| 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. |
