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Ions and dipoles in electric field: nonlinear polarization and field-dependent chemical reaction 电场中的离子和偶极子:非线性极化和随电场变化的化学反应。
IF 1.8 4区 物理与天体物理 Q3 Chemistry Pub Date : 2024-01-11 DOI: 10.1140/epje/s10189-023-00398-0
Akira Onuki

We investigate electric-field effects in dilute electrolytes with nonlinear polarization. As a first example of such systems, we add a dipolar component with a relatively large dipole moment (mu _0) to an aqueous electrolyte. As a second example, the solvent itself exhibits nonlinear polarization near charged objects. For such systems, we present a Ginzburg-Landau free energy and introduce field-dependent chemical potentials, entropy density, and stress tensor, which satisfy general thermodynamic relations. In the first example, the dipoles accumulate in high-field regions, as predicted by Abrashikin et al.[Phys.Rev.Lett. 99, 077801 (2007)]. Finally, we consider the case, where Bjerrum ion pairs form a dipolar component with nonlinear polarization. The Bjerrum dipoles accumulate in high-field regions, while field-induced dissociation was predicted by Onsager [J. Chem. Phys.2, 599 (1934)]. We present an expression for the field-dependent association constant K(E), which depends on the field strength nonmonotonically.

我们研究了具有非线性极化的稀电解质中的电场效应。作为此类系统的第一个例子,我们在水性电解质中加入了偶极矩相对较大的偶极成分[公式:见正文]。第二个例子是,溶剂本身在带电物体附近表现出非线性极化。对于这类系统,我们提出了金兹堡-朗道自由能,并引入了与场有关的化学势、熵密度和应力张量,它们满足一般的热力学关系。在第一个例子中,偶极子在高场区域积聚,正如 Abrashikin 等人[Phys.Rev.Lett. 99, 077801 (2007)] 所预测的那样。最后,我们考虑了比尤鲁姆离子对形成非线性极化偶极分量的情况。Bjerrum 偶极子在高场区聚集,而场诱导解离是由 Onsager 预测的[J. Chem. Phys.2, 599 (1934)]。我们给出了场相关关联常数 K(E) 的表达式,它与场强非单调相关。
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引用次数: 0
Physical insights into biological memory using phospholipid membranes 利用磷脂膜对生物记忆的物理洞察。
IF 1.8 4区 物理与天体物理 Q3 Chemistry Pub Date : 2024-01-11 DOI: 10.1140/epje/s10189-023-00391-7
Dima Bolmatov, C. Patrick Collier, John Katsaras, Maxim O. Lavrentovich

Electrical signals may propagate along neuronal membranes in the brain, thus enabling communication between nerve cells. In doing so, lipid bilayers, fundamental scaffolds of all cell membranes, deform and restructure in response to such electrical activity. These changes impact the electromechanical properties of the membrane, which then physically store biological memory. This memory can exist either over a short or long period of time. Traditionally, biological memory is defined by the strengthening or weakening of transmissions between individual neurons. Here, we show that electrical stimulation may also alter the properties of the lipid membrane, thus pointing toward a novel mechanism for memory storage. Furthermore, based on the analysis of existing electrophysiological data, we study molecular mechanisms underlying the long-term potentiation in phospholipid membranes. Finally, we examine possible relationships between the memory capacitive properties of lipid membranes, neuronal learning, and memory.

电信号可以沿着大脑中的神经元膜传播,从而实现神经细胞之间的交流。在此过程中,所有细胞膜的基本支架--脂质双分子层会随着这种电活动而变形和重组。这些变化会影响膜的机电特性,进而在物理上储存生物记忆。这种记忆可以存在很短或很长时间。传统上,生物记忆是通过单个神经元之间传输的加强或减弱来定义的。在这里,我们展示了电刺激也可能改变脂膜的特性,从而指向一种新的记忆存储机制。此外,在分析现有电生理学数据的基础上,我们研究了磷脂膜长期电位的分子机制。最后,我们研究了脂膜的记忆电容特性、神经元学习和记忆之间可能存在的关系。
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引用次数: 0
Multispherical shapes of vesicles with intramembrane domains 具有膜内结构域的多球形囊泡。
IF 1.8 4区 物理与天体物理 Q3 Chemistry Pub Date : 2024-01-11 DOI: 10.1140/epje/s10189-023-00399-z
Reinhard Lipowsky

Phase separation of biomembranes into two fluid phases, a and b, leads to the formation of vesicles with intramembrane a- and b-domains. These vesicles can attain multispherical shapes consisting of several spheres connected by closed membrane necks. Here, we study the morphological complexity of these multispheres using the theory of curvature elasticity. Vesicles with two domains form two-sphere shapes, consisting of one a- and one b-sphere, connected by a closed ab-neck. The necks’ effective mean curvature is used to distinguish positive from negative necks. Two-sphere shapes of two-domain vesicles can attain four different morphologies that are governed by two different stability conditions. The closed ab-necks are compressed by constriction forces which induce neck fission and vesicle division for large line tensions and/or large spontaneous curvatures. Multispherical shapes with one ab-neck and additional aa- and bb-necks involve several stability conditions, which act to reduce the stability regimes of the multispheres. Furthermore, vesicles with more than two domains form multispheres with more than one ab-neck. The multispherical shapes described here represent generalized constant-mean-curvature surfaces with up to four constant mean curvatures. These shapes are accessible to experimental studies using available methods for giant vesicles prepared from ternary lipid mixtures.

将生物膜相分离成 a 和 b 两种流体相会形成具有膜内 a 和 b 域的囊泡。这些囊泡可呈多球形,由封闭的膜颈连接的多个球体组成。在此,我们利用曲率弹性理论研究了这些多球的形态复杂性。具有两个领域的囊泡形成双球体形状,由一个 a 球体和一个 b 球体组成,并由一个封闭的 ab 形颈连接。颈部的有效平均曲率用于区分正颈和负颈。双域囊泡的双球形状可以达到四种不同的形态,它们受两种不同稳定性条件的制约。当线张力较大和/或自发曲率较大时,封闭的ab-necks会受到收缩力的压缩,从而导致颈部裂开和囊泡分裂。具有一个ab-颈和额外的aa-和bb-颈的多球体形状涉及多个稳定性条件,这些条件降低了多球体的稳定性。此外,具有两个以上结构域的囊泡会形成具有一个以上ab-颈的多球体。这里描述的多球体形状代表了具有多达四个恒定平均曲率的广义恒定平均曲率表面。使用现有方法对三元脂质混合物制备的巨型囊泡进行实验研究,可以获得这些形状。
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引用次数: 0
A continuum mechanics model of the plant cell wall reveals interplay between enzyme action and cell wall structure 植物细胞壁连续介质力学模型揭示了酶作用与细胞壁结构之间的相互作用。
IF 1.8 4区 物理与天体物理 Q3 Chemistry Pub Date : 2024-01-06 DOI: 10.1140/epje/s10189-023-00396-2
Euan T. Smithers, Jingxi Luo, Rosemary J. Dyson

Plant cell growth is regulated through manipulation of the cell wall network, which consists of oriented cellulose microfibrils embedded within a ground matrix incorporating pectin and hemicellulose components. There remain many unknowns as to how this manipulation occurs. Experiments have shown that cellulose reorients in cell walls as the cell expands, while recent data suggest that growth is controlled by distinct collections of hemicellulose called biomechanical hotspots, which join the cellulose molecule together. The enzymes expansin and Cel12A have both been shown to induce growth of the cell wall; however, while Cel12A’s wall-loosening action leads to a reduction in the cell wall strength, expansin’s has been shown to increase the strength of the cell wall. In contrast, members of the XTH enzyme family hydrolyse hemicellulose but do not appear to cause wall creep. This experimentally observed behaviour still awaits a full explanation. We derive and analyse a mathematical model for the effective mechanical properties of the evolving cell wall network, incorporating cellulose microfibrils, which reorient with cell growth and are linked via biomechanical hotspots made up of regions of crosslinking hemicellulose. Assuming a visco-elastic response for the cell wall and using a continuum approach, we calculate the total stress resultant of the cell wall for a given overall growth rate. By changing appropriate parameters affecting breakage rate and viscous properties, we provide evidence for the biomechanical hotspot hypothesis and develop mechanistic understanding of the growth-inducing enzymes.

细胞壁网络由定向纤维素微纤维组成,嵌入含有果胶和半纤维素成分的基质中。关于这种操纵是如何发生的,还有许多未知数。实验表明,随着细胞的扩张,细胞壁中的纤维素会重新定向,而最近的数据表明,生长是由被称为生物力学热点的半纤维素的独特集合体控制的,这些集合体将纤维素分子连接在一起。研究表明,扩张素和 Cel12A 都能诱导细胞壁的生长;然而,Cel12A 的松壁作用会导致细胞壁强度降低,而扩张素的作用则会增加细胞壁的强度。相反,XTH 酶家族的成员水解半纤维素,但似乎不会导致细胞壁蠕变。这种实验观察到的行为仍有待全面解释。我们推导并分析了一个关于不断演变的细胞壁网络有效机械特性的数学模型,该模型包含纤维素微纤维,它们随着细胞的生长而重新定向,并通过由交联半纤维素区域组成的生物力学热点连接起来。假定细胞壁具有粘弹性响应,并采用连续方法,我们可以计算出在给定的整体生长速率下细胞壁的总应力结果。通过改变影响断裂率和粘度特性的适当参数,我们为生物力学热点假说提供了证据,并加深了对生长诱导酶的机理理解。
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引用次数: 0
Motility and swimming: universal description and generic trajectories 运动和游泳:通用描述和通用轨迹。
IF 1.8 4区 物理与天体物理 Q3 Chemistry Pub Date : 2023-12-26 DOI: 10.1140/epje/s10189-023-00395-3
Alexander Farutin, Suhail M. Rizvi, Wei-Fan Hu, Te-Sheng Lin, Salima Rafai, Chaouqi Misbah

Autonomous locomotion is a ubiquitous phenomenon in biology and in physics of active systems at microscopic scale. This includes prokaryotic, eukaryotic cells (crawling and swimming) and artificial swimmers. An outstanding feature is the ability of these entities to follow complex trajectories, ranging from straight, curved (circular, helical...), to random-like ones. The non-straight nature of these trajectories is often explained as a consequence of the asymmetry of the particle or the medium in which it moves, or due to the presence of bounding walls, etc... Here, we show that for a particle driven by a concentration field of an active species, straight, circular and helical trajectories emerge naturally in the absence of asymmetry of the particle or that of suspending medium. Our proof is based on general considerations, without referring to an explicit form of a model. We show that these three trajectories correspond to self-congruent solutions. Self-congruency means that the states of the system at different moments of time can be made identical by an appropriate combination of rotation and translation of the coordinate space. We show that these solutions are exhibited by spherically symmetric particles as a result of a series of pitchfork bifurcations, leading to spontaneous symmetry breaking in the concentration field driving the particle motility. Self-congruent dynamics in one and two dimensions are analyzed as well. Finally, we present a simple explicit nonlinear exactly solvable model of fully isotropic phoretic particle that shows the transitions from a non-motile state to straight motion to circular motion to helical motion as a series of spontaneous symmetry-breaking bifurcations. Whether a system exhibits or not a given trajectory only depends on the numerical values of parameters entering the model, while asymmetry of swimmer shape, or anisotropy of the suspending medium, or influence of bounding walls are not necessary.

在微观尺度的生物和活动系统物理学中,自主运动是一种无处不在的现象。这包括原核细胞、真核细胞(爬行和游泳)和人工游泳器。这些实体的一个突出特点是能够遵循复杂的轨迹,从直线、曲线(圆形、螺旋形......)到随机轨迹。这些轨迹的非直线性通常被解释为粒子或其运动介质不对称的结果,或由于存在边界壁等原因。在这里,我们证明,对于由活性物种浓度场驱动的粒子,在粒子或悬浮介质不对称的情况下,自然会出现直线、圆形和螺旋形轨迹。我们的证明是基于一般考虑,而不涉及模型的明确形式。我们证明这三种轨迹对应于自洽解。自洽是指通过坐标空间的旋转和平移的适当组合,可以使系统在不同时刻的状态相同。我们的研究表明,球形对称粒子由于一系列叉形分叉而表现出这些解,从而导致驱动粒子运动的浓度场自发地打破对称性。我们还分析了一维和二维的自洽动力学。最后,我们提出了一个简单明确的非线性完全可解的全各向同性蠕动粒子模型,该模型显示了从非运动状态到直线运动到圆周运动再到螺旋运动的转变过程,即一系列自发的对称性破缺分岔。系统是否表现出给定轨迹只取决于进入模型的参数数值,而不需要考虑游动体形状的不对称性、悬浮介质的各向异性或边界壁的影响。
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引用次数: 0
Non-specific cargo–filament interactions slow down motor-driven transport 非特异性的货物-纤维相互作用会减慢马达驱动的运输速度
IF 1.8 4区 物理与天体物理 Q3 Chemistry Pub Date : 2023-12-21 DOI: 10.1140/epje/s10189-023-00394-4
Joelle A. Labastide, David A. Quint, Reilly K. Cullen, Bryan Maelfeyt, Jennifer L. Ross, Ajay Gopinathan

Active, motor-based cargo transport is important for many cellular functions and cellular development. However, the cell interior is complex and crowded and could have many weak, non-specific interactions with the cargo being transported. To understand how cargo-environment interactions will affect single motor cargo transport and multi-motor cargo transport, we use an artificial quantum dot cargo bound with few (~ 1) to many (~ 5–10) motors allowed to move in a dense microtubule network. We find that kinesin-driven quantum dot cargo is slower than single kinesin-1 motors. Excitingly, there is some recovery of the speed when multiple motors are attached to the cargo. To determine the possible mechanisms of both the slow down and recovery of speed, we have developed a computational model that explicitly incorporates multi-motor cargos interacting non-specifically with nearby microtubules, including, and predominantly with the microtubule on which the cargo is being transported. Our model has recovered the experimentally measured average cargo speed distribution for cargo-motor configurations with few and many motors, implying that numerous, weak, non-specific interactions can slow down cargo transport and multiple motors can reduce these interactions thereby increasing velocity.

Graphic abstract

基于马达的主动货物运输对许多细胞功能和细胞发育都很重要。然而,细胞内部复杂而拥挤,可能会与被运输的货物发生许多微弱的非特异性相互作用。为了了解货物与环境之间的相互作用将如何影响单马达货物运输和多马达货物运输,我们使用了一种人工量子点货物,它与少数(约 1 个)至多数(约 5-10 个)马达结合,允许其在密集的微管网络中移动。我们发现,驱动蛋白驱动的量子点货物运输比单驱动蛋白-1 电机慢。令人兴奋的是,当多个马达连接到货物上时,速度会有所恢复。为了确定速度减慢和恢复的可能机制,我们建立了一个计算模型,明确地将多电机货物与附近的微管(包括主要是正在运输货物的微管)发生非特异性相互作用纳入其中。我们的模型恢复了实验测量的货物-电机配置(少电机和多电机)的平均货物速度分布,这意味着大量微弱的非特异性相互作用会减慢货物运输速度,而多电机可以减少这些相互作用,从而提高速度。
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引用次数: 0
Instanton-based importance sampling for extreme fluctuations in a shell model for turbulent energy cascade 基于瞬时重要性采样的湍流能量级联壳模型中的极端波动。
IF 1.8 4区 物理与天体物理 Q3 Chemistry Pub Date : 2023-12-21 DOI: 10.1140/epje/s10189-023-00392-6
Guilherme Tegoni Goedert, Luca Biferale

Many out-of-equilibrium flows present non-Gaussian fluctuations in physically relevant observables, such as energy dissipation rate. This implies extreme fluctuations that, although rarely observed, have a significant phenomenology. Recently, path integral methods for importance sampling have emerged from formalism initially devised for quantum field theory and are being successfully applied to the Burgers equation and other fluid models. We proposed exploring the domain of application of these methods using a shell model, a dynamical system for turbulent energy cascade which can be numerically sampled for extreme events in an efficient manner and presents many interesting properties. We start from a validation of the instanton-based importance sampling methodology in the heat equation limit. We explored the limits of the method as nonlinearity grows stronger, finding good qualitative results for small values of the leading nonlinear coefficient. A worst agreement between numerical simulations of the whole systems and instanton results for estimation of the distribution’s flatness is observed when increasing the nonlinear intensities.

许多非均衡流在物理相关观测值(如能量耗散率)中呈现非高斯波动。这意味着极端波动虽然很少被观测到,但却具有重要的现象学意义。最近,用于重要度采样的路径积分方法从最初为量子场论设计的形式主义中脱颖而出,并成功应用于布尔格斯方程和其他流体模型。我们建议使用贝壳模型探索这些方法的应用领域,贝壳模型是湍流能量级联的动力系统,可以对极端事件进行有效的数值采样,并呈现出许多有趣的特性。我们首先验证了热方程极限下基于瞬子的重要性采样方法。随着非线性的增强,我们探索了该方法的局限性,发现对于主要非线性系数的较小值,该方法具有良好的定性结果。当非线性强度增大时,整个系统的数值模拟结果与瞬时结果在估计分布平整度方面的一致性最差。
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引用次数: 0
Electrostatics and hydrophobicity in the dynamics of intrinsically disordered proteins 本质无序蛋白质动力学中的静电和疏水性
IF 1.8 4区 物理与天体物理 Q3 Chemistry Pub Date : 2023-12-21 DOI: 10.1140/epje/s10189-023-00383-7
Renee Vancraenenbroeck, Hagen Hofmann

Internal friction is a major contribution to the dynamics of intrinsically disordered proteins (IDPs). Yet, the molecular origin of internal friction has so far been elusive. Here, we investigate whether attractive electrostatic interactions in IDPs modulate internal friction differently than the hydrophobic effect. To this end, we used nanosecond fluorescence correlation spectroscopy (nsFCS) and single-molecule Förster resonance energy transfer (FRET) to quantify the conformation and dynamics of the disordered DNA-binding domains Myc, Max and Mad at different salt concentrations. We find that internal friction effects are stronger when the chain is compacted by electrostatic attractions compared to the hydrophobic effect. Although the effect is moderate, the results show that the heteropolymeric nature of IDPs is reflected in their dynamics.

Graphical abstract

内摩擦力是内在无序蛋白(IDPs)动力学的一个主要因素。然而,内摩擦力的分子起源至今仍难以捉摸。在此,我们研究了 IDPs 中的吸引性静电相互作用是否以不同于疏水效应的方式调节内摩擦力。为此,我们使用纳秒荧光相关光谱(nsFCS)和单分子佛斯特共振能量转移(FRET)来量化无序 DNA 结合域 Myc、Max 和 Mad 在不同盐浓度下的构象和动力学。我们发现,与疏水效应相比,当链被静电吸引压实时,内摩擦效应更强。虽然这种效应是温和的,但结果表明 IDPs 的异聚性质反映在其动力学中。
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引用次数: 0
Hopf bifurcation control of macroscopic traffic flow model considering vehicle braking effect 考虑车辆制动效应的宏观交通流模型的霍普夫分岔控制
IF 1.8 4区 物理与天体物理 Q3 Chemistry Pub Date : 2023-12-20 DOI: 10.1140/epje/s10189-023-00393-5
WenHuan Ai, MingMing Wang, DaWei Liu

Traffic congestion not only has a great impact on people's travel, but also increases energy consumption and air pollution. The control analysis of the macroscopic traffic flow model considering the vehicle braking effect is particularly important, reflecting the impact on the actual traffic flow density wave, so as to better solve the actual traffic problems. In this paper, based on a speed difference optimization speed model, the micro–macro-variables are transformed into a high-order continuous traffic flow model. Then, a random function considering the physical correlation of random components is added to the high-order continuous traffic flow model to establish a random traffic flow model that can reflect the uncertain behavior of traffic flow acceleration or deceleration. Based on this stochastic traffic model, the existence of Hopf bifurcation and bifurcation control of the traffic flow system model considering stochastic characteristics are derived by using Hopf bifurcation theorem. By Chebyshev polynomial approximation method, the stochastic problem of the system is transformed into the bifurcation control problem of its equivalent deterministic system. A feedback controller is designed to delay the occurrence of Hopf bifurcation and control the amplitude of the limit cycle. Without changing the equilibrium point of the system, the complete elimination of Hopf bifurcation can be achieved by controlling the amplitude of the limit cycle. That is, the feedback controller is used to modify the bifurcation characteristics of the system, such as the bifurcation appearing at the equilibrium point in the control system moves forward, moves backward or disappears, so as to achieve the effect of preventing or alleviating traffic congestion.

Graphical abstract

交通拥堵不仅对人们的出行造成很大影响,还会增加能源消耗和空气污染。考虑车辆制动效应的宏观交通流模型的控制分析尤为重要,反映出对实际交通流密度波的影响,从而更好地解决实际交通问题。本文基于速度差优化速度模型,将微观宏观变量转化为高阶连续交通流模型。然后,在高阶连续交通流模型中加入考虑了随机成分物理相关性的随机函数,建立一个能反映交通流加速或减速不确定行为的随机交通流模型。基于该随机交通流模型,利用霍普夫分岔定理推导出考虑随机特性的交通流系统模型的霍普夫分岔存在性和分岔控制。通过切比雪夫多项式近似法,将系统的随机问题转化为等效确定性系统的分岔控制问题。设计了一个反馈控制器来延迟霍普夫分岔的发生并控制极限周期的振幅。在不改变系统平衡点的情况下,通过控制极限周期的振幅可以完全消除霍普夫分岔。也就是说,利用反馈控制器来改变系统的分岔特性,如控制系统中平衡点出现的分岔向前移动、向后移动或消失,从而达到防止或缓解交通拥堵的效果。
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引用次数: 0
Observation of non-equilibrium fluctuation in the shear-stress-driven hemoglobin aggregates 在剪切应力驱动的血红蛋白聚集体中观察到非平衡波动
IF 1.8 4区 物理与天体物理 Q3 Chemistry Pub Date : 2023-12-20 DOI: 10.1140/epje/s10189-023-00389-1
A. Kabiraj, G. Mallik, P. P. Dash, P. Kumari, M. Bandyopadhyay, S. Rath

Non-equilibrium fluctuations caused by the rearrangement of hemoglobin molecules into an aggregate state under shear stress have been investigated experimentally. The flow response under the shear stress (σ) corroborates the presence of contrasting aggregate and rejuvenation states governed by entropy production and consumption events. From the time-dependent shear rate fluctuation studies of aggregate states, the probability distribution function (PDF) of the rate of work done is observed to be spread from negative to positive values with a net positive mean. The PDFs follow the steady-state fluctuation theorem, even at a smaller timescale than that desired by the theorem. The behavior of the effective temperature (Teff) that emerges from a non-equilibrium fluctuation and interconnects with the structural restrictions of the aggregate state of our driven system is observed to be within the boundary of the thermodynamic uncertainty. The increase in Teff with the applied σ illustrates a phenomenal nonlinear power flux-dependent aggregating behavior in a classic bio-molecular-driven system.

Graphical abstract

实验研究了血红蛋白分子在剪切应力作用下重新排列成聚集状态所引起的非平衡波动。剪切应力(σ)下的流动响应证实了在熵产生和消耗事件的支配下,存在着截然不同的聚集和恢复状态。通过对聚集状态的随时间变化的剪切速率波动研究,可以观察到做功速率的概率分布函数(PDF)从负值到正值分布,平均值为净正值。PDF 遵循稳态波动定理,即使时间尺度小于该定理所期望的时间尺度。从非平衡波动中产生的有效温度(Teff)与我们所驱动的系统总体状态的结构限制相互关联,其行为被观察到在热力学不确定性的边界之内。Teff 随应用 σ 的增加而增加,这说明在一个典型的生物分子驱动系统中,存在着惊人的非线性功率通量聚集行为。
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引用次数: 0
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The European Physical Journal E
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