Unusual Nanostructured Morphologies Enabled by Interpolyelectrolyte Complexation of Polyions Bearing Incompatible Nonionic Segments

Saha, Biswajit; Gordievskaya, Yulia D.; De, Priyadarsi; Kramarenko, Elena Yu.

doi:10.1021/acs.macromol.0c02230

Cited by 8 publications

(13 citation statements)

References 54 publications

(70 reference statements)

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“…This is different from the recent computer simulation on interpolyelectrolyte complexes where perforated vesicles with pores near the surface can be formed. 40,41 The existence of vesicle as a equilibrium structure is beyond the well-accepted framework of the globule to pearl-necklace transition in explaining the conformational behavior of a single PE.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

Stable Vesicles Formed by a Single Polyelectrolyte in Salt Solutions

Duan

Wang

2022

Macromolecules

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The conformation of polyelectrolyte (PE) affects a wealth of structural and dynamic properties of PE solutions and is also fundamental to the study of the folding and aggregation of proteins. Here, we theoretically investigate the classical problem of the conformation of a single homogeneous PE in salt solutions. We predict the formation of a stable vesicle structure at intermediate salt concentrations which is beyond the well-accepted framework of globule to pearl-necklace transition. The vesicle formed by a single PE is electrostatic in origin where salt ions play the role of surfactant. We demonstrate that the transitions from vesicle to both spherical globule and pearl-necklace are discontinuous; the latter involves a two-step nucleation with an intermediate vesicle-necklace state. We also calculate the full diagram of state and show the existence of a critical quadruple point that is uniquely determined for PE with a given chain length. The vesicle structure can be well-controlled by the external salt concentration, which facilitates the design of ionic-responsive single-chain nanoparticles.

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Section: ■ Results and Discussionmentioning

confidence: 99%

Stable Vesicles Formed by a Single Polyelectrolyte in Salt Solutions

Duan

Wang

2022

Macromolecules

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“…Saha et al conducted experimental study for PECs consisting of poly(alanine methacryloyloxyethyl ester- co -styrene) and poly(acrylic acid- co -methyl acrylate) . CGMD simulations were performed as a tool assisting the rational design of these materials.…”

Section: Polyion (Mixture Of Polyanion and Polycation)mentioning

confidence: 99%

Coarse-Grained Modeling of Ion-Containing Polymers

2022

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Ion-containing polymers have continued to be an important research focus for several decades due to their use as an electrolyte in energy storage and conversion devices. Elucidation of connections between the mesoscopic structure and multiscale dynamics of the ions and solvent remains incompletely understood. Coarse-grained modeling provides an efficient approach for exploring the structural and dynamical properties of these soft materials. The unique physicochemical properties of such polymers are of broad interest. In this review, we summarize the current development and understanding of the structure–property relationship of ion-containing polymers and provide insights into the design of such materials determined from coarse-grained modeling and simulations accompanying significant advances in experimental strategies. We specifically concentrate on three types of ion-containing polymers: proton exchange membranes (PEMs), anion exchange membranes (AEMs), and polymerized ionic liquids (polyILs). We posit that insight into the similarities and differences in these materials will lead to guidance in the rational design of high-performance novel materials with improved properties for various power source technologies.

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“…Finally, these results were supported by computation simulations using the dissipative particle dynamics (DPD) approach due to its widely established eminence in macromolecular morphological research. 37,38 ■ EXPERIMENTAL SECTION Materials. Cholesterol (Sisco Research Laboratories Pvt.…”

Section: ■ Introductionmentioning

confidence: 99%

Polymerization-Induced Self-Assembly (PISA) Generated Cholesterol-Based Block Copolymer Nano-Objects in a Nonpolar Solvent: Combined Experimental and Simulation Study

Sahoo

Gordievskaya

Bauri³

et al. 2022

Macromolecules

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A family of nanostructured morphologies made of poly(cholesteroyl methacrylate)-b-poly(styrene) (PCMA-b-PS) copolymers were prepared via reversible addition−fragmentation chain transfer (RAFT) dispersion. The number-average degree of polymerization (DP n ) of the PS segment was targeted from 15 to 150 to obtain spherical, wormlike, fibrillar, and vesicular nanoobjects as evidenced from field emission scanning electron microscopy and transmission electron microscopy, supported by dynamic light scattering experiments. Numerous morphologies were also observed by increasing the total solid content (5−25 wt %) of the copolymer. Thermoreversible gel−sol transition was studied with a higher wt % of copolymers. The experimental observations were further supported by computer simulations using dissipative particle dynamics. The developed coarse-grain model, accounting for both the graft architecture and structural heterogeneity of the lyophilic block, made it possible to evaluate the morphological transitions in a block copolymer solution at different block length ratios, different total solid contents, and temperatures to provide an in-depth understanding of the experimental results.

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Unusual Nanostructured Morphologies Enabled by Interpolyelectrolyte Complexation of Polyions Bearing Incompatible Nonionic Segments

Cited by 8 publications

References 54 publications

Stable Vesicles Formed by a Single Polyelectrolyte in Salt Solutions

Stable Vesicles Formed by a Single Polyelectrolyte in Salt Solutions

Coarse-Grained Modeling of Ion-Containing Polymers

Polymerization-Induced Self-Assembly (PISA) Generated Cholesterol-Based Block Copolymer Nano-Objects in a Nonpolar Solvent: Combined Experimental and Simulation Study

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