Indian Journal of Science and Technology
Year: 2016, Volume: 9, Issue: 48, Pages: 1-4
Varsha Singh1 , Devi Singh2* and S. K. Chakarvarti3
1 Department of Electronics and Communication Engineering, Manav Rachna International University, National Capital Region, Aravali Hills, Sector-43, Faridabad - 121001, Haryana, India; [email protected]
2 Department of Physics, Manav Rachna International University, National Capital Region, Aravali Hills, Sector-43, Faridabad, 121001, Haryana, India; [email protected]
3 Ex- National Institute of Technology, Kurukshetra - 136119, Haryana, India; [email protected]
Objectives: To develop a robust, feasible and stable conjugate of functionalized Carbon Nanotube (f-CNT) and Supramolecular Nucleic Acid (DNA) which are compatible with each other in behavior. Method: A basic computational model of above mentioned conjugate is prepared with the help of Hyperchem® 7.5 obtained by steepest descent algorithm. Findings: This f-CNT-DNA conjugate model was then used to study various QSAR properties of CNT-DNA like molar refractivity, polarization, volume, Hydration Energy, Surface Area and Log P values to show its viability and potential in various biotechnical applications. Applications: Various conjugate models are studied and detected its feasibility and stability to work as a carrier for various biotechnical applications, ranging from biological transporters as a drug carrier and biosensors.
Keywords: Computational modeling, Deoxyribose Nucleic Acid (DNA), f-CNT-DNA Conjugate, Functionalized Carbon Nanotubes (f-CNT), Hyperchem
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