Publications by authors named "A Deriabina"

Article Synopsis
  • Understanding the stacking interactions of aromatic molecules like caffeine is crucial for studying biopolymers' structure, stability, and functions.
  • The research identifies five types of caffeine stacking dimers through analysis of caffeine crystal structures and utilizes molecular mechanics and advanced theoretical methods for geometry optimization.
  • The best methods for accurately depicting caffeine dimer characteristics include MP2 with Basis Set Superposition Error correction, Poltev force field, and specific DFT functionals that align well with experimental sublimation enthalpy data.
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Fisetin and Luteolin are important flavonoids produced in plants and known for their antioxidant, anti-inflammatory, neuroprotective, and analgesic properties. They are also good candidates for different types of biosensors. The model used to describe the fluorescence (FL) emission of these flavonoids involves an excited-state intermolecular proton transfer (ESIPT) process that causes a change in the molecule configuration and a corresponding decrease in the emission energy.

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Myricetin is a flavonol with high antioxidant properties. In this research, the fluorescence emission of myricetin powder and its solutions in different solvents were measured and analyzed by comparing with the results of calculations. Comparison of the calculated and measured characteristic wavelengths allowed the identification of all the spectral features in the fluorescence spectra of myricetin powder and solutions with different concentrations.

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Kaempferol (KMP) is one of the most common flavonoids, currently being extensively studied for its numerous beneficial health effects. Here we study the fluorescence (FL) emission of KMP powder and of its solutions prepared using different types of solvents (polar and non-polar). In the spectra of KMP powder and KMP solutions with high concentration, the same FL peak with maximum at 1.

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Morin () is one of the most widely distributed flavonoids with several beneficial effects on human health, and has the potential of being used as a possible treatment for COVID-19. To achieve a better understanding of the process of dissolution, the fluorescent (FL) emission from solutions prepared with different polar and nonpolar solvents (methanol, DMSO, and chloroform) was measured and compared with the FL emission from powder and crystals. In the FL spectra of the solutions with high concentration, as well as in the spectra of in solid state, two features, at 615 nm and 670 nm, were observed.

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