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Get Free AccessWe 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.
Anindya Das, Anil K. Sood, Prabal K. Maiti, Mili Das, Raghavan Varadarajan, Cnr Rao (2008). Binding of nucleobases with single-walled carbon nanotubes: Theory and experiment. Chemical Physics Letters, 453(4-6), pp. 266-273, DOI: 10.1016/j.cplett.2008.01.057.
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Type
Article
Year
2008
Authors
6
Datasets
0
Total Files
0
Language
English
Journal
Chemical Physics Letters
DOI
10.1016/j.cplett.2008.01.057
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