Cluster Structure and Corralling Effect Driven by Interaction Mismatch in Two Dimensional Mixtures

Zhang, Dongsheng; Carignano, Marcelo A.; Szleifer, Igal

doi:10.1103/physrevlett.96.028701

Cited by 30 publications

(30 citation statements)

References 13 publications

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“…[19][20][21][22] Using coarse-grained and mesoscopic models the interactions between amphiphilic copolymers and both solid support 23 and model membranes 24 have also been simulated. However, despite their widespread use as drug delivery nanocarriers, the effects that amphiphilic copolymers have on the structure of the lipid bilayers have been studied only by means of coarse-grained models 25,26 while, to the best of our knowledge, atomistic simulations of amphiphilic copolymers such as the Pluronics embedded in model lipid membranes have not been reported yet.…”

Section: Introductionmentioning

confidence: 99%

Interactions of PEO–PPO–PEO block copolymers with lipid membranes: a computational and experimental study linking membrane lysis with polymer structure

et al. 2012

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Poly(ethylene oxide) (PEO) and poly(propylene oxide) (PPO) block co-polymers (PEO-PPO-PEO, sold as Pluronics, Poloxamers, Tetronics) are a widely used class of amphiphilic materials for different biological applications. In fact for certain members of the Pluronics series, the interactions of block segments with living cells alter the lipid membrane properties and facilitate the permeation of drugs. A fuller understanding of the molecular mechanisms underpinning these interactions is essential for ensuring their safety and efficacy in biomedical applications and to inform the design of new amphiphilic copolymers for potential use in a clinical setting. In this paper, by means of atomistic molecular dynamics simulations and membrane lysis assays, we investigate the relationship between the molecular conformations of a subset of the Pluronic copolymers (L31, L61, L62 and L64) and their haemolytic activity. Our computational studies suggest that the hydrophilic blocks in these copolymers interact with the polar head groups of lipid molecules, resulting in a predicted modification of the structure of the membranes. Parallel membrane lysis assays in human erythrocytes indicate differences in the rates of haemolysis, as a result of incubation with these polymers, that correlate well with the predicted interactions from the atomistic simulations. The computational data thus provide a putative mechanism to rationalize the available experimental data on membrane lysis by these copolymers and quantitatively agree with haemoglobin release endpoints measured when copolymers with the same molecular weight and structure as of those modelled are incubated with erythrocytes. The data further suggest some new structure-function relationships at the nanoscale that are likely to be of importance in determining the biological activity of these otherwise inert copolymers.

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Section: Introductionmentioning

confidence: 99%

Interactions of PEO–PPO–PEO block copolymers with lipid membranes: a computational and experimental study linking membrane lysis with polymer structure

et al. 2012

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“…When the building blocks of the desired structures are spherical nanoparticles (whether metallic or dielectric) the thermodynamically stable morphology of planar arrays is mostly dense, close-packed superlattice, [6][7][8] though some exceptions were suggested. 9 Yet, non-closed-packed (ncp) two-dimensional networks of nanoparticles may be desired when aiming to design multi-functional materials or devices, such as transparent-and-conducting coatings. In the latter case, cellular networks of NP that offer a connected pathway for conductivity while not affecting the transparency of a target substrate are much desired.…”

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confidence: 99%

Polymer mediated assembly of fullerenes into non-closed packed two-dimensional arrays

Eliyahu

Yerushalmi‐Rozen

2010

Chem. Commun.

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“…Phase separation phenomena at surfaces is well known [15,16,17] and can be studied through simple models of immiscibility. On the other hand, several recent studies have shown that mixtures of immiscible oppositely charged molecules can form regular periodic nanostructures (or microphases) [18,19,20,21].…”

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confidence: 99%

Charged Particles on Surfaces: Coexistence of Dilute Phases and Periodic Structures at Interfaces

2007

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We consider a mixture of two immiscible oppositely charged molecules strongly adsorbed to an interface, with a neutral nonselective molecular background. We determine the coexistence between a high density ionic periodic phase and a dilute isotropic ionic phase. We use a strong segregation approach for the periodic phase and determine the one-loop free energy for the dilute phase. Lamellar and hexagonal patterns are calculated for different charge stoichiometries of the mixture. Molecular dynamics simulations exhibit the predicted phase behavior. The periodic length scale of the solid phase is found to scale as epsilon/(lB psi3/2), where psi is the effective charge density, lB is the Bjerrum length, and epsilon is the cohesive energy.

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Cluster Structure and Corralling Effect Driven by Interaction Mismatch in Two Dimensional Mixtures

Cited by 30 publications

References 13 publications

Interactions of PEO–PPO–PEO block copolymers with lipid membranes: a computational and experimental study linking membrane lysis with polymer structure

Interactions of PEO–PPO–PEO block copolymers with lipid membranes: a computational and experimental study linking membrane lysis with polymer structure

Polymer mediated assembly of fullerenes into non-closed packed two-dimensional arrays

Charged Particles on Surfaces: Coexistence of Dilute Phases and Periodic Structures at Interfaces

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