Comparative study of the crowding-induced collapse effect in hard-sphere, flexible polymer and rod-like polymer systems

2019 ◽  
Vol 21 (23) ◽  
pp. 12335-12345 ◽  
Author(s):  
Anpu Chen ◽  
Nanrong Zhao
Keyword(s):  
Comparative Study ◽  
Hard Sphere ◽  
Polymer Systems ◽  
Flexible Polymer ◽  
Langevin Simulation ◽  
Collapse Effect

A systematic Langevin simulation is performed to study the crowding-induced collapse effect on a probed chain in three typical systems: hard sphere (HS), flexible polymer and rod-like polymer.

Langevin simulation of the dynamics of a dense hard sphere liquid

1994 ◽  
Vol 50 (1-3) ◽  
pp. 47-61 ◽  
Author(s):  
Lisa M. Lust ◽  
Oriol T. Valls ◽  
Chandan Dasgupta
Keyword(s):  
Hard Sphere ◽  
Hard Sphere Liquid ◽  
Langevin Simulation

scholarly journals Comparison of Huggins Coefficients and Osmotic Second Virial Coefficients of Buffered Solutions of Monoclonal Antibodies

Polymers ◽  
2021 ◽  
Vol 13 (4) ◽  
pp. 601
Author(s):  
Jai A. Pathak ◽  
Sean Nugent ◽  
Michael Bender ◽  
Christopher J. Roberts ◽  
Robin J. Curtis ◽  
...  
Keyword(s):  
Monoclonal Antibodies ◽  
Hard Sphere ◽  
Interparticle Interaction ◽  
Disordered Proteins ◽  
Solution Viscosity ◽  
Hard Sphere Model ◽  
Solution Property ◽  
Theoretical Understanding ◽  
Intrinsically Disordered ◽  
Flexible Polymer

The Huggins coefficient kH is a well-known metric for quantifying the increase in solution viscosity arising from intermolecular interactions in relatively dilute macromolecular solutions, and there has been much interest in this solution property in connection with developing improved antibody therapeutics. While numerous kH measurements have been reported for select monoclonal antibodies (mAbs) solutions, there has been limited study of kH in terms of the fundamental molecular interactions that determine this property. In this paper, we compare measurements of the osmotic second virial coefficient B22, a common metric of intermolecular and interparticle interaction strength, to measurements of kH for model antibody solutions. This comparison is motivated by the seminal work of Russel for hard sphere particles having a short-range “sticky” interparticle interaction, and we also compare our data with known results for uncharged flexible polymers having variable excluded volume interactions because proteins are polypeptide chains. Our observations indicate that neither the adhesive hard sphere model, a common colloidal model of globular proteins, nor the familiar uncharged flexible polymer model, an excellent model of intrinsically disordered proteins, describes the dependence of kH of these antibodies on B22. Clearly, an improved understanding of protein and ion solvation by water as well as dipole–dipole and charge–dipole effects is required to understand the significance of kH from the standpoint of fundamental protein–protein interactions. Despite shortcomings in our theoretical understanding of kH for antibody solutions, this quantity provides a useful practical measure of the strength of interprotein interactions at elevated protein concentrations that is of direct significance for the development of antibody formulations that minimize the solution viscosity.

Comparative study of two different polymer systems for the application in flexible pavements

2016 ◽  
pp. 1175-1184 ◽  
Author(s):  
Martin Jasso ◽  
Dusan Bakos ◽  
Jiri Stastna ◽  
Ludo Zanzotto
Keyword(s):  
Comparative Study ◽  
Flexible Pavements ◽  
Polymer Systems

scholarly journals Parallelized event chain algorithm for dense hard sphere and polymer systems

2015 ◽  
Vol 281 ◽  
pp. 864-875 ◽  
Author(s):  
Tobias A. Kampmann ◽  
Horst-Holger Boltz ◽  
Jan Kierfeld
Keyword(s):  
Hard Sphere ◽  
Polymer Systems

scholarly journals Hard sphere fluids at a soft repulsive wall: A comparative study using Monte Carlo and density functional methods

2011 ◽  
Vol 134 (21) ◽  
pp. 214706 ◽  
Author(s):  
Debabrata Deb ◽  
Alexander Winkler ◽  
Mohammad Hossein Yamani ◽  
Martin Oettel ◽  
Peter Virnau ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Comparative Study ◽  
Hard Sphere ◽  
Density Functional ◽  
Density Functional Methods ◽  
Functional Methods
Sign in / Sign up

Export Citation Format

Share Document