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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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.
|Subjects:||Physical Science > Nanophysics|
|Divisions:||Faculty of Engineering, Science and Mathematics > School of Physics|
Faculty of Engineering, Science and Mathematics > School of Chemistry
|Deposited On:||20 Jan 2009 11:09|
|Last Modified:||20 Jan 2009 11:09|
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