Improving solid-state NMR dipolar recoupling by optimal control.
We present the first solid-state NMR experiments developed using optimal control theory. Taking heteronuclear dipolar recoupling in magic-angle-spinning NMR as an example, it proves possible to significantly improve the efficiency of the experiments while introducing robustness toward instrumental imperfections such as radio frequency inhomogeneity. The improvements are demonstrated by numerical simulations as well as practical experiments on a 13Calpha,15N-labeled powder of glycine. The experiments demonstrate a gain of 53% in the efficiency for 15N to 13Calpha coherence transfer relative to the typically double-cross-polarization experiments.
Interdisciplinary Nanoscience Center (iNANO) and Laboratory for Biomolecular NMR Spectroscopy, Department of Chemistry, University of Aarhus, DK-8000 Aarhus C, Denmark.
Cindie T
CT
Kehlet
Astrid C
AC
Sivertsen
Morten
M
Bjerring
Timo O
TO
Reiss
Navin
N
Khaneja
Steffen J
SJ
Glaser
Niels Chr
NC
Nielsen
D002247:Carbon Isotopes; D005998:Glycine / Q000737:chemistry; D009587:Nitrogen Isotopes; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*
D002247:Carbon Isotopes; D009587:Nitrogen Isotopes; D005998:Glycine