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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We introduce an improved variant of the C7 pulse-sequence for efficient recoupling of spin-1/2 pair dipolar interactions in magic-angle spinning solid-state NMR spectroscopy. The tolerance of C7 toward isotropic as well as anisotropic chemical shift…
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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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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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Fast multidimensional NMR with a time resolution of a few seconds provides a new tool for high throughput screening and site-resolved real-time studies of kinetic molecular processes by NMR. Recently we have demonstrated the feasibility to record…
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A simple two pulse phase modulation (TPPM) scheme greatly reduces the residual Linewidths arising from insufficient proton decoupling power in double resonance magic angle spinning (MAS) experiments. Optimization of pulse lengths and phases-in the…
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Solid state 13C magic angle spinning (MAS) NMR spectra are typically referenced externally using a probe which does not incorporate a field frequency lock. Solution NMR shifts on the other hand are more often determined with respect to an internal…
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NMR is an integral component of the drug discovery process with applications in lead discovery, validation, and optimization. NMR is routinely used for fragment-based ligand affinity screens, high-resolution protein structure determination, and…
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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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Abragam and Pound's method for the calculation of the longitudinal relaxation time T1 has been extended to the transverse relaxation time T2. Explicit calculations have been carried out for a pure dipole-dipole interaction, showing that for an…
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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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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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We describe three-dimensional magic-angle-spinning NMR experiments for the simultaneous measurement of multiple carbon-nitrogen distances in uniformly (13)C,(15)N-labeled solids. The approaches employ transferred echo double resonance (TEDOR) for…
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Proton-driven 13C spin diffusion (PDSD) is a simple and robust two-dimensional NMR experiment. It leads to spectra with a high signal-to-noise ratio in which cross-peaks contain information about internuclear distances. We show that the total…
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The acquisition of multidimensional NMR spectra can be speeded up by a large factor by a projection-reconstruction method related to a technique used in X-ray scanners. The information from a small number of plane projections is used to recreate the…
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We demonstrate here a new windowed multiple pulse sequence for the detection of protons in solid state NMR. Acquisition windows are inserted in the phase modulated LeeGoldburg scheme (PMLG). This enables one-dimensional acquisition as against…
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Translational diffusion is the most fundamental form of transport in chemical and biochemical systems. Pulsed-field gradient nuclear magnetic resonance provides a convenient and noninvasive means for measuring translational motion. In this method…
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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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This text is aimed at people who have some familiarity with high-resolution NMR and who wish to deepen their understanding of how NMR experiments actually 'work'. This revised and updated edition takes the same approach as the highly-acclaimed first…
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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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Ph.D. StudentDept. of Chemistry, University of Cambridge -
Ph.D. StudentLipoScience Inc. -
Post DocDepartment of Biochemistry, University of Toronto -
Other ProfessionalMoscow, Russia -
Researcher (at a non-Academic Institution)Summit, New Jersey, United States