Favipiravir – Tautomeric and Complexation Properties in Solution

The tautomeric properties of favipiravir, a promising anti-COVID-19 drug, were investigated experimentally for the first time by using molecular spectroscopy (UV–Vis absorption, fluorescence and NMR), as well as DFT quantum–chemical calculations. According to the obtained results, the enol tautomer is substantially more stable in most of the organic solvents. In the presence of water, a […]

Long-Range Proton Transfer in 7-Hydroxy-Quinoline-Based Azomethine Dyes: A Hidden Reason for the Low Efficiency

In the tautomeric Schiff bases, derived from 7-hydroxyquinoline, two competitive channels are possible upon excitation of the enol tautomer, namely proton transfer (PT) through intramolecular hydrogen bonding to the corresponding keto form and trans–cis isomerization around the azomethine double bond. The former leads to switching, based on twist-assisted excited state intramolecular PT, where the long-range […]

Benzothiazol picolin/isonicotinamides molecular switches: Expectations and reality

The ground state tautomerism and excited state intramolecular proton transfer in two new molecular switches, namely N-(benzo[d]thiazol-2-yl)picolinamide and N-(benzo[d]thiazol-2-yl)isonicotinamide, are studied in acetonitrile by the combined use of steady state and time dependent spectroscopy and DFT calculations. Although, according to the theoretical calculations, two potential switching pathways are possible in N-(benzo[d]thiazol-2-yl)picolinamide, either through the pyridine […]

Union of Scientists in Bulgaria Grand Prize for PhD thesis awarded to Dr Silvia Hristova

We are proud to announce that Dr Silvia Hristova, who defended her PhD thesis in our group last year, was awarded by The Union of Scientists in Bulgaria for best PhD thesis in 2020. The thesis of Silvia considers the possibility of using controlled proton transfer as an elementary process in the molecular machinery. The […]

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