Quantitative measurement of longitudinal and transverse cross-relaxation rates: an application to the analysis of the internal dynamics of ranalexin in water and trifluoroethanol.
We describe a quantitative processing method which gives access to the longitudinal and transverse cross-relaxation rates from off-resonance ROESY intensities. This method takes advantage of the dependence of the off-resonance ROESY experiments at any mixing time and any spin-lock angle &theta; on two relaxation matrices, the longitudinal and the transverse ones. This allows one to take into account multistep magnetization transfers even if the measurements are performed only at one or two mixing times. The ratio of the longitudinal to transverse cross-relaxation rates can then be used as a local indicator of the internal dynamics, without assuming a structure or a model of motion. After validation of this processing method by numerical simulations, it is applied to the analysis of the dynamics of the peptide ranalexin dissolved in pure water and in water/TFE.
Malliavin
T E
TE
INSERM U 414, CNRS UMR C9955, Faculté de Pharmacie, Université de Montpellier I, 15, av. Ch. Flahault, Montpellier Cedex 2, F-34060, France.
Desvaux
H
H
Aumelas
A
A
Chavanieu
A
A
Delsuc
M A
MA
D000890:Anti-Infective Agents / Q000737:chemistry*; D003198:Computer Simulation; D004058:Diffusion; D005583:Fourier Analysis; D009010:Monte Carlo Method; D019906:Nuclear Magnetic Resonance, Biomolecular; D010456:Peptides, Cyclic / Q000737:chemistry*; D012044:Regression Analysis; D012815:Signal Processing, Computer-Assisted; D014270:Trifluoroethanol; D014867:Water
D000890:Anti-Infective Agents; D010456:Peptides, Cyclic; D014867:Water; C086618:ranalexin; D014270:Trifluoroethanol