Ring‐current effects in the nmr of nucleic acids: A graphical approach

Claude Giessner‐Prettre; Bernard Pullman; Philip N. Borer; Lou‐Sing ‐S Kan; Paul O.P. Ts'O

doi:10.1002/bip.1976.360151114

Ring‐current effects in the nmr of nucleic acids: A graphical approach

Claude Giessner‐Prettre, Bernard Pullman, Philip N. Borer, Lou‐Sing ‐S Kan, Paul O.P. Ts'O

Department of Chemistry

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

170 Scopus citations

Abstract

The spatial dependence of the ring‐current magnetic anisotropy of nucleic acid bases is presented in a series of graphs in cylindrical coordinates. The curves may be used to calculate the ring‐current shift at a point in a cylinder of radius 10Å extending 8 Å above and below each ring of the base. These distance effects are found to influence considerably the predicted chemical shifts of nucleic acid protons, particularly in RNA duplexes. The contribution of polarization (electric field) effects and the diamagnetic anisotropy of individual atoms (local Δ_χ) are briefly discussed.

Original language	English (US)
Pages (from-to)	2277-2286
Number of pages	10
Journal	Biopolymers
Volume	15
Issue number	11
DOIs	https://doi.org/10.1002/bip.1976.360151114
State	Published - Nov 1976

ASJC Scopus subject areas

Biophysics
Biochemistry
Biomaterials
Organic Chemistry

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abstract = "The spatial dependence of the ring‐current magnetic anisotropy of nucleic acid bases is presented in a series of graphs in cylindrical coordinates. The curves may be used to calculate the ring‐current shift at a point in a cylinder of radius 10{\AA} extending 8 {\AA} above and below each ring of the base. These distance effects are found to influence considerably the predicted chemical shifts of nucleic acid protons, particularly in RNA duplexes. The contribution of polarization (electric field) effects and the diamagnetic anisotropy of individual atoms (local Δχ) are briefly discussed.",

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year = "1976",

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AU - Giessner‐Prettre, Claude

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AU - Borer, Philip N.

AU - Kan, Lou‐Sing ‐S

AU - Ts'O, Paul O.P.

PY - 1976/11

Y1 - 1976/11

N2 - The spatial dependence of the ring‐current magnetic anisotropy of nucleic acid bases is presented in a series of graphs in cylindrical coordinates. The curves may be used to calculate the ring‐current shift at a point in a cylinder of radius 10Å extending 8 Å above and below each ring of the base. These distance effects are found to influence considerably the predicted chemical shifts of nucleic acid protons, particularly in RNA duplexes. The contribution of polarization (electric field) effects and the diamagnetic anisotropy of individual atoms (local Δχ) are briefly discussed.

AB - The spatial dependence of the ring‐current magnetic anisotropy of nucleic acid bases is presented in a series of graphs in cylindrical coordinates. The curves may be used to calculate the ring‐current shift at a point in a cylinder of radius 10Å extending 8 Å above and below each ring of the base. These distance effects are found to influence considerably the predicted chemical shifts of nucleic acid protons, particularly in RNA duplexes. The contribution of polarization (electric field) effects and the diamagnetic anisotropy of individual atoms (local Δχ) are briefly discussed.

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JO - Biopolymers

JF - Biopolymers

IS - 11

ER -

Ring‐current effects in the nmr of nucleic acids: A graphical approach

Abstract

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