Biological matter is often compartmentalized by soft membranes that dynamically change their shape in response to chemical and mechanical cues. Deformable soft-matter-based nanoscale membranes or nanocontainers that mimic this behavior can be used as drug-delivery carriers that can adapt to evolving physiological conditions, or as dynamic building blocks for the design of novel hierarchical materials via assembly engineering. Here, we connect the intrinsic features of charged deformable nanocontainers such as their size, charge, surface tension, and elasticity with their equilibrium shapes for a wide range of solution conditions using molecular dynamics simulations. These links identify the fundamental mechanisms that establish the chemical and materials design control strategies for modulating the equilibrium shape of these nanocontainers. We show that flexible nanocontainers of radii ranging from 10–20 nm exhibit sphere-to-rod-to-disc shape transitions yielding rods and discs over a wide range of aspect ratio λ (0.3 < λ < 5). The shape transitions can be controlled by tuning salt and/or surfactant concentration as well as material elastic parameters. The shape changes are driven by reduction in the global electrostatic energy and are associated with dramatic changes in local surface elastic energy distributions. To illustrate the shape transition mechanisms, exact analytical calculations for idealized spheroidal nanocontainers in salt-free conditions are performed. Explicit counterion simulations near nanocontainers and associated Manning model calculations provide an assessment of the stability of observed shape deformations in the event of ion condensation.
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Mechanochemical induction of wrinkling morphogenesis on elastic shells
Morphogenetic dynamics of tissue sheets require coordinated cell shape changes regulated by global patterning of mechanical forces. Inspired by such biological phenomena, we propose a minimal mechanochemical model based on the notion that cell shape changes are induced by diffusible biomolecules that influence tissue contractility in a concentration-dependent manner – and whose concentration is in turn affected by the macroscopic tissue shape. We perform computational simulations of thin shell elastic dynamics to reveal propagating chemical and three-dimensional deformation patterns arising due to a sequence of buckling instabilities. Depending on the concentration threshold that actuates cell shape change, we find qualitatively different patterns. The mechanochemically coupled patterning dynamics are distinct from those driven by purely mechanical or purely chemical factors, and emerge even without diffusion. Using numerical simulations and theoretical arguments, we analyze the elastic instabilities that result from our model and provide simple scaling laws to identify wrinkling morphologies.
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- PAR ID:
- 10336460
- Date Published:
- Journal Name:
- Soft Matter
- Volume:
- 17
- Issue:
- 18
- ISSN:
- 1744-683X
- Page Range / eLocation ID:
- 4738 to 4750
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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- Free Publicly Accessible Full Text
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Accepted Manuscript1.0
- Journal Article:
- https://doi.org/10.1039/D1SM00003A
