Molecular Simulation Study of the Structure of High Density Polymer Brushes in Good Solvent

2010 ◽  
Vol 43 (21) ◽  
pp. 9131-9138 ◽  
Author(s):  
Ian G. Elliott ◽  
Tonya L. Kuhl ◽  
Roland Faller
Keyword(s):  
Molecular Simulation ◽  
Simulation Study ◽  
Polymer Brushes ◽  
High Density

scholarly journals Self-regenerating giant hyaluronan polymer brushes

2019 ◽  
Vol 10 (1) ◽  
Author(s):  
Wenbin Wei ◽  
Jessica L. Faubel ◽  
Hemaa Selvakumar ◽  
Daniel T. Kovari ◽  
Joanna Tsao ◽  
...  
Keyword(s):  
Wound Healing ◽  
Polymer Brushes ◽  
Functional Materials ◽  
Polymer Physics ◽  
High Density ◽  
Hyaluronan Synthase ◽  
Dynamic Interface ◽  
Continuous Source

AbstractTailoring interfaces with polymer brushes is a commonly used strategy to create functional materials for numerous applications. Existing methods are limited in brush thickness, the ability to generate high-density brushes of biopolymers, and the potential for regeneration. Here we introduce a scheme to synthesize ultra-thick regenerating hyaluronan polymer brushes using hyaluronan synthase. The platform provides a dynamic interface with tunable brush heights that extend up to 20 microns – two orders of magnitude thicker than standard brushes. The brushes are easily sculpted into micropatterned landscapes by photo-deactivation of the enzyme. Further, they provide a continuous source of megadalton hyaluronan or they can be covalently-stabilized to the surface. Stabilized brushes exhibit superb resistance to biofilms, yet are locally digested by fibroblasts. This brush technology provides opportunities in a range of arenas including regenerating tailorable biointerfaces for implants, wound healing or lubrication as well as fundamental studies of the glycocalyx and polymer physics.

Monte Carlo Molecular Simulation Study of Carbon Dioxide Sequestration into Dry and Wet Calcite Pores Containing Methane

2021 ◽  
Author(s):  
Srikanth Ravipati ◽  
Mirella Simoes Santos ◽  
Ioannis G. Economou ◽  
Amparo Galindo ◽  
George Jackson ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Monte Carlo ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Carbon Dioxide Sequestration

scholarly journals Insight into the origin of SARS-CoV-2 through structural analysis of receptor recognition: a molecular simulation study

RSC Advances ◽  
2021 ◽  
Vol 11 (15) ◽  
pp. 8718-8729
Author(s):  
Jixue Sun ◽  
Meijiang Liu ◽  
Na Yang
Keyword(s):  
Molecular Dynamics ◽  
Structural Analysis ◽  
Molecular Dynamics Simulations ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Receptor Recognition ◽  
Dynamics Simulations ◽  
Insight Into

The origin of SARS-CoV-2 through structural analysis of receptor recognition was investigated by molecular dynamics simulations.

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