2011-13

Using extensive molecular dynamics calculations, we studied the structure of DNA on carbon nanotubes. We showed that DNA adopts novel secondary structures including a self-stitching motif that seems effectively to ligate multiple strands into one helix, beta-barrels, and loop-like structures.

See, for example:

Molecular Basis of Single-Walled Carbon Nanotube Recognition by Single-Stranded DNA," Daniel Roxbury, Jeetain Mittal, Anand Jagota(Nanoletters, 12 [3] 1464-1469 (2012))

See also, the movie

Simulation of 3 strands of (TAT)4 on a (6,5) single-wall carbon nanotube.

 

Older Work

(July 2010)

Molecular simulation of beta-barrel DNA structures on SWNTs support the idea that such secondary structures are stabilized by their interaction with the nanotube core. (Journal of Physical Chemistry C, 2010, Roxbury et al.)

 

(July 2009)

 

zeta_potential

poly gt

We have determined the charge density of dna-cnt hybrids by capillary electrophoresis measurements and have shown these are consistent with a dna beta-barrel model

“Measurement of Electrostatic Properties of DNA-Carbon Nanotube Hybrids by Capillary Electrophoresis,” C. Khripin, S. Manohar, M. Zheng, A. Jagota, Journal of Physical Chemistry C, DOI: 10.1021/jp903197d (2009)

(August 2007)

DNA_CNT dynamics movie (also contains another unrelated experiment)


Lateral motion of bases is relatively facile with a 2kT barrier between energy minima.

Suresh Manohar, Tian Tang, Anand Jagota, "Structure of Homopolymer DNA-CNT Hybrids, J. Phys. Chem. C, ASAP Article 10.1021/jp071316x S1932-7447(07)01316-7.