诱导轮内空化流动的流动结构及空化泡的关系进行研究。结果表明,Omega涡识别技术可以很好反映流动结构(剪切流与旋转流)与空化泡的关系：设计流量、临界空化数下,诱导轮叶片入口附近空化泡主要集中在轮缘附近的回流区内,回流区内部流动主要以剪切流的形式存在;而在流道中的回流区内流动主要以旋转运动为主,且空化泡主要集中在回流区与主流的剪切层区。     

多聚赖氨酸诱导的负电性磷脂巨囊泡形变

利用荧光显微技术表征了多聚赖氨酸诱导的负电性磷脂巨囊泡的动力学响应行为.研究发现,多聚赖氨酸可吸附至二油酰磷脂酰胆碱和二油酰磷脂酸混合磷脂巨囊泡的表面,诱导其发生粘连、出"绳"及破裂现象.分析认为,在低盐环境中,膜形变由多聚赖氨酸吸附于二油酰磷脂酸富集区引起的膜两叶应力不对称,以及静电相互作用等因素产生.研究结果对基于聚合物-巨囊泡体系的药物输运控释、细胞形变、微控反应和基因治疗等方面的研究提供有价值的支持.     

Dynamics of nearly spherical vesicles in an external flow

Tank-treading, tumbling, and trembling are different types of the vesicle behavior in an external flow. We derive a dynamical equation enabling us to establish a state of nearly spherical vesicles. For a 2D external flow, the character of the vesicle dynamics is determined by two dimensionless parameters, depending on the vesicle excess area, fluid viscosities, membrane viscosity and bending modulus, strength of the flow, and ratio of the elongational and rotational components of the flow. The tank-treading to tumbling transition occurs via a saddle-node bifurcation, whereas the tank-treading to trembling transition occurs via a Hopf bifurcation. A slowdown of vesicle dynamics should be observed in a vicinity of a point separating the transition lines. We show that the slowdown can be described by a power law with two different critical exponents 1/4 and 1/2 corresponding to the slowdown of tumbling and trembling cycles.     

Dynamics of viscous vesicles in shear flow

The dynamics of giant lipid vesicles under shear flow is experimentally investigated. Consistent with previous theoretical and numerical studies, two flow regimes are identified depending on the viscosity ratio between the interior and the exterior of the vesicle, and its reduced volume or excess surface. At low viscosity ratios, a tank-treading motion of the membrane takes place, the vesicle assuming a constant orientation with respect to the flow direction. At higher viscosity ratios, a tumbling motion is observed in which the whole vesicle rotates with a periodically modulated velocity. When the shear rate increases, this tumbling motion becomes increasingly sensitive to vesicle deformation due to the elongational component of the flow and significant deviations from simpler models are observed. A good characterization of these various flow regimes is essential for the validation of analytical and numerical models, and to relate microscopic dynamics to macroscopic rheology of suspensions of deformable particles, such as blood.     

Swinging and tumbling of fluid vesicles in shear flow

The dynamics of fluid vesicles in simple shear flow is studied using mesoscale simulations of dynamically triangulated surfaces, as well as a theoretical approach based on two variables: a shape parameter and the inclination angle, which has no adjustable parameters. We show that, between the well-known tank-treading and tumbling states, a new "swinging" state can appear. We predict the dynamic phase diagram as a function of the shear rate, the viscosities of the membrane and the internal fluid, and the reduced vesicle volume. Our results agree well with recent experiments.     

Vacillating breathing and tumbling of vesicles under shear flow

The dynamics of vesicles under a shear flow are analyzed analytically in the small deformation regime. We derive two coupled nonlinear equations which describe the vesicle orientation in the flow and its shape evolution. A new type of motion is found, namely, a "vacillating-breathing" mode: the vesicle orientation undergoes an oscillation around the flow direction, while the shape executes breathing dynamics. This solution coexists with tumbling. Moreover, we provide an explicit expression for the tumbling threshold. A rheological law for a dilute vesicle suspension is outlined.     

Orientation and dynamics of a vesicle in tank-treading motion in shear flow

Experimental results on mean inclination angle and its fluctuation due to thermal noise in tank-treading motion of a vesicle in shear flow as a function of vesicle excess area, normalized shear rate, viscosity, and viscosity contrast between inner and outer fluids, , are presented. Good quantitative agreement with theory made for was found. At the dependence is altered significantly. Dependence of the vesicle shape on shear rate is consistent with theory. A tank-treading velocity of the vesicle membrane is found to be a periodic function close to that predicted by theory.     

Tank treading and unbinding of deformable vesicles in shear flow: determination of the lift force

Deformation and tank-treading motion of flaccid vesicles in a linear shear flow close to a wall are quantitatively studied by light microscopy. Velocities of bounded vesicles obey Goldman's law established for rigid spheres. A progressive tilt and a transition of unbinding of vesicles are evidenced upon increasing the shear rate, gamma;. These observations disclose the existence of a viscous lift force, F(l), depending on the viscosity eta of the fluid, the radius R of the vesicle, its distance h from the substrate, and a monotonous decreasing function f(1-v) of the reduced volume v, in the following manner: F(l) = eta(gamma)(R(3)/h)f(1-v). This relation is valid for vesicles both close to and farther from the substrate.     

Red blood cells and other nonspherical capsules in shear flow: oscillatory dynamics and the tank-treading-to-tumbling transition

We consider the motion of red blood cells and other nonspherical microcapsules dilutely suspended in a simple shear flow. Our analysis indicates that depending on the viscosity, membrane elasticity, geometry, and shear rate, the particle exhibits either tumbling, tank-treading of the membrane about the viscous interior with periodic oscillations of the orientation angle, or intermittent behavior in which the two modes occur alternately. For red blood cells, we compute the complete phase diagram and identify a novel tank-treading-to-tumbling transition as the shear rate decreases. Observations of such motions coupled with our theoretical framework may provide a sensitive means of assessing capsule properties.     

On coupling between the orientation and the shape of a vesicle under a shear flow

A simple 2D model of deformable vesicles tumbling in a shear under flow is introduced in order to account for the main qualitative features observed experimentally as shear rates are increased. The simplicity of the model allows for a full analytical tractability while retaining the essential physical ingredients. The model reveals that the main axes of the vesicle undergo oscillations which are coupled to the vesicle orientation in the flow. The model reproduces and sheds light on the main novel features reported in recent experiments [M. Mader et al., Eur. Phys. J. E. 19, 389 (2006)], namely that both coefficients A and B that enter the Keller-Skalak equation, dψ/dt = A+Bcos(2 ψ) (ψ is the vesicle orientation angle in the shear flow), undergo a collapse upon increasing shear rate.     

Elastic capsules in shear flow: Analytical solutions for constant and time-dependent shear rates

We investigate the dynamics of microcapsules in linear shear flow within a reduced model with two degrees of freedom. In previous work for steady shear flow, the dynamic phases of this model, i.e. swinging, tumbling and intermittent behaviour, have been identified using numerical methods. In this paper, we integrate the equations of motion in the quasi-spherical limit analytically for time-constant and time-dependent shear flow using matched asymptotic expansions. Using this method, we find analytical expressions for the mean tumbling rate in general time-dependent shear flow. The capsule dynamics is studied in more detail when the inverse shear rate is harmonically modulated around a constant mean value for which a dynamic phase diagram is constructed. By a judicious choice of both modulation frequency and phase, tumbling motion can be induced even if the mean shear rate corresponds to the swinging regime. We derive expressions for the amplitude and width of the resonance peaks as a function of the modulation frequency.     

Fluid vesicles with viscous membranes in shear flow

The effect of membrane viscosity on the dynamics of vesicles in shear flow is studied. We present a new simulation technique, which combines three-dimensional multiparticle collision dynamics for the solvent with a dynamically triangulated membrane model. Vesicles are found to transit from steady tank treading to unsteady tumbling motion with increasing membrane viscosity. Depending on the reduced volume and membrane viscosity, shear can induce both discocyte-to-prolate and prolate-to-discocyte transformations. This behavior can be understood from a simplified model.