Hydrogen bonding induced protein adsorption on polymer brushes: a Monte Carlo study

2017 ◽  
Vol 5 (43) ◽  
pp. 8479-8486 ◽  
Author(s):  
Yuanyuan Han ◽  
Jie Cui ◽  
Jing Jin ◽  
Wei Jiang
Keyword(s):  
Monte Carlo ◽  
Hydrogen Bonding ◽  
Protein Adsorption ◽  
Polymer Brushes ◽  
Monte Carlo Study ◽  
Adsorption Behaviors

The protein adsorption behaviors on polymer brushes in the presence of hydrogen bonding between proteins and polymer brushes.

On the Adsorption Process in Polymer Brushes:  A Monte Carlo Study

1996 ◽  
Vol 29 (5) ◽  
pp. 1433-1441 ◽  
Author(s):  
A. Kopf ◽  
J. Baschnagel ◽  
J. Wittmer ◽  
K. Binder
Keyword(s):  
Monte Carlo ◽  
Polymer Brushes ◽  
Adsorption Process ◽  
Monte Carlo Study

scholarly journals Tetrahedrality, hydrogen bonding and the density anomaly of the central force water model. A Monte Carlo study

2021 ◽  
Vol 24 (3) ◽  
pp. 33503
Author(s):  
V. Ravnik ◽  
B. Hribar-Lee ◽  
O. Pizio ◽  
M. Lukšič
Keyword(s):  
Monte Carlo ◽  
Hydrogen Bonding ◽  
Chemical Potential ◽  
Monte Carlo Study ◽  
Central Force ◽  
Water Model ◽  
Average Value ◽  
Density Anomaly ◽  
The One ◽  
Definition Of

Monte Carlo computer simulations in the canonical and grand canonical statistical ensemble were used to explore the properties of the central force (CF1) water model. The intramolecular structure of the H2O molecule is well reproduced by the model. Emphasis was made on hydrogen bonding, and on the tehrahedral, q, and translational, τ, order parameters. An energetic definition of the hydrogen bond gives more consistent results for the average number of hydrogen bonds compared to the one-parameter distance criterion. At 300 K, an average value of 3.8 was obtained. The q and τ metrics were used to elucidate the water-like anomalous behaviour of the CF1 model. The structural anomalies lead to the density anomaly, with a good agreement of the model's density with the experimental ρ(T) trends. The chemical potential-density projection of the model's equation of state was explored. Vapour-liquid coexistence was observed at sufficiently low temperatures.

Entropy of Polymer Brushes in Good Solvents:  A Monte Carlo Study

2007 ◽  
Vol 40 (3) ◽  
pp. 723-730 ◽  
Author(s):  
Kaoru Ohno ◽  
Takashi Sakamoto ◽  
Taisuke Minagawa ◽  
Yutaka Okabe
Keyword(s):  
Monte Carlo ◽  
Polymer Brushes ◽  
Monte Carlo Study

scholarly journals Fluctuation driven height reduction of crosslinked polymer brushes: A Monte Carlo study

2013 ◽  
Vol 139 (16) ◽  
pp. 164903 ◽  
Author(s):  
M. Lang ◽  
M. Hoffmann ◽  
R. Dockhorn ◽  
M. Werner ◽  
J.-U. Sommer
Keyword(s):  
Monte Carlo ◽  
Polymer Brushes ◽  
Monte Carlo Study ◽  
Crosslinked Polymer ◽  
Height Reduction
Sign in / Sign up

Export Citation Format

Share Document