Development of Dissipative Particle Dynamics framework for modeling hydrogels with degradable bonds

MRS Advances ◽  
2020 ◽  
Vol 5 (17) ◽  
pp. 927-934 ◽  
Author(s):  
Vaibhav Palkar ◽  
Chandan K. Choudhury ◽  
Olga Kuksenok

AbstractControlled degradation of hydrogels enables several applications of these materials, including controlled drug and cell release applications and directed growth of neural networks. These applications motivate the need of a simulation framework for modeling controlled degradation in hydrogels. We develop a Dissipative Particle Dynamics (DPD) framework for hydrogel degradation. As a model hydrogel, we prepare a network formed by end-linking tetra-arm polyethylene glycol precursors. We model bond breaking during degradation of this hydrogel as a stochastic process. The fraction of degradable bonds follows first order degradation kinetics. We characterize the rate of mass loss during degradation process.

Author(s):  
Jehangeer Khan ◽  
Murtaza Sayed ◽  
Fayaz Ali ◽  
Hasan Mahmood Khan

Abstract In the present research work the degradation of acid yellow 17 (AY 17) by H2O2/Fe2+ was investigated. The effect of various conditions such as pH value, temperature, conc. of H2O2, Fe2+, conc. of AY 17 were studied. Additionally the scavenging effects of various anions such as Cl−, SO42−, CO32− and HCO3−, on percent degradation of AY 17 were examined. It was found that these anions decrease percent degradation as well as rate of degradation reaction. The optimum conditions were determined as [AY 17]=[Fe2+]=0.06 mM [H2O2]=0.9 mM, and pH 3.0 for 60 min of reaction time. It was found that at optimum conditions 89% degradation of AY17 was achieved. The degradation kinetics of AY17 followed pseudo-first-order reaction kinetics. Thermodynamic studies under natural conditions showed positive value of ∆H (enthalpy) which indicates the degradation process is endothermic.


Soft Matter ◽  
2021 ◽  
Author(s):  
Ashish Kumar Singh ◽  
Avinash Chauhan ◽  
Sanjay Puri ◽  
Awaneesh Singh

We studied phase separation kinetics of block copolymer melts while passing them through alternate photo-induced bond breaking (on) and recombination (off) reaction cycles, and discussed its effect on evolution morphologies, scaling functions, and length.


2019 ◽  
Author(s):  
Ting Liu ◽  
Anupam Mishra ◽  
Mohsen Torabi ◽  
Ahmed A. Hemeda ◽  
James Palko ◽  
...  

2005 ◽  
Vol 42 (3) ◽  
pp. 180-183 ◽  
Author(s):  
S. G. Schulz ◽  
U. Frieske ◽  
H. Kuhn ◽  
G. Schmid ◽  
F. Müller ◽  
...  

2021 ◽  
Vol 33 (7) ◽  
pp. 072001
Author(s):  
Liuzhen Ren ◽  
Haibao Hu ◽  
Luyao Bao ◽  
Mengzhuo Zhang ◽  
Jun Wen ◽  
...  

2012 ◽  
Vol 45 (19) ◽  
pp. 8109-8116 ◽  
Author(s):  
Brandon L. Peters ◽  
Abelardo Ramírez-Hernández ◽  
Darin Q. Pike ◽  
Marcus Müller ◽  
Juan J. de Pablo

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Ramin Zakeri

AbstractOne of the unresolved issues in physiology is how exactly myosin moves in a filament as the smallest responsible organ for contracting of a natural muscle. In this research, inspired by nature, a model is presented consisting of DPD (dissipative particle dynamics) particles driven by electro-osmotic flow (EOF) in micro channel that a thin movable impermeable polymer membrane has been attached across channel width, thus momentum of fluid can directly transfer to myosin stem. At the first, by validation of electro-osmotic flow in micro channel in different conditions with accuracy of less than 10 percentage error compared to analytical results, the DPD results have been developed to displacement of an impermeable polymer membrane in EOF. It has been shown that by the presence of electric field of 250 V/m and Zeta potential − 25 mV and the dimensionless ratio of the channel width to the thickness of the electric double layer or kH = 8, about 15% displacement in 8 s time will be obtained compared to channel width. The influential parameters on the displacement of the polymer membrane from DPD particles in EOF such as changes in electric field, ion concentration, zeta potential effect, polymer material and the amount of membrane elasticity have been investigated which in each cases, the radius of gyration and auto correlation velocity of different polymer membrane cases have been compared together. This simulation method in addition of probably helping understand natural myosin displacement mechanism, can be extended to design the contraction of an artificial muscle tissue close to nature.


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