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A combined computational chemistry and mass spectrometry approach for improved detection of endogenous metabolites in living organisms
The project is aimed at the development of novel tools for structural elucidation of bioactive metabolites in biological samples, in order to improve understanding of experimental results from mass spectrometry measurements of biological metabolites by tools of computational chemistry. Specifically, the study has two main objectives:
- Structural characterization of vitamin D metabolites and structural epimers in chronic liver disease.
- Determination of new variants of toxic microcystin secondary metabolites from cyanobacteria.
Expected results of this project are a new techniques developed for structural elucidation and confirmation of unknown, bioactive molecules.više »