Dynamic Studies through Control of Relaxation in NMR Spectroscopy
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We demonstrate that a quantitative measure of slow molecular motions in solid proteins can be accessed by measuring site-specific N-15 rotating-frame relaxation rates at high magic-angle-spinning frequencies. ...
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 ...
In solids spinning at the magic angle, the indirect detection of single-quantum (SQ) and double-quantum (DQ) N-14 spectra (l = 1) via spy nuclei S = 1/2 such as protons can be achieved in the manner of heteronuclear single- or multiple-quantum correlation ...
Protein interactions are important for understanding many molecular mechanisms underlying cellular processes. So far, interfaces between interacting proteins have been characterized by NMR spectroscopy mostly by using chemical shift perturbations and cross ...
A train of short rotor-synchronized pulses in the manner of Delays Alternating with Nutations for Tailored Excitation (DANTE) applied to nitrogen-14 nuclei (I = 1) in samples spinning at the magic angle at high frequencies (typically nu(rot) = 62.5 kHz so ...
A relationship between the dipolar and the chemical-shift scaling factors of cyclic radio-frequency irradiation schemes is introduced. This scaling factor theorem is derived analytically using Average Hamiltonian Theory, and its validity is illustrated num ...
A model for calculating the influence of anisotropic collective motions on NMR relaxation rates in crystalline proteins is presented. We show that small-amplitude (
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 ...
Long-lived coherences (LLCs) in homonuclear pairs of chemically inequivalent spins can be excited and sustained during protracted radio frequency irradiation periods that alternate with brief windows for signal observation. Fourier transformation of the su ...
Multiple quantum relaxation in proteins reveals unexpected relationships between correlated or anti-correlated conformational backbone dynamics in alpha-helices or beta-sheets. The contributions of conformational exchange to the relaxation rates of C'N coh ...