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Dissipative particle dynamic simulation on the assembly and release of siRNA/polymer/gold nanoparticles based polyplex
Author(s) -
Xie Xiaona,
Xu Shouping,
Pi Pihui,
Cheng Jiang,
Wen Xiufang,
Liu Xuan,
Wang Shengnian
Publication year - 2018
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.15961
Subject(s) - dissipative particle dynamics , colloidal gold , chemistry , nanoparticle , polymer , biophysics , cationic polymerization , small interfering rna , particle (ecology) , micelle , nanotechnology , chemical engineering , polymer chemistry , materials science , rna , biochemistry , organic chemistry , aqueous solution , geology , engineering , oceanography , gene , biology
Dissipative particle dynamics simulation is used to reveal the loading/release of small interfering RNA (siRNA) in pH‐sensitive polymers/gold nanoparticles (AuNPs) polyplex. The conformation dynamics of these polyplex at various Au/siRNA mass ratios, the original AuNPs sizes, polymer types, and pH values are simulated and compared to experimental results. At neutral conditions (pH = 7.4), spherical micelles with a multilayer structure are formed in siRNA/polyethyleneimine/cis‐aconitic anhydride functionalized poly(allylamine)/polyethyleneimine/11‐mercaptoundecanoic acid‐gold nanoparticle (siRNA/PEI/PAH‐Cit/PEI/MUA‐AuNP) polyplex. Large polyplex are obtained with high Au/siRNA mass ratio and/or small original AuNPs size. The release dynamics of siRNA from AuNPs‐polyplex systems were also simulated in the intracellular environment (pH = 5.0). A swelling‐demicellization‐releasing mechanism is followed while the release of siRNA is found much faster for polyplex involving charge‐reversal PAH‐Cit. These findings are qualitatively consistent with the experimental results and may provide valuable guidance in later design and optimization of delivery carriers for siRNA or other molecule probes. © 2017 American Institute of Chemical Engineers AIChE J , 64: 810–821, 2018