| Unlike classical infrared techniques, Raman spectroscopy enables one to detect simultaneously all fundamental vibrations of molecules dissolved in water. Moreover, the differential detection of the optical activity brings additional information about molecular shape. Thus the Raman optical activity (ROA) has been widely applied for studies of almost all flexible, biologically important classes of molecules. However, there are currently serious limitations of the method, with respect to limited instrumental sensitivity as well as difficult interpretation of measured data. In this project we want to address both these issues. This means improvement and fine tuning of our current spectrometer so that it will be suitable for routine measurements of polar compounds in water, especially peptide and proteins. At the same time, quantum chemical computations including realistic solvent models will be modified and applied for spectral simulation and molecular modelling. Thus the experimental data about structure, conformation and the effects of solvation unreachable by other experimental techniques can be analyzed in a systematic manner. |
