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相互作用的活性液滴的有效模拟。

Effective simulations of interacting active droplets.

机构信息

Max Planck Institute for Dynamics and Self-Organization, Am Fassberg 17, 37077, Göttingen, Germany.

出版信息

Sci Rep. 2023 Jan 13;13(1):733. doi: 10.1038/s41598-023-27630-3.

Abstract

Droplets form a cornerstone of the spatiotemporal organization of biomolecules in cells. These droplets are controlled using physical processes like chemical reactions and imposed gradients, which are costly to simulate using traditional approaches, like solving the Cahn-Hilliard equation. To overcome this challenge, we here present an alternative, efficient method. The main idea is to focus on the relevant degrees of freedom, like droplet positions and sizes. We derive dynamical equations for these quantities using approximate analytical solutions obtained from a sharp interface limit and linearized equations in the bulk phases. We verify our method against fully-resolved simulations and show that it can describe interacting droplets under the influence of chemical reactions and external gradients using only a fraction of the computational costs of traditional methods. Our method can be extended to include other processes in the future and will thus serve as a relevant platform for understanding the dynamics of droplets in cells.

摘要

液滴是细胞中生物分子时空组织的基石。这些液滴是通过化学反 应和强制梯度等物理过程来控制的,使用传统方法(如求解 Cahn-Hilliard 方程)来模拟这些过程代价高昂。为了克服这一挑战,我们在这里提出了一种替代的、高效的方法。主要思想是关注相关的自由度,如液滴的位置和大小。我们使用从 sharp interface limit 和体相线性化方程中获得的近似解析解来推导这些量的动力学方程。我们通过与完全解析的模拟进行对比来验证我们的方法,并表明它可以使用传统方法计算成本的一小部分来描述在化学反应和外部梯度影响下相互作用的液滴。我们的方法可以在未来扩展到包括其他过程,并因此成为理解细胞中液滴动力学的重要平台。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae19/9839783/01ac910036f0/41598_2023_27630_Fig1_HTML.jpg

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