DPD simulations and experimental study on reduction-sensitive polymeric micelles self-assembled from PCL-SS-PPEGMA for doxorubicin controlled release

Yang, Chufen; Yin, Li; Yuan, Cong; Liu, Wenyao; Guo, Juan; Shuttleworth, Peter S.; Yue, Hangbo; Lin, Wenjing

doi:10.1016/j.colsurfb.2021.111797

Cited by 17 publications

(23 citation statements)

References 47 publications

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“…As shown in Figure 7 H, the system reaches equilibrium at 83,000 steps and the size and the number of micelles would no longer change. 30 The final morphology of simulated micelles is spherical, which is as the same as that observed by TEM.…”

Section: Resultssupporting

confidence: 75%

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Using Amphiphilic Polymer Micelles as the Templates of Antisolvent Crystallization to Produce Drug Nanocrystals

et al. 2022

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Biocompatible and biodegradable amphiphilic polymeric micelles (PLA-CMCS-g-OA) were prepared by surface grafting of oleic acid and polylactic acid onto carboxymethyl chitosan and were used as templates for the crystallization of camptothecin. The camptothecin (CPT) nanocrystals prepared by the novel micelle-templated antisolvent crystallization (mt-ASC) method demonstrated higher crystallinity, narrower particle size distribution, and slower release characteristic than those prepared by conventional antisolvent crystallization (c-ASC) using a high initial concentration and fast addition rate. In particular, the CPT release behavior of mt-ASC products in phosphate buffer solutions presented a pH-responsive characteristic with the increasing release rate of CPT under lower pH conditions. This work confirmed that amphiphilic nanomicelle-templated crystallization was an effective method for preparing drug nanocrystals.

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Section: Resultssupporting

confidence: 75%

“…Finally, the solubility parameter (δ) of each structure was obtained through the trajectory after equilibrium (2000–4000 ps) using the Forcite module. 30 Thus, the Flory–Huggins parameter (χ ij ) was calculated by 31 where V b refers to the mean value of the molar volumes of structures i and j .…”

Section: Simulationsmentioning

confidence: 99%

Using Amphiphilic Polymer Micelles as the Templates of Antisolvent Crystallization to Produce Drug Nanocrystals

et al. 2022

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“…Besides the above systems, the multicore assemblies forming in mixtures of linear copolymers [212], the self-assembling amphiphilic homopolymers [213], side-chain discotic liquid crystalline polymers [214], polymers tethered to nanoparticles and mixtures of copolymers with nanoparticles [215,216] and the 'shape amphiphiles' [217][218][219][220][221] have been successfully studied by DPD. Because the most promising and very intensively studied application of polymeric nanoparticles is the targeted transport of drugs in living organisms and their controlled release [17,21,23,25], several DPD and combined experimental-DPD studies have also been published recently [176,177,183,[222][223][224][225]. Concerning biomedical applications, the relatively recent reviews by Biswas [225] and Chen [226], and particularly the references therein, are of interest.…”

Section: Experiment-inspired and Application-orientated Papersmentioning

confidence: 99%

DPD Modelling of the Self- and Co-Assembly of Polymers and Polyelectrolytes in Aqueous Media: Impact on Polymer Science

et al. 2022

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This review article is addressed to a broad community of polymer scientists. We outline and analyse the fundamentals of the dissipative particle dynamics (DPD) simulation method from the point of view of polymer physics and review the articles on polymer systems published in approximately the last two decades, focusing on their impact on macromolecular science. Special attention is devoted to polymer and polyelectrolyte self- and co-assembly and self-organisation and to the problems connected with the implementation of explicit electrostatics in DPD numerical machinery. Critical analysis of the results of a number of successful DPD studies of complex polymer systems published recently documents the importance and suitability of this coarse-grained method for studying polymer systems.

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“…33 By comparing the doxorubicin (DOX) reduction-responsive release process of copolymer micelles obtained by simulations and experiments, Lin et al demonstrated that the DPD simulation can effectively reflect the morphology and properties of self-assembled copolymer micelles. 34 Hence, DPD simulations are ideally suited to systematically investigate the effects of the microstructure of graft copolymers on the morphology of self-assembled micelles.…”

Section: Introductionmentioning

confidence: 99%

Morphological transitions of micelles induced by the block arrangements of copolymer blocks: dissipative particle dynamics simulation

Zhang

Peng

et al. 2022

Phys. Chem. Chem. Phys.

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DPD simulations and experimental study on reduction-sensitive polymeric micelles self-assembled from PCL-SS-PPEGMA for doxorubicin controlled release

Cited by 17 publications

References 47 publications

Using Amphiphilic Polymer Micelles as the Templates of Antisolvent Crystallization to Produce Drug Nanocrystals

Using Amphiphilic Polymer Micelles as the Templates of Antisolvent Crystallization to Produce Drug Nanocrystals

DPD Modelling of the Self- and Co-Assembly of Polymers and Polyelectrolytes in Aqueous Media: Impact on Polymer Science

Morphological transitions of micelles induced by the block arrangements of copolymer blocks: dissipative particle dynamics simulation

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