A computer program for fast and accurate numerical simulation of solid-state NMR experiments is described. The program is designed to emulate a NMR spectrometer by letting the user specify high-level NMR concepts such as spin systems, nuclear spin…
Nuclear Magnetic Resonance
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331,338 papers
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The measurement of dipolar contributions to the splitting of 15N resonances of 1H-15N amide pairs in multidimensional high-field NMR spectra of field-oriented cyanometmyoglobin is reported. The splittings appear as small field-dependent…
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In the course of the routine use of NMR as an aid for organic chemistry, a day-to-day problem is the identifica- tion of signals deriving from common contaminants (water, solvents, stabilizers, oils) in less-than-analyti- cally-pure samples. This…
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Spin and spatial tensor manipulations are frequently required to describe the theory of NMR experiments. A Mathematica package is presented here, which provides some of the most common functions for these calculations. Examples are the calculation…
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Two recently proposed 13C13C recoupling methods under magic angle spinning (MAS), resonant interference recoupling (RIR), and 13C1H dipolar-assisted rotational resonance (DARR), are examined on a common theoretical foundation using the average…
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This article analyzes the influence of the radiofrequency mixing scheme on the sign of phase shifts experienced by the nuclear spins. It is an addendum to a previous article on the signs of phases and frequencies in NMR (M. H. Levitt, J. Magn.…
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RDCs for the 14kDa protein hen egg-white lysozyme (HEWL) have been measured in eight different alignment media. The elongated shape and strongly positively charged surface of HEWL appear to limit the protein to four main alignment orientations.…
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Théorie de la relaxivité du paramagnétisme
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Even as available magnetic fields for NMR continue to increase, resolution remains one of the most critical limitations in assigning and solving structures of larger biomolecules. Here we present a novel constant-time through-bond correlation…
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The advent of different lanthanide-binding reagents has made site-specific labelling of proteins with paramagnetic lanthanides a viable proposition. This brings many powerful techniques originally established and demonstrated for paramagnetic…
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NMR spectroscopy plays a major role in the determination of the structures and dynamics of proteins and other biological macromolecules. Chemical shifts are the most readily and accurately measurable NMR parameters, and they reflect with great…
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The backbone dynamics of the C-terminal SH2 domain of phospholipase C gamma 1 have been investigated. Two forms of the domain were studied, one in complex with a high-affinity binding peptide derived from the platelet-derived growth factor receptor…
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NMR chemical shifts provide important local structural information for proteins and are key in recently described protein structure generation protocols. We describe a new chemical shift prediction program, SPARTA+, which is based on artificial…
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A double nuclear resonance spectroscopy method is introduced which depends upon effects of magnetic dipole-dipole coupling between two different nuclear species. In solids a minimum detectability of the order of 10 14 to 10 16 nuclear Bohr…
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Based on a foundation of a well-documented Brånemark implant experience and the most advanced sound processing technology from Oticon, Oticon Medical introduced in 2009 a new bone-anchored hearing system, the Ponto system. Although the principle of…
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Fast transverse relaxation of 1H, 15N, and 13C by dipole-dipole coupling (DD) and chemical shift anisotropy (CSA) modulated by rotational molecular motions has a dominant impact on the size limit for biomacromolecular structures that can be studied…
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A new 13C-13C recoupling mechanism which occurs under magic-angle spinning (MAS) is presented. The mechanism can basically be attributed to rotational resonance (R2), but the conventional R2 condition is modified by a recoupled 13C-1H dipolar…
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Chemical shifts of nuclei in or attached to a protein backbone are exquisitely sensitive to their local environment. A computer program, SPARTA, is described that uses this correlation with local structure to predict protein backbone chemical…
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Assistant ProfessorCali, Colombia -
Other ProfessionalMoscow, Russia -
Ph.D. StudentLipoScience Inc. -
Ph.D. StudentDept. of Chemistry, University of Cambridge -
Post DocDepartment of Biochemistry, University of Toronto