Affiliations: Promising Centre for Sensors and Electronic Devices, Najran University, Najran, KSA; Department of Physics, College of Arts and Science, Najran University, Najran, KSA
Note: [] Corresponding author: Shamoon Ahmad Siddiqui, Promising Centre for Sensors and Electronic Devices, Najran University, Najran, KSA; Department of Physics, College of Arts and Science, Najran University, Najran, KSA. Tel.: +966 508047809; E-mail: shamoonasiddiqui@gmail.com
Abstract: It is always difficult to differentiate between normal and rare tautomeric form of various nucleic acid bases as they have similar electronic structure and energies. In the present work we performed theoretical calculations in order to accomplish the task of differentiating between adenine-thymine base pair and rare tautomer of adenine-thymine base pair using GaN doped fullerene (C58GaN). We used Density Functional Theory with the popular B3LYP functional in all calculations. The HOMO-LUMO gap was used to examine the electronic properties of these complexes. Our findings reveal that GaN doped C60 can be used as a nano-biosensor.
Keywords: Differentiation, rare tautomer, electronic properties, HOMO-LUMO gap
