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The design of simulations of free evolution in dipolar-coupled nuclear-spin systems using low-order correlations in Liouville space (LCL) is discussed, and a computational scheme relying on the Suzuki-Trotter algorithm and involving minimal memory requirem ...
Slow dynamic processes, such as biomolecular folding/unfolding, macromolecular diffusion, etc., can be conveniently monitored by solution-state two-dimensional (2D) NMR spectroscopy, provided the inverse of their rate constants does not exceed the nuclear ...
Major breakthroughs have recently been reported that can help overcome two inherent drawbacks of NMR: the lack of sensitivity and the limited memory of longitudinal magnetization. Dynamic nuclear polarization (DNP) couples nuclear spins to the large reserv ...
Multiple refocusing cycles can be used to extract transverse relaxation rates, R2, while homonuclear scalar couplings do not interfere. In this work, I have demonstrated the usefulness of a hybrid sequence, which is a compromise between single and multiple ...
Nuclear magnetic relaxation in the presence of paramagnetic centres has gained increasing interest in recent years partly due to its importance for contrast agents in magnetic resonance imaging. Rational design of new more efficient agents is possible as a ...
Proton-observed carbon-edited (POCE) NMR spectroscopy is commonly used to measure 13C labeling with higher sensitivity compared to direct 13C NMR spectroscopy, at the expense of spectral resolution. For weakly coupled first-order spin systems, the multiple ...
Nuclear magnetic resonance is a powerful nonintrusive technique for measuring diffusion coefficients through the use of pulsed field gradients. The main limitation to the application range of this method is imposed by the relaxation time constants of the m ...
The performance of deuterium-carbon correlation (DECOR) spectroscopy for the assignment and measurement of deuterium quadrupolar couplings in fully deuterated liquid crystalline phases is analyzed. The experiment relies on a broadband polarization transfer ...
The modulation of spin echoes by homonuclear scalar couplings render the determination of transverse relaxation rates of individual spins difficult, in particular for molecules that are isotopically enriched in 13C or 15N, and for all molecules with scalar ...
Small diffusion coeffs. can be measured by using populations of singlet states that have a relaxation time const., Ts, which can be much longer than the longitudinal relaxation time, T1. Spatial information can be encoded with pulsed field gradients in the ...