th  - 1988 - 51st ENC Conference

88 I SOLID STATE ll3cd I~CLEAR }~GENETIC RESONANCE STUDY OF
EXCHAI~GED ~.IOI~-~.IORII/X)NITES: Shelton Bank *a , Janet F. Bank a and
Paul D. Ellis b Departments of Chemistry, aSUNY at Albany, Albany,
New York 12222 and bthe University of South Carolina, Columbia,
South Carolina 2920g
The solid state ll3cd nuclear magnetic resonance spectra of
cadmium adsorbed on montmorillonite clays were investigated. ~o
cadmium oxoanion compents of different linewidths with different
sensitivities to preparation conditions are identified. Echo train
experiments at various temperatures indicate that the linewidths
are governed by homogenous contributions rather than chemical shift
dispersion. These results on cadmium environments are considered
in relationship to models derived from adsorption studies of cadmium
and other metals on clays and related materials.
89
13C NMR ASSIGNMENTS OF DNA OLIGONUCLEOTIDES AND THE DRUG NETROPSIN
Eilis Boudreau, Tim Hyman, Steven LaPlante, Gilles Martin, Graham
Jackson and Philip Borer. NIH Resource for NMR and Data Anaysis,
Syracuse University, Syracuse, NY 13244-1200.
13C nmr resonance assignments of DNA oligonucleotides have
proceeded in two directions. The two-dimensional method is
presented in a seperate poster by D. Cowburn and J. Ashcroft. The
one-dimensional method uses spectral comparisons of chemical shift
and chemical shift versus temperature:trends. We have applied a
statistical analysis method, Bayes Maximum Likelihood, to the
assignment of C-nmr spectra of the bases of oligonucleotides.
We achieved 100% discrimination with the parameters chemical
shift, temperature, a sequence factor representing the neighboring
bases and the difference from the C5 carbon of the base. The
technique produced 97% accuracy when used to characterize a
spectrum previously assigned by the visual method.
Netropsin is an anti-tumor,l~nti-cancer drug in which there is
considerable interest. The C nmr resonances of the I d~g
Netropsin have been assigned using the two-dimensional "H---C
chemical shift correlated and the Attached Proton Test
experiments.
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