Adsorption of Bovine Serum Albumin on Poly(vinylidene fluoride) Surfaces in the Presence of Ions: A Molecular Dynamics Simulation

2018 ◽  
Vol 122 (6) ◽  
pp. 1919-1928 ◽  
Author(s):  
Abdul Rajjak Shaikh ◽  
Hamed Karkhanechi ◽  
Tomohisa Yoshioka ◽  
Hideto Matsuyama ◽  
Hiromitsu Takaba ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Bovine Serum Albumin ◽  
Serum Albumin ◽  
Bovine Serum ◽  
Vinylidene Fluoride ◽  
Dynamics Simulation ◽  
Poly Vinylidene Fluoride

Interactions of 1-hydroxypyrene with bovine serum albumin: insights from multi-spectroscopy, docking and molecular dynamics simulation methods

RSC Advances ◽  
2016 ◽  
Vol 6 (28) ◽  
pp. 23622-23633 ◽  
Author(s):  
Jing Zhang ◽  
Weixiao Chen ◽  
Bowen Tang ◽  
Wei Zhang ◽  
Linfeng Chen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Bovine Serum Albumin ◽  
Adverse Effects ◽  
Serum Albumin ◽  
Bovine Serum ◽  
Md Simulations ◽  
Dynamics Simulation ◽  
Simulation Methods

Combining multi-spectroscopy, docking with MD simulations, the interactions of 1-hydroxypyrene with BSA and the adverse effects on BSA were investigated.

A spectroscopic and molecular dynamics simulation approach towards the stabilizing effect of ammonium-based ionic liquids on bovine serum albumin

2017 ◽  
Vol 41 (19) ◽  
pp. 10712-10722 ◽  
Author(s):  
Lakkoji Satish ◽  
Sabera Millan ◽  
Krishnendu Bera ◽  
Sujata Mohapatra ◽  
Harekrushna Sahoo
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Bovine Serum Albumin ◽  
Serum Albumin ◽  
Bovine Serum ◽  
Dynamics Simulation ◽  
Thermal Unfolding ◽  
Simulation Approach ◽  
Stabilizing Effect ◽  
Theoretical Evidence

Experimental and theoretical evidence in support of the stabilizing effect of ammonium-based ionic liquids on thermal unfolding/refolding of bovine serum albumin is provided in this article.

Molecular investigation of oil–water separation using PVDF polymer by molecular dynamic simulation

RSC Advances ◽  
2016 ◽  
Vol 6 (78) ◽  
pp. 74124-74134 ◽  
Author(s):  
Mehdi Darvishi ◽  
Masumeh Foroutan
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Vinylidene Fluoride ◽  
Dynamics Simulation ◽  
Water Separation ◽  
Molecular Investigation ◽  
Poly Vinylidene Fluoride ◽  
Adsorption Of Water ◽  
Oil Water Separation ◽  
Oil Water

In this study, adsorption of water nanodroplets, oil nanodroplets and oil–water mixtures on a poly vinylidene fluoride (PVDF) surface is investigated using molecular dynamics simulation and a mechanism for adsorption of the droplets is proposed.

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