2017
DOI: 10.1002/aic.15961
|View full text |Cite
|
Sign up to set email alerts
|

Dissipative particle dynamic simulation on the assembly and release of siRNA/polymer/gold nanoparticles based polyplex

Abstract: 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 … Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
2
1
1
1

Citation Types

0
7
0

Year Published

2018
2018
2024
2024

Publication Types

Select...
6
1

Relationship

0
7

Authors

Journals

citations
Cited by 14 publications
(7 citation statements)
references
References 54 publications
0
7
0
Order By: Relevance
“…There is a correlation between a ij and Florry–Huggins parameter χ ij where a ii is the interaction parameter between the same beads; it can be calculated through the formula given by Groot and Rabone: where k –1 is the dimensionless compressibility factor for water at room temperature and pressure with the value of 15.98; N m is the number of water molecules represented by one DPD water bead (here N m = 3); α = 0.01 ± 0.001; The bead density ρ is set to 3, so we can get a ii = 78. χ ij can be calculated by the BLENDS module of Materials Studio 7.0 software. Combining Monte Carlo simulations and a revised Flory–Huggins model, BLENDS module calculates the χ ij from the blend energy and has been applied in DPD studies. , Table shows the repulsive parameters calculated by COMPASS II , force field at 298 K. The calculation result shows that all a ij between D and polymer beads are smaller than those between W and polymer beads. This indicates that DMF is the good solvent for the polymer while water is nonsolvent.…”
Section: Simulation Methodsmentioning
confidence: 99%
“…There is a correlation between a ij and Florry–Huggins parameter χ ij where a ii is the interaction parameter between the same beads; it can be calculated through the formula given by Groot and Rabone: where k –1 is the dimensionless compressibility factor for water at room temperature and pressure with the value of 15.98; N m is the number of water molecules represented by one DPD water bead (here N m = 3); α = 0.01 ± 0.001; The bead density ρ is set to 3, so we can get a ii = 78. χ ij can be calculated by the BLENDS module of Materials Studio 7.0 software. Combining Monte Carlo simulations and a revised Flory–Huggins model, BLENDS module calculates the χ ij from the blend energy and has been applied in DPD studies. , Table shows the repulsive parameters calculated by COMPASS II , force field at 298 K. The calculation result shows that all a ij between D and polymer beads are smaller than those between W and polymer beads. This indicates that DMF is the good solvent for the polymer while water is nonsolvent.…”
Section: Simulation Methodsmentioning
confidence: 99%
“…[ 100–103 ] In a similar approach as in ternary PIC micelles, PEI‐coated Au nanoparticles were covered with a charge‐reversing cis‐aconitic anhydride functionalized poly(allylamine) (PAH‐Cit) and siRNA via layer‐by‐layer assembly process. [ 104,105 ] The charge reversal polymer coated nanoparticles were found to perform better in eGFP and lamin A/C gene suppression compared to the non‐charge reversing control complex and commercial PEI. Due to the anionic nature, cytotoxicity of nanoparticles was found to be low when evaluated via MTT assay.…”
Section: Structural Designs Of Charge‐converting Complexation Scaffoldsmentioning
confidence: 99%
“…Plenty of studies on the DPD simulation of nanoparticle–polymer system self-assembly have been reported. Zhang et al studied the self-assembly of drug-loaded micelles containing gold nanoparticles, which possess the properties of medical imaging and can help cancer detection and treatment. Wen et al used DPD simulation to elaborate on the effect of the mass ratio and the size of gold nanoparticles on the self-assembly of the polymer–RNA systems. Xu et al revealed the physical mechanism of the loading of carbon quantum dots by PEG micelles.…”
Section: Application Scope Of Dpd Simulationmentioning
confidence: 99%
“…(A) siRNA/PEI/PAH-Cit/PEI/MUA-AuNP micelle. Reproduced from ref with permission from John Wiley and Sons. (B) PS-PEO/QDs micelle.…”
Section: Application Scope Of Dpd Simulationmentioning
confidence: 99%
See 1 more Smart Citation