Paper Citing NAMD - Abstract
Hoshyarmanesh, S.; Bahrami, M.; Kalantarinejad, R.
A Multiscale Approach in the Computational Modeling of Bio-Physical Environment of Micro-Mechanical Biosensor Towards the Prostate Specific Antigen Diagnosis
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, 11:1374-1384, MAY 2014
Researchers have paid a considerable amount of attention to biosensors platforms based on micro electromechanical systems, in recent years. New material properties and emergent phenomena on micro scale have enabled new biosensing transduction mechanism. In particular, micro cantilever beams have been of special interest as a biosensor due to significant operational characteristics such as low power consumption, high sensitivity, specificity, low detection level and time response. While, several successful design of this biosensor have been reported, but there are still more investigations needed to better clarify the transduction mechanism, effects of sensor structure and other configurational parameters on their performance. Normally, the beam surface is functionalized with specific receptor for target biomolecule to enable specific detection. Binding of target biomolecules with its specific receptor causes increase in surface stress that leads to deflection in the beam, which is used for detection. Here we study a microcantilever beam as a biosensor to detect prostate specific antigen. A new approach to microcantilever biosensors study is employed, using a multiscale system including molecular dynamics and continuum mechanics to investigate surface molecular interaction and the effect of different parameters on sensitivity of the sensor. A nano scale element of a micro biosensor is analyzed to estimate surface tension which is used to calculate the level of deflection of the micro scale cantilever. This has proven to be very effective in measuring the nano surface effects and evaluating the biosensor's detection function. The effects of different substrate materials are also considered, to achieve maximum sensitivity. Furthermore, Different concentrations of prostate antibody as an effective variable and the effect of geometrical configurations of receptors and target molecules on the sensor's surface as a random parameter are studied. The results had given us an estimation of sensor's output in various designing scenarios witch lead to choice the best material and manufacturing process.
