Abstract
The spectroscopy of vibrational optical activity provides unique information about molecular structure, but its measurement and interpretation for crystals, precipitates and living cells is difficult. We aim to develop experimental and computational methodologies applicable to studies of aggregated proteins and crystals relevant to selected biological and medical applications. On a set of solid state compounds relevant to the needs of the pharmacological industry we will develop vibrational circular dichroism experiment to discriminate between various crystalline forms. For model protein fibrils we will elaborate Raman optical activity procedures to understand the peptide folding and precipitation. Finally, theoretical models and computational protocols will be found for the link between the spectra and the structure. The project combines unique knowledge of crystallographic and spectroscopic laboratories, includes other collaborations, the results will be applicable in analytical chemistry, biology and drug development.