A Molecular Dynamics Model for Biomedical Sensor Evaluation: Nanoscale Numerical Simulation of an Aluminum-Based Biosensor

Fatemeh Shahbazi, Mohammad Nasr Esfahani, Masoud Jabbari, Amir Keshmiri

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Metallic nanostructured-based biosensors provide label-free, multiplexed, and real-time detections of chemical and biological targets. Aluminum-based biosensors are favored in this category, due to their enhanced stability and profitability. Despite the recent advances in nanotechnology and the significant improvement in development of these biosensors, some deficiencies restrict their utilization. Hence a detailed insight into their behavior in different conditions would be crucial, which can be achieved with nanoscale numerical simulation. With this aim, an Aluminum-based biosensor is chosen to be analyzed with the help of all-atom molecular dynamics model (AA-MD), using large-scale atomic/molecular massively parallel simulator (LAMMPS). The surface properties and adsorption process through different flow conditions and various concentration of the target, are investigated in this study. In the future work, the results of this study will be used for developing a predictive model for surface properties of the biosensor. Clinical Relevance- The role of biosensors in clinical applications and early diagnosis is evident. This work provides a model for predicting the binding behavior of the target molecules on the biosensor surface in different conditions. Results demonstrate an increase in the adsorption of ethanol on the biosensor surface of 7% up to 80% with changing the velocity from 0.001 m/s to 1 m/s Although for cases with higher concentration this trend becomes complicated necessitating the implementation of machine learning models in the future works.

Original languageEnglish
Title of host publication2022 44th Annual International Conference of the IEEE Engineering in Medicine & Biology Society (EMBC)
PublisherIEEE
Pages613-616
Number of pages4
Volume2022
DOIs
Publication statusPublished - 8 Sep 2022
Event2022 44th Annual International Conference of the IEEE Engineering in Medicine & Biology Society (EMBC) - Scottish Event Campus, Glasgow, United Kingdom
Duration: 11 Jul 202215 Jul 2022

Publication series

NameAnnual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference
ISSN (Print)2375-7477

Conference

Conference2022 44th Annual International Conference of the IEEE Engineering in Medicine & Biology Society (EMBC)
Country/TerritoryUnited Kingdom
CityGlasgow
Period11/07/2215/07/22

Keywords

  • Aluminum
  • Biosensing Techniques/methods
  • Molecular Dynamics Simulation
  • Nanostructures/chemistry
  • Nanotechnology

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