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Proton‐observed carbon‐edited NMR spectroscopy in strongly coupled second‐order spin systems
Author(s) -
Henry PierreGilles,
Marjanska Malgorzata,
Walls Jamie D.,
Valette Julien,
Gruetter Rolf,
Uǧurbil Kâmil
Publication year - 2006
Publication title -
magnetic resonance in medicine
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.696
H-Index - 225
eISSN - 1522-2594
pISSN - 0740-3194
DOI - 10.1002/mrm.20764
Subject(s) - proton , spectroscopy , chemistry , multiplet , nuclear magnetic resonance spectroscopy , spectral line , chemical shift , carbon 13 nmr satellite , spin (aerodynamics) , nuclear magnetic resonance , nmr spectra database , resolution (logic) , order (exchange) , fluorine 19 nmr , analytical chemistry (journal) , physics , stereochemistry , nuclear physics , finance , quantum mechanics , astronomy , artificial intelligence , chromatography , computer science , economics , thermodynamics
Proton‐observed carbon‐edited (POCE) NMR spectroscopy is commonly used to measure 13 C labeling with higher sensitivity compared to direct 13 C NMR spectroscopy, at the expense of spectral resolution. For weakly coupled first‐order spin systems, the multiplet signal at a specific proton chemical shift in POCE spectra directly reflects 13 C enrichment of the carbon attached to this proton. The present study demonstrates that this is not necessarily the case for strongly coupled second‐order spin systems. In such cases NMR signals can be detected in the POCE spectra even at chemical shifts corresponding to protons bound to 12 C. This effect is demonstrated theoretically with density matrix calculations and simulations, and experimentally with measured POCE spectra of [3‐ 13 C]glutamate. Magn Reson Med, 2006. © 2006 Wiley‐Liss, Inc.