entropy production rate

  • 文章类型: Journal Article
    我们介绍EPR-Net,一种新颖而有效的深度学习方法,解决了生物物理学中的一个关键挑战:为高维非平衡稳态系统构建潜在景观。EPR-Net利用了一个很好的数学事实,即所需的负电势梯度只是加权内积空间中基础动力学驱动力的正交投影。值得注意的是,我们的损失函数与稳定熵生产率(EPR)密切相关,能够同时进行景观建设和EPR估算。我们为噪声小的系统引入了增强的学习策略,并扩展我们的框架,以统一的方式包括降维和状态相关的扩散系数情况。对基准问题的比较评估证明了更高的准确性,与现有方法相比,EPR-Net的有效性和鲁棒性。我们将我们的方法应用于挑战生物物理问题,例如八维(8D)极限环和52D多稳定性问题,它提供了准确的解决方案和对建筑景观的有趣见解。凭借其多功能性和强大功能,EPR-Net为生物物理学中的各种景观建设问题提供了有希望的解决方案。
    We present EPR-Net, a novel and effective deep learning approach that tackles a crucial challenge in biophysics: constructing potential landscapes for high-dimensional non-equilibrium steady-state systems. EPR-Net leverages a nice mathematical fact that the desired negative potential gradient is simply the orthogonal projection of the driving force of the underlying dynamics in a weighted inner-product space. Remarkably, our loss function has an intimate connection with the steady entropy production rate (EPR), enabling simultaneous landscape construction and EPR estimation. We introduce an enhanced learning strategy for systems with small noise, and extend our framework to include dimensionality reduction and the state-dependent diffusion coefficient case in a unified fashion. Comparative evaluations on benchmark problems demonstrate the superior accuracy, effectiveness and robustness of EPR-Net compared to existing methods. We apply our approach to challenging biophysical problems, such as an eight-dimensional (8D) limit cycle and a 52D multi-stability problem, which provide accurate solutions and interesting insights on constructed landscapes. With its versatility and power, EPR-Net offers a promising solution for diverse landscape construction problems in biophysics.
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  • 文章类型: Journal Article
    在信息处理和传输中,错误是不可避免的。虽然纠错在工程中被广泛研究,基本的物理学还没有完全理解。由于涉及的复杂性和能量交换,信息传递应被视为一个非平衡过程。在这项研究中,我们使用无记忆通道模型研究了非平衡动力学对误差校正的影响。我们的发现表明,错误校正随着非平衡的增加而改善,并且可以利用热力学成本来提高校正质量。我们的结果启发了结合非平衡动力学和热力学的纠错新方法,并强调了非平衡效应在纠错设计中的重要性,特别是在生物系统中。
    Errors are inevitable in information processing and transfer. While error correction is widely studied in engineering, the underlying physics is not fully understood. Due to the complexity and energy exchange involved, information transmission should be considered as a nonequilibrium process. In this study, we investigate the effects of nonequilibrium dynamics on error correction using a memoryless channel model. Our findings suggest that error correction improves as nonequilibrium increases, and the thermodynamic cost can be utilized to improve the correction quality. Our results inspire new approaches to error correction that incorporate nonequilibrium dynamics and thermodynamics, and highlight the importance of the nonequilibrium effects in error correction design, particularly in biological systems.
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  • 文章类型: Journal Article
    本文介绍了运动学条件下不断发展的界面和膜中粘性耗散的理论和模拟,被称为散光流,在自然界的生长过程中普遍存在。基本目的是表征和解释曲率和形状演化之间的潜在联系,以及由于粘性弯曲和扭转率而产生的熵产生率。此处使用的膜耗散模型称为Boussinesq-Scriven流体模型。由于形态学进化的标准方法是基于平均值,高斯和偏曲率,具有弯曲度的形状,本文介绍了一种新颖的解耦方法,即形状与曲率无关。在这个曲线形状的景观中,恒定均匀法向速度下的熵产生面随着生长而衰减,但随着形状的变化而振荡。鞍形和球形是最小值,而圆柱形斑块是最大值。熵产生表面上的散光流动轨迹,显示只有圆柱体和球体在恒定形状下生长。根据初始条件,从圆柱形状的小偏差向球形或鞍形演变,耗散率降低。总之,结果和分析提供了变形粘性膜和表面中形状演变与粘性耗散之间新颖而重要的关系。
    This paper presents theory and simulation of viscous dissipation in evolving interfaces and membranes under kinematic conditions, known as astigmatic flow, ubiquitous during growth processes in nature. The essential aim is to characterize and explain the underlying connections between curvedness and shape evolution and the rate of entropy production due to viscous bending and torsion rates. The membrane dissipation model used here is known as the Boussinesq-Scriven fluid model. Since the standard approaches in morphological evolution are based on the average, Gaussian and deviatoric curvatures, which comingle shape with curvedness, this paper introduces a novel decoupled approach whereby shape is independent of curvedness. In this curvedness-shape landscape, the entropy production surface under constant homogeneous normal velocity decays with growth but oscillates with shape changes. Saddles and spheres are minima while cylindrical patches are maxima. The astigmatic flow trajectories on the entropy production surface, show that only cylinders and spheres grow under the constant shape. Small deviations from cylindrical shapes evolve towards spheres or saddles depending on the initial condition, where dissipation rates decrease. Taken together the results and analysis provide novel and significant relations between shape evolution and viscous dissipation in deforming viscous membrane and surfaces.
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  • 文章类型: Journal Article
    近年来,非傅立叶热传导中的熵和相关概念的广义表达式引起了越来越多的关注。基于标准和分数阶声子玻尔兹曼输运方程(BTE),我们研究熵函数,包括熵密度,熵通量和熵生产率。使用弛豫时间近似和幂级数展开,这些熵概念的宏观近似。对于标准BTE,我们的结果可以恢复经典不可逆热力学(CIT)和扩展不可逆热力学(EIT)的熵框架,就好像存在明确的有效热导率一样。对于与广义Cattaneo方程(GCE)类相对应的分数BTE,熵通量和熵生产率将偏离CIT和EIT中的形式。在这些情况下,熵通量和熵生产率将包含分数阶算子,这反映了记忆效应。
    Generalized expressions of the entropy and related concepts in non-Fourier heat conduction have attracted increasing attention in recent years. Based on standard and fractional phonon Boltzmann transport equations (BTEs), we study entropic functionals including entropy density, entropy flux and entropy production rate. Using the relaxation time approximation and power series expansion, macroscopic approximations are derived for these entropic concepts. For the standard BTE, our results can recover the entropic frameworks of classical irreversible thermodynamics (CIT) and extended irreversible thermodynamics (EIT) as if there exists a well-defined effective thermal conductivity. For the fractional BTEs corresponding to the generalized Cattaneo equation (GCE) class, the entropy flux and entropy production rate will deviate from the forms in CIT and EIT. In these cases, the entropy flux and entropy production rate will contain fractional-order operators, which reflect memory effects.
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  • 文章类型: Journal Article
    催化表面反应网络表现出非线性耗散现象,比如双稳态。宏观速率定律描述预测,反应系统无限期地驻留在双稳态区域的两个稳态分支之一上。然而,催化表面越小,覆盖率波动的影响越大,考虑到它们的振幅通常缩放为系统大小的平方根。因此,可以观察到稳态之间波动引起的转变。在这项工作中,研究了小表面上双稳态催化CO氧化的模型。在简要介绍了平均随机建模框架及其相应的确定性极限之后,我们讨论了双稳态的非平衡条件。熵生产率,测量系统中耗散的重要热力学量,在两种方法中进行了比较。我们的结论是,在我们的催化模型中,最有利的非平衡稳态不需要具有最大或最小熵生产率的状态。
    Catalytic surface reaction networks exhibit nonlinear dissipative phenomena, such as bistability. Macroscopic rate law descriptions predict that the reaction system resides on one of the two steady-state branches of the bistable region for an indefinite period of time. However, the smaller the catalytic surface, the greater the influence of coverage fluctuations, given that their amplitude normally scales as the square root of the system size. Thus, one can observe fluctuation-induced transitions between the steady-states. In this work, a model for the bistable catalytic CO oxidation on small surfaces is studied. After a brief introduction of the average stochastic modelling framework and its corresponding deterministic limit, we discuss the non-equilibrium conditions necessary for bistability. The entropy production rate, an important thermodynamic quantity measuring dissipation in a system, is compared across the two approaches. We conclude that, in our catalytic model, the most favorable non-equilibrium steady state is not necessary the state with the maximum or minimum entropy production rate.
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  • 文章类型: Journal Article
    The analysis of cellular signaling cascades based on information thermodynamics has recently developed considerably. A signaling cascade may be considered a binary code system consisting of two types of signaling molecules that carry biological information, phosphorylated active, and non-phosphorylated inactive forms. This study aims to evaluate the signal transduction step in cascades from the viewpoint of changes in mixing entropy. An increase in active forms may induce biological signal transduction through a mixing entropy change, which induces a chemical potential current in the signaling cascade. We applied the fluctuation theorem to calculate the chemical potential current and found that the average entropy production current is independent of the step in the whole cascade. As a result, the entropy current carrying signal transduction is defined by the entropy current mobility.
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  • 文章类型: Journal Article
    间充质基质细胞(MSC)获自人骨髓并在补充了人血小板裂解物的培养物中扩增。一旦半汇合,将细胞接种在固体胶原支架中,所述固体胶原支架被产生3D细胞支架的细胞快速定殖。这里,他们获得了肌成纤维细胞表型,当暴露于适当的化学刺激时,发达的张力和细胞缩短,类似于横纹肌和平滑肌细胞。肌成纤维细胞含有分子马达-非肌肉肌球蛋白IIA型(NMMIIA),其跨桥(CB)动力学与横纹肌和平滑肌肌球蛋白相比显着缓慢。使用Huxley方程确定NMMIIA的分子机械性能。感谢大量的NMMIIA分子,我们确定了MSCs的统计力学(SM),使用大规范集成,这使得有可能计算各种热力学实体,如化学亲和力,统计熵,内部能量,热力学流动,热力学力,和熵生产率。在热力学力和热力学流动之间观察到的线性关系允许建立在胶原支架中的MSC-负载处于接近平衡的稳定状态(亲和力^RT),还将MSC接种在用三肽Arg-Gly-Asp(RGD)官能化的固体胶原支架中。这引起了NMMIIASM的重大变化,特别是通过增加熵产生率。总之,充满MSC的胶原支架可以被视为在接近平衡的线性状态下运行的非肌肉收缩生物工程组织。其SM可以基本上被RGD肽修饰。
    Mesenchymal stromal cells (MSCs) were obtained from human bone marrow and amplified in cultures supplemented with human platelet lysate. Once semi-confluent, cells were seeded in solid collagen scaffolds that were rapidly colonized by the cells generating a 3D cell scaffold. Here, they acquired a myofibroblast phenotype and when exposed to appropriate chemical stimulus, developed tension and cell shortening, similar to those of striated and smooth muscle cells. Myofibroblasts contained a molecular motor-the non-muscle myosin type IIA (NMMIIA) whose crossbridge (CB) kinetics are dramatically slow compared with striated and smooth muscle myosins. Huxley\'s equations were used to determine the molecular mechanical properties of NMMIIA. Thank to the great number of NMMIIA molecules, we determined the statistical mechanics (SM) of MSCs, using the grand canonical ensemble which made it possible to calculate various thermodynamic entities such as the chemical affinity, statistical entropy, internal energy, thermodynamic flow, thermodynamic force, and entropy production rate. The linear relationship observed between the thermodynamic force and the thermodynamic flow allowed to establish that MSC-laden in collagen scaffolds were in a near-equilibrium stationary state (affinity ≪ RT), MSCs were also seeded in solid collagen scaffolds functionalized with the tripeptide Arg-Gly-Asp (RGD). This induced major changes in NMMIIA SM particularly by increasing the rate of entropy production. In conclusion, collagen scaffolds laden with MSCs can be viewed as a non-muscle contractile bioengineered tissue operating in a near-equilibrium linear regime, whose SM could be substantially modified by the RGD peptide.
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  • 文章类型: Journal Article
    Studies have reported that bio-cellular signal transduction can be investigated based on thermodynamics. This short article aims to consider signal transduction carried out by signaling molecules from the perspective of non-equilibrium thermodynamics. Under conditions in which total entropy production rate was minimized, the entropy production rate per signaling molecule was conserved independently of the steps during signal transduction. Accordingly, the conserved production rate can be defined as the channel capacity of the given signal transduction cascade. Non- equilibrium thermodynamics provides a theoretical framework for cell signal transduction.
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  • 文章类型: Journal Article
    A novel approach to flow injection analysis (FIA) was proposed based on the main principles of linear non-equilibrium thermodynamics (LNET). The basic principles of I. Prigogine theory for dissipative structures, internal entropy production rates, thermodynamic forces and fluxes arising in flow systems were shown to be applicable to FIA. The practical application of this novel FIA approach allowed the use of the extent of analytical reaction and the entropy production rates for flow system optimization, and in-depth understanding of the steady state. The FIA approach was also found to be a suitable technique for and characterizes its quality, explaining the peculiarities of short-term and long-term steady states in a FIA system and their role for reproducibility of practical measurements. The practical application o the FIA approach was found to support its theoretical principles and allow formulating an original manner to derive a basic equation in FIA theory.
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  • 文章类型: Journal Article
    The thermodynamical formalism of irreversible processes offers a theoretical framework appropriate to explain the complexity observed at the macroscopic level of dynamic systems. In this context, together with the theory of complex systems and systems biology, the thermodynamical formalism establishes an appropriate conceptual framework to address the study of biological systems, in particular cancer.The Chapter is organized as follows: In Subheading 1, an integrative view of these disciplines is offered, for the characterization of the emergence and evolution of cancer, seen as a self-organized dynamic system far from the thermodynamic equilibrium. Development of a thermodynamic framework, based on the entropy production rate, is presented in Subheading 2. Subheading 3 is dedicated to all tumor growth, as seen through a \"phase transitions\" far from equilibrium. Subheading 4 is devoted to complexity of cancer glycolysis. Finally, some concluding remarks are presented in Subheading 5.
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