Volume 19, Issue 10 (October 2019)                   Modares Mechanical Engineering 2019, 19(10): 2481-2489 | Back to browse issues page

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Mollaei F, Aliparast P, Naghash A. Vancomycin Adsorption on Microcantilever Based on Molecular Dynamics Simulation. Modares Mechanical Engineering 2019; 19 (10) :2481-2489
URL: http://mme.modares.ac.ir/article-15-22300-en.html
1- Aerospace Research Institute, Tehran, Iran
2- Aerospace Research Institute, Tehran, Iran , aliparast@ari.ac.ir
3- Aerospace Department, Amirkabir University of Technology, Tehran, Iran
Abstract:   (3438 Views)

Adsorption simulation of vancomycin antibiotic is done using molecular dynamics. The simulation results show the adsorption behavior of vancomycin on a functionalized biosensor. Regarding the importance of vancomycin, its molecular function is simulated using multiscale discipline. Adsorption to a single assembly monolayer is considered according to vancomycin’s in-vivo function. A selected biosensor is a non-symmetrically functionalized microcantilever which undergoes deformation as a result of changes in surface tension regarding functionalized surface. Multiscale simulations implemented to calculate microcantilever deformation. Molecular models in a vacuum and aquatic media are taken into account. Energy parameters related to surface tension is studied versus the distance of target molecules to the surface of the biosensor. To calculate the distance between receptor molecules in single assembly monolayer, an algorithm is proposed based on experimental results.
 

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Article Type: Original Research | Subject: Micro & Nano Systems
Received: 2018/06/21 | Accepted: 2019/02/23 | Published: 2019/10/22

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