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Effective simulations of interacting active droplets

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 overco...

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Autores principales: Kulkarni, Ajinkya, Vidal-Henriquez, Estefania, Zwicker, David
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9839783/
https://www.ncbi.nlm.nih.gov/pubmed/36639416
http://dx.doi.org/10.1038/s41598-023-27630-3
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author Kulkarni, Ajinkya
Vidal-Henriquez, Estefania
Zwicker, David
author_facet Kulkarni, Ajinkya
Vidal-Henriquez, Estefania
Zwicker, David
author_sort Kulkarni, Ajinkya
collection PubMed
description 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.
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spelling pubmed-98397832023-01-15 Effective simulations of interacting active droplets Kulkarni, Ajinkya Vidal-Henriquez, Estefania Zwicker, David Sci Rep Article 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. Nature Publishing Group UK 2023-01-13 /pmc/articles/PMC9839783/ /pubmed/36639416 http://dx.doi.org/10.1038/s41598-023-27630-3 Text en © The Author(s) 2023 https://creativecommons.org/licenses/by/4.0/Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Kulkarni, Ajinkya
Vidal-Henriquez, Estefania
Zwicker, David
Effective simulations of interacting active droplets
title Effective simulations of interacting active droplets
title_full Effective simulations of interacting active droplets
title_fullStr Effective simulations of interacting active droplets
title_full_unstemmed Effective simulations of interacting active droplets
title_short Effective simulations of interacting active droplets
title_sort effective simulations of interacting active droplets
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9839783/
https://www.ncbi.nlm.nih.gov/pubmed/36639416
http://dx.doi.org/10.1038/s41598-023-27630-3
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