Indian Journal of Science and Technology

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Supramolecular Deoxyribose Nucleic Acid and Functionalized Carbon Nanotube Conjugate: Computational Modeling Approach


Affiliations
1 Department of Electronics and Communication Engineering, Manav Rachna International University, National Capital Region, Aravali Hills, Sector-43, Faridabad - 121001, Haryana, India
2 Department of Physics, Manav Rachna International University, National Capital Region, Aravali Hills, Sector-43, Faridabad, 121001, Haryana, India
3 Ex- National Institute of Technology, Kurukshetra - 136119, Haryana, India
 

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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  • Supramolecular Deoxyribose Nucleic Acid and Functionalized Carbon Nanotube Conjugate: Computational Modeling Approach

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Authors

Varsha Singh
Department of Electronics and Communication Engineering, Manav Rachna International University, National Capital Region, Aravali Hills, Sector-43, Faridabad - 121001, Haryana, India
Devi Singh
Department of Physics, Manav Rachna International University, National Capital Region, Aravali Hills, Sector-43, Faridabad, 121001, Haryana, India
S. K. Chakarvarti
Ex- National Institute of Technology, Kurukshetra - 136119, Haryana, India

Abstract


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.



DOI: https://doi.org/10.17485/ijst%2F2016%2Fv9i48%2F136467