Simulation‐Assisted Self‐Assembly of Multicomponent Polymers into Hierarchical Assemblies with Varied Morphologies

Cai, Chunhua; Li, Yongliang; Lin, Jiaping; Wang, Liquan; Lin, Shaoliang; Wang, Xiaosong; Jiang, Tao

doi:10.1002/anie.201210024

Cited by 88 publications

(107 citation statements)

References 48 publications

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“…In the ternary system, the combination of two porous micelles and an onion-like micelle will lead to morphologies such as "pure shell/Janus core", "pure shell/mixed core", "ternary mixed onion", and "mixed shell/pure core"; the combination of a porous micelle and two onion-like micelles will lead to morphologies such as "pure shell/split core", "pure shell/mixed onion core", "split shell/pure core", and "mixed onion shell/pure core". The coassembly mechanism of the ternary blends is basically consistent with that in the binary blends, and we are able to manipulate more specifically the local structure and composition 23 of the shell or core regions in ternary micelles through the third component. Moreover, it is noteworthy that some of these morphologies are obtained from a two-step simulation, during which an alteration of block interactions (intra-or inter-) are needed.…”

Section: Cooperative Self-assembly Of Ternary Ab/ac/ad Systemssupporting

confidence: 53%

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Controllable multicompartment morphologies from cooperative self-assembly of copolymer–copolymer blends

Wang

Sun

et al. 2017

Soft Matter

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Multicompartment nanostructures, such as microcapsules with clearly separated shell and core, are not easily accessible by conventional block copolymer self-assembly. We assess a versatile computational strategy through cooperative assembly of diblock copolymer blends to generate spherical and cylindrical compartmentalized micelles with intricate structures and morphologies. The co-assembly strategy combines the advantages of polymer blending and incompatibility-induced phase separation. Following this strategy, various nanoassemblies of pure AB, binary AB/AC and ternary AB/AC/AD systems such as compartmentalized micelles with sponge-like, Janus, capsule-like and onion-like morphologies can be obtained. The formation and structural adjustment of microcapsule micelles, in which the shell or core can be occupied by either pure or mixed diblock copolymers, were explored. The mechanism involving the separation of shell and core copolymers is attributed to the stretching force differences of copolymers which drive the arrangement of different copolymers in a pathway to minimize the total interfacial energy. Moreover, by adjusting block interactions, an efficient approach is exhibited for regulating the shell or core composition and morphology in microcapsule micelles, such as the transition from the "pure shell/mixed core" morphology to the "mixed shell/pure core" morphology in the AB/AC/AD micelle. This mesoscale simulation study identifies the key factors governing co-assembly of diblock copolymer blends and provides bottom-up insights towards the design and optimization of new a † Electronic Supplementary Information (ESI) available.

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Section: Cooperative Self-assembly Of Ternary Ab/ac/ad Systemssupporting

confidence: 53%

“…Such structures can also be obtained from the cooperative self-assembly of block copolymer blends, such as AB/B [23][24][25][26] , AB/AC [27][28][29][30] , AB/CB 12,[31][32][33][34][35][36][37] and AB/BAB 38,39 . Such structures are the focus of the study here.…”

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confidence: 99%

Controllable multicompartment morphologies from cooperative self-assembly of copolymer–copolymer blends

Wang

Sun

et al. 2017

Soft Matter

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“…Self-assembly, a powerful bottom-up strategy for fabrication of nano-materials with diversified structures, has attracted extensive scientific interests since it is potential in building advanced functional materials for applications in electronics, optics, biotechnology and environmental technology [1][2][3][4]. The self-assemblies are formed by the non-covalent interactions, involving hydrogen bonds, electrostatic interactions, hydrophobic effects, metal-ligand coordination, and host-guest interactions [5].…”

Section: Introductionmentioning

confidence: 99%

Optical properties of amphiphilic copolymer-based self-assemblies

Wang

Lin

Cai

et al. 2015

European Polymer Journal

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“…[34][35][36][37][38] Among the varieties of micelle-forming polymers, polypeptidebased amphiphilic copolymers have attracted great attentions due to their biocompatibility and the advantages in controlling both the structure and function of the supramolecular aggregates. [39][40][41][42][43][44][45][46] Combination drug therapy is attractive in clinic applications, which offers advantages such as maximizing therapeutic effi cacy, overcoming drug resistance and diminishing side effects. [47][48][49][50][51][52][53][54][55] Zhang et al reported targeted nanoparticles for multiple cancer types.…”

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confidence: 99%

Polypeptide‐Based “Smart” Micelles for Dual‐Drug Delivery: A Combination Study of Experiments and Simulations

Chen

Jiang

Cai

et al. 2014

Adv Healthcare Materials

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A dual-drug-loaded micelle is designed and constructed from a mixture of poly(propylene oxide)-b-poly(γ-benzyl-l-glutamate)-b-poly(ethylene glycol) (PPO-b-PBLG-b-PEG) triblock terpolymers and two model drugs, doxorubicin (DOX) and naproxen (Nap). In the micelles, the DOX is chemically linked to the PBLG backbones through an acid-cleavable hydrazone bond, whereas the Nap is physically encapsulated in the cores. The drug loading and releasing behaviors of the dual-drug-loaded micelles as well as single drug-loaded micelles (DOX-conjugated or Nap-loaded micelles) are studied. The structures of micelles are characterized by means of microscopies and dynamic light scattering, and further examined by dissipative particle dynamics (DPD) simulations. It is revealed that the micelles possess a core-shell-corona structure in which the PPO/Nap, PBLG/DOX, and PEG aggregate to form the core, shell, and corona, respectively. In vitro studies reveal that the release of DOX and Nap is pH- and thermosensitive. Such drug releasing behaviors are also examined by DPD simulations, and more information regarding the mechanism is obtained. In addition, the bio-related properties such as cellular uptake of the micelles and biocompatibility of the deliveries are evaluated. The results show that the dual-drug-loaded micelles are biocompatible at normal physiological conditions and retain the anti-cancer efficiency.

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Simulation‐Assisted Self‐Assembly of Multicomponent Polymers into Hierarchical Assemblies with Varied Morphologies

Cited by 88 publications

References 48 publications

Controllable multicompartment morphologies from cooperative self-assembly of copolymer–copolymer blends

Controllable multicompartment morphologies from cooperative self-assembly of copolymer–copolymer blends

Optical properties of amphiphilic copolymer-based self-assemblies

Polypeptide‐Based “Smart” Micelles for Dual‐Drug Delivery: A Combination Study of Experiments and Simulations

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