Nano Archive

Binding of nucleobases with single-walled carbon nanotubes: Theory and experiment

Das, Anindya and Sood, A. K. and Maiti, Prabal K. and Das, Mili and R., Varadarajan and Rao, C. N. R. (2008) Binding of nucleobases with single-walled carbon nanotubes: Theory and experiment. CHEMICAL PHYSICS LETTERS, 453 . pp. 266-273.

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Abstract

We report the binding energy of various nucleobases (guanine (G), adenine (A), thymine (T) and cytosine (C)) with (5,5) single-walled carbon nanotube (SWNT) calculated using first-principle Hartre–Fock method (HF) together with classical force field. The binding energy without including the solvation effects of water decreases in the order G>A>T>C. The inclusion of solvation energy changes the order of binding preference to be G>T>A>C. Using isothermal titration (micro) calorimetry experiments, we also show the relative binding affinity to be T>A>C, in agreement with our calculations.

Item Type:Article
Subjects:Physical Science > Nanophysics
Divisions:Faculty of Engineering, Science and Mathematics > School of Physics
Faculty of Engineering, Science and Mathematics > School of Chemistry
ID Code:3049
Deposited By:JNCASR
Deposited On:20 Jan 2009 11:09
Last Modified:20 Jan 2009 11:09

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