Shape Transformations and Self-Assembly of Hairy Particles under Confinement

Borówko, M.; Staszewski, T.

doi:10.3390/ijms23147919

Cited by 5 publications

(8 citation statements)

References 58 publications

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“…It was shown that adsorption of isotropic particles "on chains" caused reconfiguration of the tethered chains, leading to a variety of morphologies, including typical core-shell structures and octopus-like and corn-like structures [192]. The impact of the solid surface on the configurations of tethered polymers was also analyzed [194,195]. Furthermore, numerous studies have focused on the selfassembly of hairy particles in bulk systems, as these particles are promising building blocks for the production of novel nanocomposites [196][197][198].…”

Section: Individual Hairy Particles At Fluid-fluid Interfacesmentioning

confidence: 99%

“…Figure 6 shows equilibrium configurations of Janus-like hairy particles at the liquid-liquid interface obtained from molecular dynamic simulations. The interface and the hairy particles were modelled according with procedures described in works [153,194,195]. Interactions between "atoms" are modeled by the shifted-force Jenard-Jones potentials.…”

Section: Individual Hairy Particles At Fluid-fluid Interfacesmentioning

confidence: 99%

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Hybrid Nanoparticles at Fluid–Fluid Interfaces: Insight from Theory and Simulation

Borówko

Staszewski

2023

IJMS

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Hybrid nanoparticles that combine special properties of their different parts have numerous applications in electronics, optics, catalysis, medicine, and many others. Of the currently produced particles, Janus particles and ligand-tethered (hairy) particles are of particular interest both from a practical and purely cognitive point of view. Understanding their behavior at fluid interfaces is important to many fields because particle-laden interfaces are ubiquitous in nature and industry. We provide a review of the literature, focusing on theoretical studies of hybrid particles at fluid–fluid interfaces. Our goal is to give a link between simple phenomenological models and advanced molecular simulations. We analyze the adsorption of individual Janus particles and hairy particles at the interfaces. Then, their interfacial assembly is also discussed. The simple equations for the attachment energy of various Janus particles are presented. We discuss how such parameters as the particle size, the particle shape, the relative sizes of different patches, and the amphiphilicity affect particle adsorption. This is essential for taking advantage of the particle capacity to stabilize interfaces. Representative examples of molecular simulations were presented. We show that the simple models surprisingly well reproduce experimental and simulation data. In the case of hairy particles, we concentrate on the effects of reconfiguration of the polymer brushes at the interface. This review is expected to provide a general perspective on the subject and may be helpful to many researchers and technologists working with particle-laden layers.

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Section: Individual Hairy Particles At Fluid-fluid Interfacesmentioning

confidence: 99%

Section: Individual Hairy Particles At Fluid-fluid Interfacesmentioning

confidence: 99%

Hybrid Nanoparticles at Fluid–Fluid Interfaces: Insight from Theory and Simulation

Borówko

Staszewski

2023

IJMS

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“…We also introduce the following assumptions [26,27,44]: (i) interactions of the cores with the remaining "atoms" are purely repulsive, (ii) interactions between the same "atoms" are attractive (𝜀 * 𝑖𝑖 = 1). We consider the particles interacting (i) "symmetrically" and (ii) "asymmetrically" with both liquids.…”

Section: Resultsmentioning

confidence: 99%

“…The amount of adsorption on solids depends on the size and shape of the particles. Therefore, changes in the shape of hairy particles on the solid surfaces and inside the pores were investigated [23][24][25][26][27].…”

Section: Introductionmentioning

confidence: 99%

Shape changes of a single hairy particle with mobile ligands at a liquid-liquid interface

Staszewski,

Borówko

2024

Condens. Matter Phys.

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We investigate rearrangements of a single hairy particle at a liquid-liquid interface using coarse-grained molecular dynamics simulations. We consider the particles with the same (symmetrical interactions) and different (asymmetrical interactions) affinity to the liquids. We show how ligand mobility affects the behavior of the hairy particle at the liquid-liquid interface. We found that such a hairy particle can take various shapes at the interface. For example, a Janus-like snowman consisting of a segment cluster and a bare part of the core, Saturn-like structures, and the core with a wide “plume” on one side. A configuration of the particle at the interface is characterized by the vertical displacement distance and the orientation of the particle relative to the phase boundary. The selected descriptors are used to characterize the shape of the segment cloud. We found that the shape of a particle and its localization at the interface can be determined by tuning the interactions with the liquids.

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“…Various self-assembled structures of NPs have been revealed by simulations [ 22 , 23 , 24 , 25 ] and experiments [ 26 ]. For example, Janus NPs—also known as patchy NPs—are representative modified NP systems that exhibit unprecedented unique self-assembled structures.…”

Section: Introductionmentioning

confidence: 99%

Theoretical Design of a Janus-Nanoparticle-Based Sandwich Assay for Nucleic Acids

Sato

Esashika

Yamamoto

et al. 2022

IJMS

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Nanoparticles exhibit diverse self-assembly attributes and are expected to be applicable under unique settings. For instance, biomolecules can be sandwiched between dimer nanoparticles and detected by surface-enhanced Raman scattering. Controlling the gap between extremely close dimers and stably capturing the target molecule in the gap are crucial aspects of this strategy. Therefore, polymer-tethered nanoparticles (PTNPs), which show promise as high-performance materials that exhibit the attractive features of both NPs and polymers, were targeted in this study to achieve stable biomolecule sensing. Using coarse-grained molecular dynamics simulations, the dependence of the PTNP interactions on the length of the grafted polymer, graft density, and coverage ratio of a hydrophobic tether were examined. The results indicated that the smaller the tether length and graft density, the smaller was the distance between the PTNP surfaces (Rsurf). In contrast, Rsurf decreased as the coverage ratio of the hydrophobic surface (ϕ) increased. The sandwiching probability of the sensing target increased in proportion to the coverage ratio. At high ϕ values, the PTNPs aggregated into three or more particles, which hindered their sensing attributes. These results provide fundamental insight into the sensing applications of NPs and demonstrate the usefulness of PTNPs in sensing biomolecules.

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Shape Transformations and Self-Assembly of Hairy Particles under Confinement

Cited by 5 publications

References 58 publications

Hybrid Nanoparticles at Fluid–Fluid Interfaces: Insight from Theory and Simulation

Hybrid Nanoparticles at Fluid–Fluid Interfaces: Insight from Theory and Simulation

Shape changes of a single hairy particle with mobile ligands at a liquid-liquid interface

Theoretical Design of a Janus-Nanoparticle-Based Sandwich Assay for Nucleic Acids

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