31P NMR correlation maps of 18O/16O chemical shift isotopic effects for phosphometabolite labeling studies

Nenad Juranić, Emirhan Nemutlu, Song Zhang, Petras P Dzeja, Andre Terzic, Slobodan I Macura

Research output: Contribution to journalArticle

6 Scopus citations


Intramolecular correlations among the 18O-labels of metabolic oligophosphates, mapped by J-decoupled 31P NMR 2D chemical shift correlation spectroscopy, impart stringent constraints to the 18O-isotope distributions over the whole oligophosphate moiety. The multiple deduced correlations of isotopic labels enable determination of site-specific fractional isotope enrichments and unravel the isotopologue statistics. This approach ensures accurate determination of 18O- labeling rates of phosphometabolites, critical in biochemical energy conversion and metabolic flux transmission. The biological usefulness of the J-decoupled 31P NMR 2D chemical shift correlation maps was validated on adenosine tri-phosphate fractionally 18O labeled in perfused mammalian hearts.

Original languageEnglish (US)
Pages (from-to)237-245
Number of pages9
JournalJournal of Biomolecular NMR
Issue number3
StatePublished - Jul 2011



  • O/O isotopic effects
  • P NMR chemical shift correlation
  • ATP turnover
  • High-energy phosphoryl dynamics
  • Isotopologue distribution
  • Oxygen-18
  • Phosphometabolomics
  • Phosphotransfer

ASJC Scopus subject areas

  • Spectroscopy
  • Biochemistry

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