Structural Studies of Isoquinoline Alkaloids
This project is focused on the structural studies of benzo[c]phenanthridine, protoberberine, and other
isoquinoline plant alkaloids found in families Papaveraceae, Berberidaceae,
Fumariaceae, and Rutaceae.
The spectra obtained using advanced two-dimensional NMR techniques are
used to extract structural parameters from chemical shifts, spin-spin scalar
coupling constants and coherence transfer pathways of 1H,
13C and 15N nuclei. The experimental data together with
quantum-chemical calculations (DFT calculations of chemical shielding and scalar
spin-spin couplings) are employed to determine the molecular structure with high
accuracy and the results are correlated with the geometry determined by x-ray diffraction.
Interactions of isoquinoline alkaloids with basic building
blocks of biomacromolecules and intermolecular interactions in the solid state
are current hot topics.