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Dissipative Particle Dynamics Study on Aggregation of MPEG‐PAE‐PLA Block Polymer Micelles Loading Doxorubicine
Author(s) -
Yang Chufen,
Sun Yao,
Zhang Lijuan
Publication year - 2012
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.201200629
Subject(s) - micelle , dissipative particle dynamics , chemistry , polymer , amphiphile , particle size , polymerization , chemical engineering , copolymer , polymer chemistry , organic chemistry , aqueous solution , engineering
To guide the molecular design of the pH‐sensitive triblock amphiphilic polymer MPEG‐PAE‐PLA and the formula design of its doxorubicine (DOX)‐loaded micelles, dissipative particle dynamics (DPD) simulations are employed to investigate the aggregation behaviors of the DOX‐loaded micelles. The simulation results showed that the aggregate morphologies of micelles and DOX distribution are influenced by degree of polymerization of blocks, and the proposed structure of polymer is MPEG 44 ‐PAE 3 ‐PLA 4 . With different contents of polymer or DOX, different aggregate morphologies of the micelles, like microsphere, spindle/column, reticulation or lamella are observed. To prepare the micro‐spherical DOX‐loaded micelles, the polymer content is proposed as 10%–15%, and the DOX content less than 10%.