Determination of DNA-base orientation on carbon nanotubes through directional optical absorbance

被引:55
作者
Meng, Sheng
Wang, Wei L.
Maragakis, Paul
Kaxiras, Efthimios [1 ]
机构
[1] Harvard Univ, Sch Engn & Appl Sci, Dept Phys, Cambridge, MA 02138 USA
[2] DE Shaw Res, New York, NY 10036 USA
关键词
D O I
10.1021/nl070953w
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
We develop an approach for determining the orientation of DNA bases attached to carbon nanotubes (CNTs), by combining ab initio time-dependent density functional theory and optical spectroscopy measurements. The structures we find are in good agreement with the geometry of nucleosides on a (10,0) CNT obtained from molecular simulations using empirical force fields. The results shed light into the complex interactions of the DNA-CNT system, a candidate for ultrafast DNA sequencing through electronic probes.
引用
收藏
页码:2312 / 2316
页数:5
相关论文
共 26 条
[11]   Carbon nanotubes as intracellular transporters for proteins and DNA: An investigation of the uptake mechanism and pathway [J].
Kam, NWS ;
Liu, ZA ;
Dai, HJ .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2006, 45 (04) :577-581
[12]   Potential energy surfaces and conformational transitions in biomolecules: A successive confinement approach applied to a solvated tetrapeptide [J].
Krivov, SV ;
Chekmarev, SF ;
Karplus, M .
PHYSICAL REVIEW LETTERS, 2002, 88 (03)
[13]   Carbon nanotube interaction with DNA [J].
Lu, G ;
Maragakis, P ;
Kaxiras, E .
NANO LETTERS, 2005, 5 (05) :897-900
[14]   DNA functionalization of carbon nanotubes for ultrathin atomic layer deposition of high κ dielectrics for nanotube transistors with 60 mV/decade switching [J].
Lu, YR ;
Bangsaruntip, S ;
Wang, XR ;
Zhang, L ;
Nishi, Y ;
Dai, HJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2006, 128 (11) :3518-3519
[15]   All-atom empirical potential for molecular modeling and dynamics studies of proteins [J].
MacKerell, AD ;
Bashford, D ;
Bellott, M ;
Dunbrack, RL ;
Evanseck, JD ;
Field, MJ ;
Fischer, S ;
Gao, J ;
Guo, H ;
Ha, S ;
Joseph-McCarthy, D ;
Kuchnir, L ;
Kuczera, K ;
Lau, FTK ;
Mattos, C ;
Michnick, S ;
Ngo, T ;
Nguyen, DT ;
Prodhom, B ;
Reiher, WE ;
Roux, B ;
Schlenkrich, M ;
Smith, JC ;
Stote, R ;
Straub, J ;
Watanabe, M ;
Wiórkiewicz-Kuczera, J ;
Yin, D ;
Karplus, M .
JOURNAL OF PHYSICAL CHEMISTRY B, 1998, 102 (18) :3586-3616
[16]   Polarization dependence of the optical absorption of single-walled carbon nanotubes [J].
Murakami, Y ;
Einarsson, E ;
Edamura, T ;
Maruyama, S .
PHYSICAL REVIEW LETTERS, 2005, 94 (08)
[17]   The binding of single-stranded DNA and PNA to single-walled carbon nanotubes probed by flow linear dichroism [J].
Rajendra, J ;
Rodger, A .
CHEMISTRY-A EUROPEAN JOURNAL, 2005, 11 (16) :4841-4847
[18]  
SanchezPortal D, 1997, INT J QUANTUM CHEM, V65, P453, DOI 10.1002/(SICI)1097-461X(1997)65:5<453::AID-QUA9>3.0.CO
[19]  
2-V
[20]   DNA-decorated carbon nanotubes for chemical sensing [J].
Staii, C ;
Johnson, AT .
NANO LETTERS, 2005, 5 (09) :1774-1778