Hyperdimensional NMR Spectroscopy

J. Am. Chem. Soc., 128 (18), 6020 -6021, 2006

riks Kupe and Ray Freeman

Varian Ltd., 6 Mead Road, Yarnton, Oxford, U.K., and Jesus College, Cambridge University, Cambridge, U.K.

Abstract:

Hyperdimensional NMR describes the multiple interactions between a large number, N, of coupled nuclear spins. We show how to construct a hypothetical N-dimensional spectrum from a limited set of low-dimensional measurements, exploiting the concept of projection-reconstruction. In the process, many correlation spectra are obtained that were not investigated directly. As an illustration, the hypothetical ten-dimensional spectrum of a small protein (agitoxin) has been reconstructed, and a large number of pairwise correlation spectra have been recorded