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research article

Double-quantum z-filtered NMR spectra and automated analysis by pattern recognition

Novic, Marjana
•
Oschkinat, Hartmut
•
Pfaendler, Peter
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1987
Journal of Magnetic Resonance [1969-1992]

A simple variation of double-quantum spectroscopy is described where the transfer of double- into single-quantum coherence is carried out by means of 2 pulses with small flip angles via eigenstate populations and zero-quantum coherences. For systems with 4 or more spins, the sensitivity of the new expt. is comparable to or better than that of conventional double-quantum spectroscopy with a single 90 Deg monitoring pulse. The resulting spectra feature simple 2D multiplets that are composed of juxtapositions of antiphase doublets. The inclusion of pathways involving zero-quantum coherences greatly simplifies exptl. procedures but leads to small deviations from pure 2D absorption peak shapes in systems with 3 or more spins. A simple variation of the technique yields a complementary 2D spectrum which is useful for automated anal. by pattern recognition techniques. Algorithms are described that allow one to det. the topol. of the coupling network and the values of the shifts and coupling consts. The likelihood that a postulated topol. is correct may be detd. from the degree of consistency between expected and exptl. remote multiplets in double-quantum spectra. [on SciFinder (R)]

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Type
research article
DOI
10.1016/0022-2364(87)90012-6
Author(s)
Novic, Marjana
Oschkinat, Hartmut
Pfaendler, Peter
Bodenhausen, Geoffrey  
Date Issued

1987

Publisher

Academic Press

Published in
Journal of Magnetic Resonance [1969-1992]
Volume

73

Issue

3

Start page

493

End page

511

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LRMB  
Available on Infoscience
February 22, 2006
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/225508
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