Das, Anindya and Sood, AK and Maiti, Prabal K and Das, Mili and Varadarajan, R and Rao, CNR (2008) Binding of nucleobases with single-walled carbon nanotubes: Theory and experiment. In: Chemical Physics Letters, 453 (4-6). 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.
|Item Type:||Journal Article|
|Additional Information:||Copyright of this article belongs to Elsevier Science.|
|Department/Centre:||Division of Biological Sciences > Molecular Biophysics Unit
Division of Physical & Mathematical Sciences > Physics
|Date Deposited:||08 Mar 2010 10:01|
|Last Modified:||19 Sep 2010 05:56|
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