Qiaoyue Chen, Kun Tian, Ruiqi Zhu, Mingming Ding, Zhanwen Xu
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引用次数: 0
Abstract
Combining Brownian dynamics simulations and self-consistent field theory, we demonstrate that stable assembled structures, such as vesicles, toroidal micelles, bowl-like micelles, sheet-like micelles, non-spherical vesicles, and cylindrical micelles, are dependent on the molecular parameters of amphiphilic comb-like copolymers. Importantly, we find that vesicle formation involves two intermediate states, sheet-like and bowl-like micelles, and the difference in their free energies is minimal, which illustrates the coexisting phase between them. Moreover, the assembled vesicles can be modulated in the membrane thickness with overall size, unchanged only by adjusting the backbone length. We also demonstrate the coexistence of toroidal and cylindrical micelles because neither structure has a significant advantage over the other in free energy. Our work points out how to obtain different morphologies by adjusting the molecular parameters of amphiphilic comb-like copolymers, instilling confidence in their potential for stable drug encapsulation and enhanced targeted drug delivery.
期刊介绍:
Polymers (ISSN 2073-4360) is an international, open access journal of polymer science. It publishes research papers, short communications and review papers. Our aim is to encourage scientists to publish their experimental and theoretical results in as much detail as possible. Therefore, there is no restriction on the length of the papers. The full experimental details must be provided so that the results can be reproduced. Polymers provides an interdisciplinary forum for publishing papers which advance the fields of (i) polymerization methods, (ii) theory, simulation, and modeling, (iii) understanding of new physical phenomena, (iv) advances in characterization techniques, and (v) harnessing of self-assembly and biological strategies for producing complex multifunctional structures.