ISSN:
0749-1581
Keywords:
NOESY quantitation
;
Short repetition times
;
Incomplete recovery
;
Small molecule cross-relaxation rates
;
Conformational analysis
;
Secondary NOEs
;
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The pure absorption 2D NOE experiment can provide small molecule cross-relaxation rate data suitable for quantitative conformational analysis even when the data are collected in a time-saving manner using preparatory delays (PD) far short of the recommended values of 3-5 times T1. In our experience, the relative NOE intensities and cross-relaxation rates are most readily extracted from cross-relaxation spectra which are sums of adjacent rows (or columns) of the 2D data matrix. Intensity anomalies associated with t1 streaks can be removed by plotting cross-relaxation difference spectra. PD truncation produces significant deviations from diagonal symmetry which must be accounted for in the data analysis. The influence of PD truncation on apparent auto-peak decay rates and cross-/auto-peak intensity ratios is examined in both real and simulated spectra in order to develop appropriate quantitation strategies. These strategies, when applied to NOESY data for aqueous prostaglandin (PG) F2 α and a PG analog in organic media, yield cross-relaxation rates that are within experimental error of those calculated from structural models or determined by more time-consuming 1D NOE methods.
Additional Material:
8 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/mrc.1260270603
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