Das, Anindya ; Sood, A. K. ; Maiti, Prabal K. ; Das, Mili ; Varadarajan, R. ; Rao, C. N. R. (2008) Binding of nucleobases with single-walled carbon nanotubes: theory and experiment Chemical Physics Letters, 453 (4-6). pp. 266-273. ISSN 0009-2614
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Official URL: http://linkinghub.elsevier.com/retrieve/pii/S00092...
Related URL: http://dx.doi.org/10.1016/j.cplett.2008.01.057
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 |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 42368 |
| Deposited On: | 02 Jun 2011 11:44 |
| Last Modified: | 06 Mar 2012 14:30 |
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