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Translocation and encapsulation of siRNA inside carbon nanotubes

Mogurampelly, Santosh and Maiti, Prabal K (2013) Translocation and encapsulation of siRNA inside carbon nanotubes. In: JOURNAL OF CHEMICAL PHYSICS, 138 (3).

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Official URL: http://dx.doi.org/10.1063/1.4773302


We report spontaneous translocation of small interfering RNA (siRNA) inside carbon nanotubes (CNTs) of various diameters and chirality using all atom molecular dynamics simulations with explicit solvent. We use umbrella sampling method to calculate the free energy landscape of the siRNA entry and translocation event. Free energy profiles show that siRNA gains free energy while translocating inside CNT, and barrier for siRNA exit from CNT ranges from 40 to 110 kcal/mol depending on CNT chirality and salt concentration. The translocation time tau decreases with the increase of CNT diameter with a critical diameter of 24 angstrom for the translocation. In contrast, double strand DNA of the same sequence does not translocate inside CNT due to large free energy barrier for the translocation. This study helps in understanding the nucleic acid transport through nanopores at microscopic level and may help designing carbon nanotube based sensor for siRNA. (C) 2013 American Institute of Physics. http://dx.doi.org/10.1063/1.4773302]

Item Type: Journal Article
Additional Information: Copyright for this article belongs to AMER INST PHYSICS, MELVILLE,USA
Department/Centre: Division of Physical & Mathematical Sciences > Physics
Date Deposited: 28 Feb 2013 08:30
Last Modified: 28 Feb 2013 08:30
URI: http://eprints.iisc.ac.in/id/eprint/45849

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