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Effects of cytoskeletal network mesh size on cargo transport 细胞骨架网络网格大小对货物运输的影响。
IF 1.8 4区 物理与天体物理 Q3 Chemistry Pub Date : 2023-11-10 DOI: 10.1140/epje/s10189-023-00358-8
Nimisha Krishnan, Niranjan Sarpangala, Maria Gamez, Ajay Gopinathan, Jennifer L. Ross

Intracellular transport of cargoes in the cell is essential for the organization and functioning cells, especially those that are large and elongated. The cytoskeletal networks inside large cells can be highly complex, and this cytoskeletal organization can have impacts on the distance and trajectories of travel. Here, we experimentally created microtubule networks with varying mesh sizes and examined the ability of kinesin-driven quantum dot cargoes to traverse the network. Using the experimental data, we deduced parameters for cargo detachment at intersections and away from intersections, allowing us to create an analytical theory for the run length as a function of mesh size. We also used these parameters to perform simulations of cargoes along paths extracted from the experimental networks. We find excellent agreement between the trends in run length, displacement, and trajectory persistence length comparing the experimental and simulated trajectories.

细胞内货物运输对细胞的组织和功能至关重要,尤其是那些大而细长的细胞。大细胞内的细胞骨架网络可能非常复杂,这种细胞骨架组织可能对旅行的距离和轨迹产生影响。在这里,我们通过实验创建了具有不同网格大小的微管网络,并检查了驱动蛋白驱动的量子点货物穿越网络的能力。利用实验数据,我们推导了交叉口和远离交叉口的货物分离参数,使我们能够创建一个作为网格尺寸函数的行程长度的分析理论。我们还使用这些参数对从实验网络中提取的路径上的货物进行了模拟。通过比较实验轨迹和模拟轨迹,我们发现行程长度、位移和轨迹持续长度的趋势非常一致。
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引用次数: 0
Detecting a periodic signal by a population of spiking neurons in the weakly nonlinear response regime 在弱非线性反应状态下,由一群尖峰神经元检测周期性信号。
IF 1.8 4区 物理与天体物理 Q3 Chemistry Pub Date : 2023-11-06 DOI: 10.1140/epje/s10189-023-00371-x
Maria Schlungbaum, Benjamin Lindner

Motivated by experimental observations, we investigate a variant of the cocktail party problem: the detection of a weak periodic stimulus in the presence of fluctuations and another periodic stimulus which is stronger than the periodic signal to be detected. Specifically, we study the response of a population of stochastic leaky integrate-and-fire (LIF) neurons to two periodic signals and focus in particular on the question, whether the presence of one of the stimuli can be detected from the population activity. As a detection criterion, we use a simple threshold-crossing of the population activity over a certain time window. We show by means of the receiver operating characteristics (ROC) that the detectability depends only weakly on the time window of observation but rather strongly on the stimulus amplitude. Counterintuitively, the detection of the weak periodic signal can be facilitated by the presence of a strong periodic input current depending on the frequencies of the two signals and on the dynamical regime in which the neurons operate. Beside numerical simulations of the model, we present an analytical approximation for the ROC curve that is based on the weakly nonlinear response theory for a stochastic LIF neuron.

受实验观察的启发,我们研究了鸡尾酒会问题的一个变体:在存在波动的情况下检测一个弱周期性刺激和另一个比要检测的周期性信号更强的周期性刺激。具体而言,我们研究了随机泄漏积分和激发(LIF)神经元群体对两个周期性信号的反应,并特别关注是否可以从群体活动中检测到其中一个刺激的存在这一问题。作为检测标准,我们使用特定时间窗口内种群活动的简单阈值交叉。我们通过接收器工作特性(ROC)表明,可检测性仅弱地依赖于观察的时间窗,而强烈地依赖于刺激幅度。与直觉相反,根据两个信号的频率和神经元工作的动态状态,强周期性输入电流的存在可以促进弱周期性信号的检测。除了对模型进行数值模拟外,我们还基于随机LIF神经元的弱非线性响应理论,对ROC曲线进行了分析近似。
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引用次数: 0
Anomalous diffusion of lithium-anion clusters in ionic liquids 锂阴离子团簇在离子液体中的异常扩散。
IF 1.8 4区 物理与天体物理 Q3 Chemistry Pub Date : 2023-11-02 DOI: 10.1140/epje/s10189-023-00365-9
YeongKyu Lee, JunBeom Cho, Junseong Kim, Won Bo Lee, YongSeok Jho

Lithium-ion transport is significantly retarded in ionic liquids (ILs). In this work, we performed extensive molecular dynamics simulations to mimic the kinetics of lithium ions in ILs using [N-methyl-N-propylpyrrolidium (pyr(_{13}))][bis(trifluoromethanesulfonyl)imide (Ntf(_{2}))] with added LiNtf(_{2}) salt. And we analyzed their transport, developing a two-state model and comparing it to the machine learning-identified states. The transport of lithium ions involves local shell exchanges of the Ntf(_{2}) in the medium. We calculated train size distributions over various time scales. The train size distribution decays as a power law, representing non-Poissonian bursty shell exchanges. We analyzed the non-Poissonian processes of lithium ions transport as a two-state (soft and hard) model. We analytically calculated the transition probability of the two-state model, which fits well to the lifetime autocorrelation functions of LiNtf(_{2}) shells. To identify two states, we introduced the graph neutral network incorporating local molecular structure. The results reveal that the shell-soft state mainly contributes to the transport of the lithium ions, and their contribution is more important in low temperatures. Hence, it is the key for enhanced lithium ion transport to increase the fraction of the shell-soft state.

锂离子在离子液体(ILs)中的传输显著延迟。在这项工作中,我们进行了广泛的分子动力学模拟,以模拟离子液体中锂离子的动力学,使用[N-甲基-N-丙基吡咯烷(pyr[公式:见正文])][双(三氟甲磺酰基)酰亚胺(Ntf[公式:看正文])]和添加的LiNtf[式:见正文]盐。我们分析了它们的传输,开发了一个两状态模型,并将其与机器学习识别的状态进行了比较。锂离子的传输涉及介质中Ntf[公式:见正文]的局部壳层交换。我们计算了不同时间尺度上的列车大小分布。列车尺寸分布作为幂律衰减,代表非Poissonian爆壳交换。我们将锂离子传输的非泊松过程作为一个两态(软态和硬态)模型进行了分析。我们分析计算了两态模型的跃迁概率,它很好地拟合了LiNtf[公式:见正文]壳层的寿命自相关函数。为了识别两种状态,我们引入了包含局部分子结构的图中性网络。结果表明,壳的软态主要有助于锂离子的传输,在低温下它们的贡献更为重要。因此,提高壳层软态的比例是增强锂离子传输的关键。
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引用次数: 0
Effect of ionic strength on the assembly of simian vacuolating virus capsid protein around poly(styrene sulfonate) 离子强度对猿猴空泡化病毒衣壳蛋白在聚(苯乙烯磺酸盐)周围组装的影响。
IF 1.8 4区 物理与天体物理 Q3 Chemistry Pub Date : 2023-11-02 DOI: 10.1140/epje/s10189-023-00363-x
Roi Asor, Surendra W. Singaram, Yael Levi-Kalisman, Michael F. Hagan, Uri Raviv

Virus-like particles (VLPs) are noninfectious nanocapsules that can be used for drug delivery or vaccine applications. VLPs can be assembled from virus capsid proteins around a condensing agent, such as RNA, DNA, or a charged polymer. Electrostatic interactions play an important role in the assembly reaction. VLPs assemble from many copies of capsid protein, with a combinatorial number of intermediates. Hence, the mechanism of the reaction is poorly understood. In this paper, we combined solution small-angle X-ray scattering (SAXS), cryo-transmission electron microscopy (TEM), and computational modeling to determine the effect of ionic strength on the assembly of Simian Vacuolating Virus 40 (SV40)-like particles. We mixed poly(styrene sulfonate) with SV40 capsid protein pentamers at different ionic strengths. We then characterized the assembly product by SAXS and cryo-TEM. To analyze the data, we performed Langevin dynamics simulations using a coarse-grained model that revealed incomplete, asymmetric VLP structures consistent with the experimental data. We found that close to physiological ionic strength, (T=1) VLPs coexisted with VP1 pentamers. At lower or higher ionic strengths, incomplete particles coexisted with pentamers and (T=1) particles. Including the simulated structures was essential to explain the SAXS data in a manner that is consistent with the cryo-TEM images.

病毒样颗粒(VLP)是一种非感染性纳米胶囊,可用于药物递送或疫苗应用。VLP可以由病毒衣壳蛋白围绕凝聚剂组装,如RNA、DNA或带电聚合物。静电相互作用在组装反应中起着重要作用。VLP由衣壳蛋白的许多拷贝组装而成,具有组合数量的中间体。因此,人们对该反应的机理知之甚少。在本文中,我们结合溶液小角度X射线散射(SAXS)、冷冻透射电子显微镜(TEM)和计算模型来确定离子强度对四面液泡病毒40(SV40)样颗粒组装的影响。我们在不同离子强度下将聚(苯乙烯磺酸盐)与SV40衣壳蛋白五聚体混合。然后,我们用SAXS和低温TEM对组装产物进行了表征。为了分析数据,我们使用粗粒度模型进行了Langevin动力学模拟,该模型揭示了与实验数据一致的不完整、不对称的VLP结构。我们发现,接近生理离子强度,[公式:见正文]VLP与VP1五聚体共存。在较低或较高的离子强度下,不完全粒子与五聚体和[公式:见正文]粒子共存。包括模拟结构对于以与低温TEM图像一致的方式解释SAXS数据至关重要。
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引用次数: 2
Permanent shear localization in dense disordered materials due to microscopic inertia 由于微观惯性,致密无序材料中的永久剪切局部化。
IF 1.8 4区 物理与天体物理 Q3 Chemistry Pub Date : 2023-11-02 DOI: 10.1140/epje/s10189-023-00367-7
Vishwas V. Vasisht, Magali Le Goff, Kirsten Martens, Jean-Louis Barrat

In this work using computer simulations of 3D model of dense disordered solids we show, for the first time, the appearance of shear localization in the stationary flow under homogeneous driving conditions. To rationalize our simulation results we develop a continuum model, that couples the dynamics of the local flow to the evolution of a kinetic temperature field related to the local inertial dynamics. Our model predicts that the coupling of the flow field to this additional destabilizing field appears only as a necessary condition for shear localization, a minimum system size is necessary to accommodate the flow instability. Moreover we show that this size criterion resulting from our continuum description is in quantitative agreement with our particle-based simulation results.

在这项工作中,通过对致密无序固体三维模型的计算机模拟,我们首次展示了在均匀驱动条件下静止流中剪切局部化的出现。为了使我们的模拟结果合理化,我们开发了一个连续体模型,将局部流动的动力学与与与局部惯性动力学相关的动力学温度场的演化相耦合。我们的模型预测,流场与该附加失稳场的耦合仅作为剪切局部化的必要条件,最小系统尺寸是适应流动失稳所必需的。此外,我们还表明,由我们的连续体描述产生的这个尺寸标准与我们基于粒子的模拟结果在数量上一致。
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引用次数: 3
Novel molecular materials and devices from functional soft matter 功能性软物质的新型分子材料和器件。
IF 1.8 4区 物理与天体物理 Q3 Chemistry Pub Date : 2023-11-02 DOI: 10.1140/epje/s10189-023-00370-y
P. Lakshmi Praveen, Orlando Guzmann, Aritra Ghosh
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引用次数: 0
Active Ising Models of flocking: a field-theoretic approach 植绒的主动伊辛模型:一种场论方法。
IF 1.8 4区 物理与天体物理 Q3 Chemistry Pub Date : 2023-10-26 DOI: 10.1140/epje/s10189-023-00364-w
Mattia Scandolo, Johannes Pausch, Michael E. Cates

Using an approach based on Doi-Peliti field theory, we study several different Active Ising Models (AIMs), in each of which collective motion (flocking) of self-propelled particles arises from the spontaneous breaking of a discrete symmetry. We test the predictive power of our field theories by deriving the hydrodynamic equations for the different microscopic choices of aligning processes that define our various models. At deterministic level, the resulting equations largely confirm known results, but our approach has the advantage of allowing systematic generalization to include noise terms. Study of the resulting hydrodynamics allows us to confirm that the various AIMs share the same phenomenology of a first-order transition from isotropic to flocked states whenever the self-propulsion speed is nonzero, with an important exception for the case where particles align only pairwise locally. Remarkably, this variant fails entirely to give flocking—an outcome that was foreseen in previous work, but is confirmed here and explained in terms of the scalings of various terms in the hydrodynamic limit. Finally, we discuss our AIMs in the limit of zero self-propulsion where the ordering transition is continuous. In this limit, each model is still out of equilibrium because the dynamical rules continue to break detailed balance, yet it has been argued that an equilibrium universality class (Model C) prevails. We study field-theoretically the connection between our AIMs and Model C, arguing that these particular models (though not AIMs in general) lie outside the Model C class. We link this to the fact that in our AIMs without self-propulsion, detailed balance is not merely still broken, but replaced by a different dynamical symmetry in which the dynamics of the particle density is independent of the spin state.

.

使用基于Doi-Peliti场论的方法,我们研究了几种不同的主动伊辛模型(AIMs),其中自推进粒子的集体运动(群集)源于离散对称性的自发破坏。我们通过推导定义我们各种模型的排列过程的不同微观选择的流体动力学方程来测试我们场论的预测能力。在确定性水平上,所得方程在很大程度上证实了已知结果,但我们的方法具有允许系统泛化以包括噪声项的优点。对由此产生的流体动力学的研究使我们能够证实,无论自推进速度何时为非零时,各种AIM都具有从各向同性到植绒状态的一阶跃迁的相同现象,但粒子仅成对局部排列的情况除外。值得注意的是,这种变体完全没有给植绒带来之前工作中预见到的结果,但在这里得到了证实,并根据流体动力学极限中各种术语的比例进行了解释。最后,我们讨论了零自推进极限下的AIMs,其中有序跃迁是连续的。在这个极限下,每个模型仍然不平衡,因为动力学规则继续打破详细的平衡,但有人认为均衡普遍性类(模型C)占主导地位。我们从理论上研究了AIM和模型C之间的联系,认为这些特定的模型(尽管不是一般的AIM)不属于模型C类。我们将此与这样一个事实联系起来,即在没有自推进的AIM中,详细的平衡不仅仍然被打破,而且被一种不同的动力学对称性所取代,在这种对称性中,粒子密度的动力学与自旋状态无关。
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引用次数: 0
Topical issue on quantitative AI in complex fluids and complex flows: challenges and benchmarks 关于复杂流体和复杂流动中的定量人工智能的主题问题:挑战和基准。
IF 1.8 4区 物理与天体物理 Q3 Chemistry Pub Date : 2023-10-23 DOI: 10.1140/epje/s10189-023-00356-w
L. Biferale, M. Buzzicotti, M. Cencini
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引用次数: 0
Correction to: Collection of Festschrift in honor of Philip (Fyl) Pincus 更正为:纪念菲利普(费伊尔·平卡斯)的Festschrift收藏。
IF 1.8 4区 物理与天体物理 Q3 Chemistry Pub Date : 2023-10-20 DOI: 10.1140/epje/s10189-023-00351-1
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引用次数: 0
Characterizing the heterogeneity of membrane liquid-ordered domains 表征膜-液体有序域的不均匀性。
IF 1.8 4区 物理与天体物理 Q3 Chemistry Pub Date : 2023-10-17 DOI: 10.1140/epje/s10189-023-00359-7
Tanmoy Sarkar, Oded Farago

We use a lattice model of a ternary mixture containing saturated and unsaturated lipids with cholesterol (Chol), to study the structural properties characterizing the coexistence between the liquid-disordered and liquid-ordered phases. Depending on the affinity of the saturated and unsaturated lipids, the system may exhibit macroscopic (thermodynamic) liquid–liquid phase separation or be divided into small-size liquid-ordered domains surrounded by a liquid-disordered matrix. In both cases, it is found that the nanoscale structure of the liquid-ordered regions is heterogeneous, and that they are partitioned into Chol-rich sub-domains and Chol-free, gel-like, nano-clusters. This emerges as a characteristic feature of the liquid-ordered state, which helps distinguishing between liquid-ordered domains in a two-phase mixture, and similar-looking domains in a one-phase mixture that are rich in saturated lipids and Chol, but are merely thermal density fluctuations. The nano-structure heterogeneity of the liquid-ordered phase can be detected by suitable experimental spectroscopic methods and is observed also in atomistic computer simulations.

我们使用含有饱和和不饱和脂质与胆固醇(Chol)的三元混合物的晶格模型来研究表征液体无序相和液体有序相共存的结构性质。根据饱和和不饱和脂质的亲和力,该系统可能表现出宏观(热力学)液-液相分离,或者被划分为被液体无序基质包围的小尺寸液体有序域。在这两种情况下,都发现液体有序区域的纳米级结构是不均匀的,并且它们被划分为富含胆碱的亚结构域和不含胆碱的凝胶状纳米团簇。这是液体有序状态的一个特征,有助于区分两相混合物中的液体有序结构域和单相混合物中的类似结构域,前者富含饱和脂质和胆碱,但仅为热密度波动。液相有序相的纳米结构异质性可以通过合适的实验光谱方法检测,也可以在原子计算机模拟中观察到。
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引用次数: 0
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The European Physical Journal E
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