Self-assembly of emulsion droplets through programmable folding

McMullen, Angus; Basagoiti, Maitane Muñoz; Zeravcic, Zorana; Brujić, Jasna

doi:10.1038/s41586-022-05198-8

Cited by 52 publications

(58 citation statements)

References 66 publications

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“…The optimal protocols and the Brownian dynamics verification of their predicted yield for each of the other structures in Figure 1(a) can be found in the SM. Our computed protocols and expected yields for the rigid structures are consistent with recent experimental findings 73 .…”

Section: A Colloidal Chain Assemblysupporting

confidence: 88%

“…Further, these interactions can be varied in time by modulating the melting temperatures of different strand types 71 and applying a temperature protocol. Depending on the choice of interaction strengths, the system can fold into one of three ground states as well as a number of floppy states, which have been characterized both experimentally 72,73 and via theory and simulation 20 . It has been shown for this system, as well as many others 9,[74][75][76] , that increasing the number of subunit types allows for more efficient assembly of a target structure.…”

Section: Colloidal Chain Foldingmentioning

confidence: 99%

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Optimization of Non-Equilibrium Self-Assembly Protocols Using Markov State Models

Trubiano¹,

F.²

2022

Preprint

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The promise of self-assembly to enable bottom-up formation of materials with prescribed architectures and functions has driven intensive efforts to uncover rational design principles for maximizing the yield of a target structure. Yet, despite many successful examples of self-assembly, ensuring kinetic accessibility of the target structure remains an unsolved problem in many systems. In particular, long-lived kinetic traps can result in assembly times that vastly exceed experimentally accessible timescales. One proposed solution is to design non-equilibrium assembly protocols in which system parameters change over time to avoid such kinetic traps. Here, we develop a framework to combine Markov state model (MSM) analysis with optimal control theory to compute a time-dependent protocol that maximizes the yield of the target structure at a finite-time. We present an adjoint-based gradient descent method that, in conjunction with MSMs for a system as a function of its control parameters, enables efficiently optimizing the assembly protocol. We also describe an interpolation approach to significantly reduce the number of simulations required to construct the MSMs. We demonstrate our approach on two examples; a simple semi-analytic model for the folding of a polymer of colloidal particles, and a more complex model for capsid assembly. Our results show that optimizing time-dependent protocols can achieve significant improvements in yields of selected structures, including equilibrium free energy minima, longlived metastable structures, and transient states.

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Section: A Colloidal Chain Assemblysupporting

confidence: 88%

Section: Colloidal Chain Foldingmentioning

confidence: 99%

Optimization of Non-Equilibrium Self-Assembly Protocols Using Markov State Models

Trubiano¹,

F.²

2022

Preprint

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“…where the activation parameter 6 , where p = 1/2, and r is the bead-bead distance below the cut off r = 1.1d when the potential reaches zero (U rw (r = 1.1d) = 0). These parameters result in a soft core barrier of 2k B T.…”

Section: Purely Steric ''Strong Precession'' MD Modelmentioning

confidence: 99%

“…By this nature, externally applied magnetic fields control the morphological evolution of the crystal. [6][7][8] While crystalline ordering is usually driven by close-packing, 9,10 chemical bonds, 11,12 or magnetic interactions, 13,14 it can also be controlled by particle shape and motion. 15 Such entropic effects emerge when thermal energy is significant allowing non-spherical particles to adopt liquid crystal phases.…”

Section: Introductionmentioning

confidence: 99%

Positional ordering induced by dynamic steric interactions in superparamagnetic rods

Brisbois

Cruz

2023

Soft Matter

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“…ior, to understand and fabricate reconfigurable materials, 20,21 and to store information. 22 However, current realizations of flexible colloidal molecules exclusively feature bonds with an unrestricted range of motion, whereas the bonds of real molecules are often constrained to a specific range of motion due to the orbitals underlying their intramolecular bonds.…”

mentioning

confidence: 99%

Flexible Colloidal Molecules with Directional Bonds and Controlled Flexibility

Shelke¹,

Camerin²,

Marín-Aguilar³

et al. 2023

Preprint

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Colloidal molecules are ideal model systems for mimicking real molecules and can serve as versatile building blocks for the bottom-up self-assembly of flexible and smart materials. While most colloidal molecules are rigid objects, the development of colloidal joints has made it possible to also include conformational flexibility into colloidal molecules. However, their unrestricted range of motion does not capture the restricted motion range and bond directionality that is typical of real molecules.In this work, we create flexible colloidal molecules with an in situ controllable motion range and bond directionality by assembling spherical particles onto cubes functionalized with complementary surface-mobile DNA. We assemble colloidal molecules with different coordination number of spheres by varying the size ratio and find that they feature a constrained range of motion above a critical size ratio. Using theory and simulations, we show that the particle shape together with the multivalent bonds create

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Self-assembly of emulsion droplets through programmable folding

Cited by 52 publications

References 66 publications

Optimization of Non-Equilibrium Self-Assembly Protocols Using Markov State Models

Optimization of Non-Equilibrium Self-Assembly Protocols Using Markov State Models

Positional ordering induced by dynamic steric interactions in superparamagnetic rods

Flexible Colloidal Molecules with Directional Bonds and Controlled Flexibility

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