期刊
MAGNETIC RESONANCE IN MEDICINE
卷 55, 期 2, 页码 250-257出版社
JOHN WILEY & SONS INC
DOI: 10.1002/mrm.20764
关键词
POCE NMR spectroscopy; glutamate; strong coupling; C-13 editing; density matrix simulation
资金
- NCRR NIH HHS [P41RR00789] Funding Source: Medline
- NINDS NIH HHS [R01NS38672] Funding Source: Medline
Proton-observed carbon-edited (POCE) NMR spectroscopy is commonly used to measure C-13 labeling with higher sensitivity compared to direct C-13 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 C-12. This effect is demonstrated theoretically with density matrix calculations and simulations, and experimentally with measured POCE spectra of [3-C-13]glutamate.
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