Local knot model of entangled polymer chains. 1. Computer simulations of local knots and their collective motion

1992 ◽  
Vol 96 (10) ◽  
pp. 4100-4111 ◽  
Author(s):  
Kazuyoshi Iwata ◽  
Mitsuya Tanaka
Keyword(s):  
Computer Simulations ◽  
Collective Motion ◽  
Polymer Chains ◽  
Entangled Polymer

scholarly journals Advances in the Multi-Orthogonal Folding of Single Polymer Chains into Single-Chain Nanoparticles

Polymers ◽  
2021 ◽  
Vol 13 (2) ◽  
pp. 293
Author(s):  
Agustín Blazquez-Martín ◽  
Ester Verde-Sesto ◽  
Angel J. Moreno ◽  
Arantxa Arbe ◽  
Juan Colmenero ◽  
...  
Keyword(s):  
Computer Simulations ◽  
Chemical Species ◽  
Synthetic Polymers ◽  
Review Article ◽  
Polymer Chains ◽  
Single Chain ◽  
High Dilution ◽  
Covalent Bonds ◽  
Covalent Interactions ◽  
Individual Polymer

The folding of certain proteins (e.g., enzymes) into perfectly defined 3D conformations via multi-orthogonal interactions is critical to their function. Concerning synthetic polymers chains, the “folding” of individual polymer chains at high dilution via intra-chain interactions leads to so-called single-chain nanoparticles (SCNPs). This review article describes the advances carried out in recent years in the folding of single polymer chains into discrete SCNPs via multi-orthogonal interactions using different reactive chemical species where intra-chain bonding only occurs between groups of the same species. First, we summarize results from computer simulations of multi-orthogonally folded SCNPs. Next, we comprehensively review multi-orthogonally folded SCNPs synthesized via either non-covalent bonds or covalent interactions. Finally, we conclude by summarizing recent research about multi-orthogonally folded SCNPs prepared through both reversible (dynamic) and permanent bonds.

Simulation of entangled polymer chains

2007 ◽  
Vol 73 (1) ◽  
pp. 161-173
Author(s):  
J. M. Deutsch
Keyword(s):  
Polymer Chains ◽  
Entangled Polymer

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1993 ◽  
Vol 97 (13) ◽  
pp. 3451-3452 ◽  
Author(s):  
Kazuyoshi Iwata ◽  
Mitsuya Tanaka
Keyword(s):  
Polymer Chains ◽  
Entangled Polymer

First-Principles Study of Bond Rupture of Entangled Polymer Chains

2000 ◽  
Vol 104 (10) ◽  
pp. 2197-2200 ◽  
Author(s):  
A. Marco Saitta ◽  
Michael L. Klein
Keyword(s):  
First Principles ◽  
Polymer Chains ◽  
Bond Rupture ◽  
First Principles Study ◽  
Entangled Polymer

scholarly journals Retraction of “Coupled Effect of Orientation, Stretching and Retraction on the Dimension of Entangled Polymer Chains during Startup Shear”

2017 ◽  
Vol 50 (6) ◽  
pp. 2601-2601
Author(s):  
Yuyuan Lu ◽  
Lijia An ◽  
Shi-Qing Wang ◽  
Zhen-Gang Wang
Keyword(s):  
Polymer Chains ◽  
Coupled Effect ◽  
Entangled Polymer

Grafted Polymer Chains Interacting with Substrates: Computer Simulations and Scaling

2008 ◽  
Vol 17 (9) ◽  
pp. 429-453 ◽  
Author(s):  
Radu Descas ◽  
Jens-Uwe Sommer ◽  
Alexander Blumen
Keyword(s):  
Computer Simulations ◽  
Polymer Chains ◽  
Grafted Polymer

Microscopic theory of linear, entangled polymer chains under rapid deformation including chain stretch and convective constraint release

2003 ◽  
Vol 47 (5) ◽  
pp. 1171-1200 ◽  
Author(s):  
Richard S. Graham ◽  
Alexei E. Likhtman ◽  
Tom C. B. McLeish ◽  
Scott T. Milner
Keyword(s):  
Microscopic Theory ◽  
Polymer Chains ◽  
Constraint Release ◽  
Entangled Polymer ◽  
Convective Constraint Release ◽  
Rapid Deformation

Computer study of the solubilization of polymer chains in polyelectrolyte complex cores of polymeric nanoparticles in aqueous media

2018 ◽  
Vol 20 (47) ◽  
pp. 29876-29888 ◽  
Author(s):  
Karel Šindelka ◽  
Zuzana Limpouchová ◽  
Karel Procházka
Keyword(s):  
Computer Simulations ◽  
Polyelectrolyte Complex ◽  
Polymeric Nanoparticles ◽  
Aqueous Media ◽  
Polymer Chains ◽  
Coarse Grained ◽  
Computer Study ◽  
Interpolyelectrolyte Complex ◽  
Structure Of Nanoparticles ◽  
Polar Polymer

The formation and structure of nanoparticles containing non-polar polymer chains solubilized in interpolyelectrolyte complex (IPC) cores and the partitioning of non-polar chains between bulk solvent and IPC cores were studied by coarse-grained computer simulations.

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