Using Molecular Dynamics Simulation to Optimize Biocompatibility of a Heterogeneous PVA/PCL Scaffold Based on Protein Adsorption
سال انتشار: 1395
نوع سند: مقاله کنفرانسی
زبان: انگلیسی
مشاهده: 819
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شناسه ملی سند علمی:
MECHCONF01_167
تاریخ نمایه سازی: 21 شهریور 1395
چکیده مقاله:
Poly (vinyl alcohol) PVA and polycaprolactone (PCL) are two biocompatible polymers prevalently used for tissue engineering and drug delivery. In this paper, for the first time, classical molecular dynamics (MD) simulation is employed to optimize a heterogeneous composite PCL/PVA scaffold with the aim of obtaining the best protein adsorption as the criterion for biocompatibility. The simulation is performed with regard to different blends of PVA and PCL oligomers, considering 3 different blends ranging from PCL: PVA weight percent of 10:90, 50:50, 70:30, while keeping the total mass constant. Subsequently, effect of biomaterial composition and addition of PCL is investigated on protein adsorption. Results indicated that, in agreement with experimental findings, addition of PCL to biomaterial is accompanied by better protein adsorption. Results of this study show capability of molecular dynamics simulation in gaining an insight into the behavior of different composite scaffolds in exposure to the biological environment
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نویسندگان
Amir Shamloo
Department of Mechanical Engineering, Sharif University of Technology