In the past decade, a number of solid-state nuclear mag-0352 Hz, s yy Å 03220 Hz, s zz Å 3572 Hz for carbons resonating at 50,323,528 Hz (19). Relative to this chemical-netic resonance experiments have been developed to measure heteronuclear dipole-dipole couplings in specifically shift principal-ax
Relative CSA–Dipolar Orientation from REDOR Sidebands
✍ Scribed by Robert D. O'Connor; Jacob Schaefer
- Publisher
- Elsevier Science
- Year
- 2002
- Tongue
- English
- Weight
- 223 KB
- Volume
- 154
- Category
- Article
- ISSN
- 1090-7807
No coin nor oath required. For personal study only.
✦ Synopsis
Algebraic expressions are given for the sideband intensities of REDOR dephasing experiments as a function of the relative orientation of the CSA and dipolar tensors. The expressions are straightforward to derive and implement and can be easily modified for variations in the spin systems, including distributions of distances and multiple dephasers. These expressions, along with the high sensitivity, resolution, and general robust nature of REDOR, make determining CSA-dipolar orientations from REDOR experiments reliable and, compared to full simulations, efficient and routine. Additionally, it is shown that even the +/-1 sidebands of fast-spinning samples may contain significant information about orientation. Finally, numerical integration of the expressions supports the intuitive notion that any difference in the sideband dephasing rates is evidence of preferred CSA-dipolar orientations. This fact can be used to gauge the extent of local molecular order in intermolecular dephasing experiments.
📜 SIMILAR VOLUMES
A simple and robust method for determining the relative orientations of covalently linked protein domains using conjoined rigid body/torsion angle dynamics simulated annealing on the basis of residual dipolar couplings is presented. In this approach each domain is treated as a rigid body and the rel