Abstract
In so-called “transferred NOE” studies, one seeks to determine the conformation of a small molecule (drug, substrate, coenzyme, inhibitor, etc.) which is bound to a larger molecule. If the exchange between bound and free forms is sufficiently rapid, and if the free form is in excess, the spectrum features narrow lines typical of small molecules, while Overhauser effects between spins belonging to the small molecule are predominantly determined by the conformation in the bound form, where the cross-relaxation rates are far larger than those of the free form. Thus we can have the best of both worlds: narrow lines characteristic of small molecules, and rapid cross-relaxation typical of large molecules. This explains the popularity of exchange-transferred NOE studies in enzymology, drug design, and many areas of supramolecular chemistry. Problems may occur however if spin diffusion processes are not properly taken into account [1].
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Deschamps, M., Bodenhausen, G. (1999). Quenching Spin Diffusion in Transferred Overhauser Studies and Detection of Octupolar order in Gaseous Xenon-131. In: Pons, M. (eds) NMR in Supramolecular Chemistry. NATO ASI Series, vol 526. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-4615-9_7
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