EPR on aqueous Gd3+ complexes and a new analysis method considering both line widths and shifts
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New exptl. methods are presented that allow one to measure cross-correlation between the fluctuations of dipolar interactions and chem. shift anisotropy (CSA) in scalar coupled systems with two and three spins I = 1/2 in isotropic soln. The methods involve ...
A method is described to det. long-range cross-correlations between the modulations of an anisotropic chem. shift (e.g., of a C' carbonyl carbon in a protein) and the fluctuations of a weak long-range dipolar interaction (e.g., in cross-correlation between ...
The mobility of 15N labeled proteins can be characterized by measuring the cross-correlation rates dN,NI that govern the conversion of Zeeman order Nz of an amide 15N nucleus into longitudinal two-spin order 2NzIz involving the amide 15N and 1H nuclei. Thi ...
In systems with dipolar relaxation in isotropic phase, it is possible to measure the extent of cross correlation of the fluctuations of two selected dipole-dipole interactions A-M and A-X by selectively exciting and spin-locking the transverse magnetizatio ...
Multiple experiments (17O NMR, 1H NMR, and EPR) have been performed in the past to understand the microscopic parameters that control the magnetic relaxation rate enhancement induced by paramagnetic molecules on neighboring water protons, the so-called rel ...
The study of electron spin relaxation in aqueous Gd(III) complexes is the source of new insights into the physics and chemistry of magnetic resonance imaging (MRI) contrast agents. The coupling of the seven unpaired electrons of the Gd(III) ion with the su ...
n a previous paper, we reported the first longitudinally detected electron paramagnetic resonance (LODEPR) measurements of fast T1e values in aqueous solutions of two Gd3+ chelates, and we included predicted values for these relaxation times, based on zero ...
Classical molecular dynamics simulations with a force field adapted to the family of Gd3+ polyaminocarboxylate complexes have been successfully applied on two macrocyclic ([Gd(DOTA)(H2O)]- and [Gd(DO3A)(H2O)2]) and two acyclic ([Gd(DTPA)(H2O)]2- and [Gd(EG ...
The time correlation functions of the electronic spin components of a metal ion without orbital degeneracy in solution are computed. The approach is based on the numerical solution of the time-dependent Schrödinger equation for a stochastic perturbing Hami ...
A group spin approach is used to describe the interconversion of magnetization modes in systems of 3 equiv. spins 1/2. The most prominent effect of cross correlation of the fluctuations of chem. shift anisotropy and dipolar interactions is the transformati ...