Binding of nucleobases with single-walled carbon nanotubes: Theory and experiment

被引：94

作者：

Das, Anindya ^{[1
]}

Sood, A. K. ^{[1
]}

Maiti, Prabal K. ^{[2
]}

Das, Mili ^{[3
]}

Varadarajan, R. ^{[3
]}

Rao, C. N. R. ^{[4
]}

机构：

[1] Indian Inst Sci, Dept Phys, Bangalore 560012, Karnataka, India

[2] Indian Inst Sci, Dept Phys, Ctr Condensed Matter Theory, Bangalore 560012, Karnataka, India

[3] Indian Inst Sci, Mol Biophys Unit, Bangalore 560012, Karnataka, India

[4] Indian Inst Sci, Jawaharlal Nehru Ctr Adv Sci Res, Chem & Phys Mat Unit, Bangalore 560012, Karnataka, India

来源：

CHEMICAL PHYSICS LETTERS | 2008年 / 453卷 / 4-6期

关键词：

D O I：

10.1016/j.cplett.2008.01.057

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：266 / 273

页数：8

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