Improving the performance of J-modulated ADEQUATE experiments through homonuclear decoupling and non-uniform sampling.
Homonuclear13C-13C couplings at natural abundance can be measured using the J-modulated Adequate DoublE QUAntumTransfer Experiment (ADEQUATE) experiment. To somewhat ameliorate F1digitization requirements, a scaling factor was incorporated into the original pulse sequence. Non-uniform sampling provides an obvious avenue to further facilitate the acquisition of1JCCandnJCChomonuclear coupling constant data. We introduce homonuclear decoupling (HD) analogous to that described for the 1,1-HD-ADEQUATE and 1,n-HD-ADEQUATE experiments and evaluate the combination of non-uniform sampling and HD on the acquisition of both1JCCandnJCChomonuclear13C-13C coupling constants using ibuprofen as a model compound. Copyright © 2015 John Wiley & Sons, Ltd.
Process and Analytical Chemistry, NMR Structure Elucidation, Merck Research Laboratories, Rahway, NJ, 07065, USA.
Josep
J
Saurí
Servei de Ressonància Magnètica Nuclear, Universitat Autònoma de Barcelona, 08193, Bellaterra (Barcelona), Catalonia, Spain.
Teodor
T
Parella
Process and Analytical Chemistry, NMR Structure Elucidation, Merck Research Laboratories, Rahway, NJ, 07065, USA.
R Thomas
RT
Williamson
Process and Analytical Chemistry, NMR Structure Elucidation, Merck Research Laboratories, Rahway, NJ, 07065, USA.
Gary E
GE
Martin
D000465:Algorithms; D002247:Carbon Isotopes; D007052:Ibuprofen / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*
D002247:Carbon Isotopes; D007052:Ibuprofen
13C-13C homonuclear coupling constants; ADEQUATE; J-modulated ADEQUATE; broadband homonuclear decoupling; non-uniform sampling (NUS)