In this regard, nanostructures, such as nanowires (NWs), nanotubes (NTs), nanoparticles, nanocrystals, nanosheets, and quantum dots have been intensely studied, since their dimensions are comparable to the sizes of chemical and biological molecules, , ].ĭifferent carbon based nanostructures such as graphene, fullerene, and carbon nanotubes (CNTs) have attracted widespread attention in recent years and their biosensing applications have been investigated in many studies, , ]. The recent covid-19 pandemic has also shown the importance of DNA-sequencing, as a reliable method, to diagnose infected individuals (PCR-Test). One of the main focus areas within biomedical research over the past decades has been the determination of the human genome or DNA sequencing which can lead to the prediction and treatment of many diseases. Systems based on nanoscale devices have shown unique characteristics for ultrasensitive, miniaturized, fast, and low-cost molecular sensing applications and are gaining importance due to their large potential in commercial applications, ranging from the detection of protein, virus, and DNA building blocks to the discovery of new drug delivery systems. In recent years, the detection of biomolecules is one of the widely studied topics in nanotechnology. A unique interaction feature of each nucleotide with SiNTs provides general guidelines for the design of SiNTs-based biosensors. The results indicate that the van der Waals dispersion forces are mainly responsible for the nucleotide-SiNT interaction. In the next step, the interaction between different DNA nucleotides and stable SiNTs is investigated. Therefore, the same method is applied to the less investigated tetragonal type nanotubes. Our results for the armchair and zigzag structures show relatively good agreements with other classical and quantum level studies. Properties such as Si–Si bond length, diameters as well as formation energy per Si atom are calculated for different SiNTs. The optimized geometries of infinite single-walled SiNTs made of hexagonal and tetragonal lattices are assessed at the classical level based on Tersoff and Stillinger-Weber potentials. The interaction between different forms of silicon nanotubes (SiNTs) and DNA nucleotides is investigated using molecular dynamics simulations.
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