Interaction of DNA with Single-Walled Carbon Nanotubes: Implication to the Bio- Sensors
نویسندگان
چکیده
The sensing mechanism of DNA with carbon nanotube– field effect transistor sensors is investigated by firstprinciples electronic structure calculations. We have investigated the interaction of individual DNA nucleobases (especially guanine and cytosine) with single walled carbon nanotubes (SWNTs), and compared the binding energies of various configurations including π-stacking and direct bonding ones. Secondly, we have also simulated the interaction of the thiolated nucleotides with gold nanoparticles. Comparing the calculated results of above two systems, we tried to propose the mechanism of sensing the binding of single-stranded DNA (ss-DNA) on the SWNTs and the hybridization of complementary DNA on the pre-bound ss-DNA.
منابع مشابه
Investigation of Solvent Effects on Interaction of Single-Strand DNA with Open-End of Single Walled Carbon Nanotubes Using QM and MM methods
The interaction of biomolecules with carbon nanotubes (CNTs) has generated a great deal ofinterest in the past few years. The interaction between B-form single-strand DNA (ssDNA) andsingle-walled carbon nanotubes (SWCNTs) is a subject of intense current interest; however thereare a relatively small number of papers in the literature dealing with interaction of DNA andSWCNTs. In this work we inv...
متن کاملA Theoretical Study of H2S and CO2 Interaction with the Single-Walled Nitrogen Doped Carbon Nanotubes
The physical adsorption of hydrogen sulfide and carbon dioxide gases on the zigzag (5,0) carbon nanotubes doped with nitrogen was investigated through the application of B3LYP/6-31G* at the level of theory on Gaussian 03 software. A variety of stable and high abundance structures of nitrogen doped carbon nanotubes were considered in order to study the interaction between the mentioned gases in ...
متن کاملA Theoretical Study of H2S and CO2 Interaction with the Single-Walled Nitrogen Doped Carbon Nanotubes
The physical adsorption of hydrogen sulfide and carbon dioxide gases on the zigzag (5,0) carbon nanotubes doped with nitrogen was investigated through the application of B3LYP/6-31G* at the level of theory on Gaussian 03 software. A variety of stable and high abundance structures of nitrogen doped carbon nanotubes were considered in order to study the interaction between the mentioned gases in ...
متن کاملSulfur Dioxide Internal and External Adsorption on the Single-Walled Carbon Nanotubes: DFT Study
Density-functional theory is used to investigate sulfur dioxide physisorption inside and outside of single-wall carbon nanotube of (5,0) and (5,5). This study is conducted at B3LYP/6-31G* level of theory. Sulfur dioxide molecule is studied with axis oriented parallel or perpendicular to the nanotube wall. Both internal and external adsorption on nanotubes is increased with the angle of interact...
متن کاملStudy on interaction between carbon nanotubes (CNTs) as nano carrier for loading and delivery of Methotrexate
The Methotrexate delivery by carbon nanotubes (CNTs) and the structural changes of drugcombination upon the carbon nanotubes and bio thermodynamic of the drug have been studied by molecularcomputational methods. Computational molecular methods have been fulfilled by molecular mechanics methods with four force field, and semi empirical with all methods. We investigate different param...
متن کامل