Dynamics of DNA encapsulated in a hydrophobic nanotube

Edmond Y Lau; Felice C Lightstone; Michael E. Colvin

doi:10.1016/j.cplett.2005.05.129

Dynamics of DNA encapsulated in a hydrophobic nanotube

Edmond Y Lau, Felice C Lightstone, Michael E. Colvin

Research output: Contribution to journal › Article › peer-review

28 Scopus citations

Abstract

The structural effects on DNA double helices of confinement in hydrophobic nanotubes (NT) with 30 and 40 Å diameters have been studied by classical molecular dynamics. For systems with the counter ions included inside the NT, there is little effect on the average DNA secondary structure relative to unconfined DNA. The DNA confined to the 40 Å NT shows little change in thermal fluctuations compared to unconfined DNA; however, a decrease is observed in the 30 Å NT. Finally, exclusion of ions from the NT leads to structures that deviate significantly from both canonical A- and B-DNA. Published by Elsevier B.V.

Original language	English (US)
Pages (from-to)	82-87
Number of pages	6
Journal	Chemical Physics Letters
Volume	412
Issue number	1-3
DOIs	https://doi.org/10.1016/j.cplett.2005.05.129
State	Published - Aug 25 2005
Externally published	Yes

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Spectroscopy
Atomic and Molecular Physics, and Optics
Surfaces and Interfaces
Condensed Matter Physics

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10.1016/j.cplett.2005.05.129

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title = "Dynamics of DNA encapsulated in a hydrophobic nanotube",

abstract = "The structural effects on DNA double helices of confinement in hydrophobic nanotubes (NT) with 30 and 40 {\AA} diameters have been studied by classical molecular dynamics. For systems with the counter ions included inside the NT, there is little effect on the average DNA secondary structure relative to unconfined DNA. The DNA confined to the 40 {\AA} NT shows little change in thermal fluctuations compared to unconfined DNA; however, a decrease is observed in the 30 {\AA} NT. Finally, exclusion of ions from the NT leads to structures that deviate significantly from both canonical A- and B-DNA. Published by Elsevier B.V.",

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AU - Lightstone, Felice C

AU - Colvin, Michael E.

PY - 2005/8/25

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N2 - The structural effects on DNA double helices of confinement in hydrophobic nanotubes (NT) with 30 and 40 Å diameters have been studied by classical molecular dynamics. For systems with the counter ions included inside the NT, there is little effect on the average DNA secondary structure relative to unconfined DNA. The DNA confined to the 40 Å NT shows little change in thermal fluctuations compared to unconfined DNA; however, a decrease is observed in the 30 Å NT. Finally, exclusion of ions from the NT leads to structures that deviate significantly from both canonical A- and B-DNA. Published by Elsevier B.V.

AB - The structural effects on DNA double helices of confinement in hydrophobic nanotubes (NT) with 30 and 40 Å diameters have been studied by classical molecular dynamics. For systems with the counter ions included inside the NT, there is little effect on the average DNA secondary structure relative to unconfined DNA. The DNA confined to the 40 Å NT shows little change in thermal fluctuations compared to unconfined DNA; however, a decrease is observed in the 30 Å NT. Finally, exclusion of ions from the NT leads to structures that deviate significantly from both canonical A- and B-DNA. Published by Elsevier B.V.

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Dynamics of DNA encapsulated in a hydrophobic nanotube

Abstract

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