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Pseudocontact shift

WebJul 15, 2014 · Pseudocontact shift (PCS) is an effective additional contribution to the nuclear chemical shift that arises in open-shell chemical systems due to partial polarization of the electron spin by the applied magnetic field.1 The primary application of PCS is in structural biology, where it provides additional distance restraints for molecular geometry … WebJan 10, 2024 · One of these effects is the pseudocontact shift (PCS), which leads to strong chemical shift perturbations of nuclear spins, with a remarkably long range of 50 Å and beyond. The PCS in solution NMR is an effect originating from the anisotropic part of the dipole-dipole interaction between the magnetic momentum of unpaired electrons and …

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Protein Structure Determination from Pseudocontact Shifts Using …

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Unravelling the Complexities of Pseudocontact Shift Analysis in ...

Category:A partial differential equation for pseudocontact shift - Physical ...

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Pseudocontact shift

A dysprosium single molecule magnet outperforming current pseudocontact …

WebAdditionally, applications of lanthanide chelating tags for pseudocontact shifts and residual dipolar couplings that have been reported for proteins, protein-protein and protein-ligand … http://www.spindynamics.org/wiki/index.php?title=Pseudocontact_shift_analysis

Pseudocontact shift

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The difference between the chemical shift of a given nucleus in a diamagnetic vs. a paramagnetic environment is called the hyperfine shift. In solution the isotropic hyperfine chemical shift for nickelocene is −255 ppm, which is the difference between the observed shift (ca. −260 ppm) and the shift observed for a diamagnetic analogue ferrocene (ca. 5 ppm). The hyperfine shift contains con… WebOct 1, 2024 · Pseudocontact shifts. The dipolar, through-space effect on the shifts of signals in NMR due to the introduction of a paramagnetic centre is termed pseudocontact shift [99]. The shift perturbation arises from a contribution of the unpaired electrons of the paramagnetic centre to the effective magnetic field that a specific nucleus experiences.

WebApr 1, 1996 · Because pseudocontact shifts can be observed for protons as much as 20 Å from the paramagnetic centre, this approach allows study of electron transfer proteins in … WebApr 26, 2024 · A common criterion for designing performant single molecule magnets and pseudocontact shift tags is a large magnetic anisotropy. In this article we present a …

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WebNov 15, 1996 · The fact that pseudocontact shifts were observed for protons which were not broadened may be attributable to the weaker distance dependence of the pseudocontact shift effect compared to paramagnetic relaxation.

WebOne of these effects is the pseudocontact shift (PCS), which leads to strong chemical shift perturbations of nuclear spins, with a remarkably long range of 50 Å and beyond. The PCS … pia delivery shenzhenWebMay 31, 2012 · Oligosaccharides of biological importance often exhibit branched covalent structures and dynamic conformational multiplicities. Here we report the application of a method that we developed, which combined molecular dynamics (MD) simulations and lanthanide-assisted paramagnetic NMR spectroscopy, to evaluate the dynamic … toowoomba revival fellowshipWebIII. Lanthanide chelates for MRI - The unique paramagnetic properties of the lanthanide ions render them useful as magnetic resonance imaging (MRI) contrast agents and paramagnetic relaxation enhancement or pseudo-contact shift (PCS) tags in structural NMR applications. CSC has experience in the generation of lanthanide(III)-chelates and adducts. toowoomba rentals under $300