The REDOR transform: direct calculation of internuclear couplings from dipolar-dephasing NMR data

K. T. Mueller; T. P. Jarvie; D. J. Aurentz; B. W. RobertS

doi:10.1016/0009-2614(95)00773-W

The REDOR transform: direct calculation of internuclear couplings from dipolar-dephasing NMR data

K. T. Mueller
, T. P. Jarvie
, D. J. Aurentz
, B. W. RobertS

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

125 Scopus citations

Abstract

Rotational-echo double-resonance (REDOR) is a dipolar-dephasing NMR technique that provides measurement of dipolar couplings between nuclei in solids, and therefore allows calculation of internuclear distances. Time-domain REDOR dephasing signals do not oscillate in a periodic manner, and the analysis of frequency- and time-domain signals is complicated when discrete or continuous distributions of couplings are present. We introduce a new analytic transform method, analogous to a Fourier transform, that produces resonances at the dipolar coupling frequencies present in the REDOR signal. Computer simulations are used to demonstrate and explore details of the REDOR transform.

Original language	English (US)
Pages (from-to)	535-542
Number of pages	8
Journal	Chemical Physics Letters
Volume	242
Issue number	6
DOIs	https://doi.org/10.1016/0009-2614(95)00773-W
State	Published - Sep 1 1995

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0009-2614(95)00773-W

Cite this

@article{b6138f763c27413794f8d13c03b795b8,

title = "The REDOR transform: direct calculation of internuclear couplings from dipolar-dephasing NMR data",

abstract = "Rotational-echo double-resonance (REDOR) is a dipolar-dephasing NMR technique that provides measurement of dipolar couplings between nuclei in solids, and therefore allows calculation of internuclear distances. Time-domain REDOR dephasing signals do not oscillate in a periodic manner, and the analysis of frequency- and time-domain signals is complicated when discrete or continuous distributions of couplings are present. We introduce a new analytic transform method, analogous to a Fourier transform, that produces resonances at the dipolar coupling frequencies present in the REDOR signal. Computer simulations are used to demonstrate and explore details of the REDOR transform.",

author = "Mueller, \{K. T.\} and Jarvie, \{T. P.\} and Aurentz, \{D. J.\} and RobertS, \{B. W.\}",

note = "Funding Information: The authors wish to thank Dr. Gregory Went and Dr. Michael Teter for helpful discussions and encouragement. We thank CuraGen Corporation for partial financial support. This work was supported in part by the Camille and Henry Dreyfus New Faculty Awards Program and the Exxon Education Foundation. Acknowledgment is made to the Donors of the Petroleum Research Fund, administered by the American Chemical Society, for partial support of this research. This report is also based upon work supported by the National Science Foundation under Grant No. DMR-9458053.",

year = "1995",

month = sep,

day = "1",

doi = "10.1016/0009-2614(95)00773-W",

language = "English (US)",

volume = "242",

pages = "535--542",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier B.V.",

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TY - JOUR

T1 - The REDOR transform

T2 - direct calculation of internuclear couplings from dipolar-dephasing NMR data

AU - Mueller, K. T.

AU - Jarvie, T. P.

AU - Aurentz, D. J.

AU - RobertS, B. W.

N1 - Funding Information: The authors wish to thank Dr. Gregory Went and Dr. Michael Teter for helpful discussions and encouragement. We thank CuraGen Corporation for partial financial support. This work was supported in part by the Camille and Henry Dreyfus New Faculty Awards Program and the Exxon Education Foundation. Acknowledgment is made to the Donors of the Petroleum Research Fund, administered by the American Chemical Society, for partial support of this research. This report is also based upon work supported by the National Science Foundation under Grant No. DMR-9458053.

PY - 1995/9/1

Y1 - 1995/9/1

N2 - Rotational-echo double-resonance (REDOR) is a dipolar-dephasing NMR technique that provides measurement of dipolar couplings between nuclei in solids, and therefore allows calculation of internuclear distances. Time-domain REDOR dephasing signals do not oscillate in a periodic manner, and the analysis of frequency- and time-domain signals is complicated when discrete or continuous distributions of couplings are present. We introduce a new analytic transform method, analogous to a Fourier transform, that produces resonances at the dipolar coupling frequencies present in the REDOR signal. Computer simulations are used to demonstrate and explore details of the REDOR transform.

AB - Rotational-echo double-resonance (REDOR) is a dipolar-dephasing NMR technique that provides measurement of dipolar couplings between nuclei in solids, and therefore allows calculation of internuclear distances. Time-domain REDOR dephasing signals do not oscillate in a periodic manner, and the analysis of frequency- and time-domain signals is complicated when discrete or continuous distributions of couplings are present. We introduce a new analytic transform method, analogous to a Fourier transform, that produces resonances at the dipolar coupling frequencies present in the REDOR signal. Computer simulations are used to demonstrate and explore details of the REDOR transform.

UR - https://www.scopus.com/pages/publications/0000661497

UR - https://www.scopus.com/pages/publications/0000661497#tab=citedBy

U2 - 10.1016/0009-2614(95)00773-W

DO - 10.1016/0009-2614(95)00773-W

M3 - Article

AN - SCOPUS:0000661497

SN - 0009-2614

VL - 242

SP - 535

EP - 542

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 6

ER -

The REDOR transform: direct calculation of internuclear couplings from dipolar-dephasing NMR data

Abstract

All Science Journal Classification (ASJC) codes

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