Das, Anindya and Sood, A. K. and Maiti, Prabal K. and Das, Mili and Varadarajan, R. and 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.
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Official URL: http://dx.doi.org/10.1016/j.cplett.2008.01.057
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. (c) 2008 Elsevier B. V. All rights reserved.
|Subjects:||Material Science > Functional and hybrid materials|
Physical Science > Nano objects
Biomedical Science > Nanobiotechnology
|Deposited By:||Farnush Anwar|
|Deposited On:||23 Dec 2008 15:58|
|Last Modified:||09 Jan 2009 14:49|
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