Backbone Assignment of Fully Protonated Solid Proteins by 1H Detection and Ultrafast Magic-Angle-Spinning NMR Spectroscopy
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We present two sequences which combine (H-1,N-15) and (N-15,C-13) selective cross-polarization steps with an efficient variant of the J-based homonuclear transfer scheme, in which a spin-state-selective ((SE)-E-3) block is incorporated to improve both reso ...
Nuclear magnetic resonance (NMR) was discovered in the first half of the 20th century. Today, neither analytical chemistry without NMR spectroscopy nor medical diagnostics without magnetic resonance imaging (MRI) could be imagined. A magnetic resonance sig ...
The quasi-equilibrium behaviour of isolated nuclear spin systems in full and reduced Liouville spaces is discussed. We focus in particular on the reduced Liouville spaces used in the low-order correlations in Liouville space (LCL) simulation method, a rest ...
The spin echo is the single most important building block in modern NMR spectroscopy, but echo modulation by scalar couplings J can severely complicate its use. We show for the first time that a general but unacknowledged solution to such complications alr ...
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 ...
This thesis describes new methods for the detection of 14N nuclei by solid-state nuclear magnetic resonance. So far, the low natural abundance (0.4 %) 15N isotope has been widely used to study nitrogen-containing samples because of its spin-1/2 nature. The ...
Sensitivity in Nuclear Magnetic Resonance (NMR), especially in solid-state NMR, has always been a challenging and important issue and thus a motivation for new developments. The magnetic field B0, the gyromagnetic ratios of the observed nuclei, as well as ...
The document relates to a method for the determination of the binding properties of at least one first chemical compound to at least one second chemical compound between a free essentially dissociated state and a bound essentially associated state by using ...
In this article, a formal expression for the conformational entropy of a bond vector in a protein is derived using the networks of coupled rotators model for the description of internal dynamics. Analytical relationships between NMR order parameters and co ...
The molecular dynamics of a series of organometallic complexes covalently bound to amorphous silica surfaces is determined experimentally using solid-state nuclear magnetic resonance (NMR) spectroscopy and density functional theory calculations (DFT). The ...