Detailed analysis of the TIMES and TIMES0 high-resolution MAS methods for high-resolution proton NMR. 2012

Xingyu Lu, and Olivier Lafon, and Julien Trébosc, and Aany Sofia Lilly Thankamony, and Yusuke Nishiyama, and Zhehong Gan, and P K Madhu, and Jean-Paul Amoureux
UCCS (CNRS-8181), University Lille North of France, Villeneuve d'Ascq 59652, France.

We analyze and compare the specifications of TIMES and TIMES(0) proton high-resolution NMR methods for solid-state samples. This comparison is performed in terms of resolution versus magic-angle spinning (MAS) spinning speed, ν(R), rf-field amplitude, ν(1), and tilt-angle for the effective rf-field, θ(p). The chemical-shift and homo-nuclear dipolar scaling factors are calculated for both methods. For all MAS speeds, the best resolution is always observed with rf-field of ν(1)≈120-130 kHz. At slow MAS speed (ν(R)≤10 kHz), the best resolution is observed for a tilt-angle of θ(P)≈90°. At moderate spinning speed (15≤ν(R)≤35 kHz), θ(P)≈55° gives the best resolution. At higher MAS speed (ν(R)≥60 kHz), with TIMES and TIMES(0) the best resolution is obtained for θ(P)≤40°; but we then recommend TIMES(0), owing to its simpler set-up. We also show that in addition to the usual high rf-field regime (ν(1)≈120-130 kHz), another low rf-regime (ν(1)≈40-50 kHz) exists at MAS speed higher than ν(R)≥60 kHz, which also gives a good (1)H resolution. This low rf-regime should be useful for multi-dimensional analyses of bio-molecules with (1)H detection under high-resolution, in order to limit the heating of the sample.

UI MeSH Term Description Entries
D009682 Magnetic Resonance Spectroscopy Spectroscopic method of measuring the magnetic moment of elementary particles such as atomic nuclei, protons or electrons. It is employed in clinical applications such as NMR Tomography (MAGNETIC RESONANCE IMAGING). In Vivo NMR Spectroscopy,MR Spectroscopy,Magnetic Resonance,NMR Spectroscopy,NMR Spectroscopy, In Vivo,Nuclear Magnetic Resonance,Spectroscopy, Magnetic Resonance,Spectroscopy, NMR,Spectroscopy, Nuclear Magnetic Resonance,Magnetic Resonance Spectroscopies,Magnetic Resonance, Nuclear,NMR Spectroscopies,Resonance Spectroscopy, Magnetic,Resonance, Magnetic,Resonance, Nuclear Magnetic,Spectroscopies, NMR,Spectroscopy, MR
D011522 Protons Stable elementary particles having the smallest known positive charge, found in the nuclei of all elements. The proton mass is less than that of a neutron. A proton is the nucleus of the light hydrogen atom, i.e., the hydrogen ion. Hydrogen Ions,Hydrogen Ion,Ion, Hydrogen,Ions, Hydrogen,Proton
D004574 Electromagnetic Fields Fields representing the joint interplay of electric and magnetic forces. Electromagnetic Field,Field, Electromagnetic,Fields, Electromagnetic
D005998 Glycine A non-essential amino acid. It is found primarily in gelatin and silk fibroin and used therapeutically as a nutrient. It is also a fast inhibitory neurotransmitter. Aminoacetic Acid,Glycine, Monopotassium Salt,Glycine Carbonate (1:1), Monosodium Salt,Glycine Carbonate (2:1), Monolithium Salt,Glycine Carbonate (2:1), Monopotassium Salt,Glycine Carbonate (2:1), Monosodium Salt,Glycine Hydrochloride,Glycine Hydrochloride (2:1),Glycine Phosphate,Glycine Phosphate (1:1),Glycine Sulfate (3:1),Glycine, Calcium Salt,Glycine, Calcium Salt (2:1),Glycine, Cobalt Salt,Glycine, Copper Salt,Glycine, Monoammonium Salt,Glycine, Monosodium Salt,Glycine, Sodium Hydrogen Carbonate,Acid, Aminoacetic,Calcium Salt Glycine,Cobalt Salt Glycine,Copper Salt Glycine,Hydrochloride, Glycine,Monoammonium Salt Glycine,Monopotassium Salt Glycine,Monosodium Salt Glycine,Phosphate, Glycine,Salt Glycine, Monoammonium,Salt Glycine, Monopotassium,Salt Glycine, Monosodium
D000465 Algorithms A procedure consisting of a sequence of algebraic formulas and/or logical steps to calculate or determine a given task. Algorithm
D000588 Amines A group of compounds derived from ammonia by substituting organic radicals for the hydrogens. (From Grant & Hackh's Chemical Dictionary, 5th ed) Amine

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