Evaluation of Distances from ROESY Experiments with the Intensity-Ratio Method

✍ Scribed by E. Ämmälahti; M. Bardet; D. Molko; J. Cadet

• Publisher: Elsevier Science
• Year: 1996
• Tongue: English
• Weight: 76 KB
• Volume: 122
• Category: Article
• ISSN: 1064-1858
• DOI: 10.1006/jmra.1996.0199

✦ Synopsis

In the present work emphasis was placed on the treatment and diagonal peaks, noted a ij and a ii , respectively, using the equation of data collected in a ROESY spectrum for interproton-distance measurement. For this purpose, we use the intensityratio method in which correction factors due to the spin-

, [2] lock pulse offset were included.

Nuclear magnetic resonance has been widely used for structural analysis of molecules. Cross-peak intensities in nuclear Overhauser enhancement spectra (1), coupling conwhere q Å 0.1g 4 h 2 (m 0 /4p) 2 , t mix is the mixing time, and t c stants, and chemical shifts depend on the conformation of a is the correlation time. Assuming a molecule with isotropic compound. Therefore, the latter experimentally obtainable tumbling, Eq. [2] can be rewritten with a constant term data are generally used for structure determination of molecules. For the quantitative analysis of 2D NOE experiments, a variety of procedures have been suggested. These apc Å ͭ 02qt mixͩ 6t c 1 / 4v 2 t 2 c 0 t cͪ ͮ