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Dissipative particle dynamic simulation on the assembly and release of siRNA/polymer/gold nanoparticles based polyplex
AIChE Journal ( IF 3.7 ) Pub Date : 2017-09-27 10:50:49 , DOI: 10.1002/aic.15961
Xiaona Xie 1 , Shouping Xu 1 , Pihui Pi 1 , Jiang Cheng 1 , Xiufang Wen 1 , Xuan Liu 2 , Shengnian Wang 2
Affiliation  

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, 2017

中文翻译:

基于siRNA /聚合物/金纳米颗粒的复合物的组装和释放的耗散颗粒动力学模拟

耗散粒子动力学模拟用于揭示pH敏感聚合物/金纳米粒子(AuNPs)复合物中小干扰RNA(siRNA)的加载/释放。模拟了这些多链体在各种Au / siRNA质量比,原始AuNPs大小,聚合物类型和pH值下的构象动力学,并将其与实验结果进行了比较。在中性条件下(pH = 7.4),在siRNA /聚乙烯亚胺/顺式乌头酸酐官能化的聚(烯丙胺)/聚乙烯亚胺/ 11-巯基癸酸-金纳米颗粒(siRNA / PEI / PAH-Cit / PEI / MUA-AuNP)复合物。以高的Au / siRNA质量比和/或小的原始AuNPs尺寸获得了大型的复合物。还在细胞内环境(pH = 5.0)中模拟了从AuNPs-polyplex系统释放siRNA的动力学。遵循溶胀-脱细胞-释放机制,同时发现涉及电荷逆转PAH-Cit的多链体的siRNA释放要快得多。这些发现与实验结果在质量上是一致的,并且可能为以后设计和优化siRNA或其他分子探针的转运载体提供有价值的指导。©2017美国化学工程师学会AIChE的Ĵ,2017年
更新日期:2017-10-02
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