Search Results - "Biela, Monika"
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Antioxidant action of deprotonated flavonoids: Thermodynamics of sequential proton-loss electron-transfer
Published in Phytochemistry (Oxford) (01-12-2020)“…Despite the intensive research on radical scavenging action of flavonoids, a systematic study of the thermochemistry for their mono-deprotonated species in…”
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Thermodynamics of demethylation of polymethoxyflavones: Implications for antioxidant and photoprotective activity
Published in Journal of molecular structure (05-05-2024)“…•Thermodynamics of methoxy groups demethylation for polymethoxyflavones is studied.•O–CH3 bond dissociation enthalpies of methoxy groups lie in 70 kJ mol–1…”
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Phenolic acids and their carboxylate anions: Thermodynamics of primary antioxidant action
Published in Phytochemistry (Oxford) (01-08-2022)“…Phenolic acids represent naturally occurring antioxidants and play important role in free radicals scavenging. In this work, we have studied thermodynamics of…”
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Guaiacol oxidation: theoretical insight into thermochemistry of radical processes involving methoxy group demethylation
Published in Free radical research (02-12-2022)“…Guaiacol (2-methoxyphenol) is naturally occurring phenolic compound essential in various research areas. Oxidative transformation of guaiacol can lead to the…”
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Thermodynamics of radical scavenging effect of deprotonated isoflavones in aqueous solution
Published in Journal of molecular liquids (01-01-2022)“…[Display omitted] •Antioxidant action of isoflavone anions is studied in aqueous solution.•Reaction enthalpies of sequential proton-loss electron-transfer are…”
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Investigation of substituent effect on O–C bond dissociation enthalpy of methoxy group in meta- and para-substituted anisoles
Published in Journal of molecular graphics & modelling (01-07-2023)“…This paper is focused on the theoretical investigation of O–C Bond Dissociation Enthalpy (BDE) of methoxy OCH3 group in 15 meta- and 15 para-substituted…”
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Chelates of 3- and 5-hydroxyflavone: Quantum chemical study
Published in Chemical physics letters (01-01-2021)“…[Display omitted] •Aromaticity changes upon metal ions chelation are analyzed.•Binding energies for selected metal complexes are investigated.•Vertical…”
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Cu(II) complexes of flavonoids in solution: Impact of the Cu(II) ion on the antioxidant and DNA-intercalating properties
Published in Journal of molecular liquids (01-08-2022)“…[Display omitted] •Complexes of Cu(II) with flavonoids are studied in two solvents: DMSO and methanol.•Formation of complexes is monitored by UV-Vis…”
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Degradation Mechanisms of 4,7-Dihydroxycoumarin Derivatives in Advanced Oxidation Processes: Experimental and Kinetic DFT Study
Published in International journal of environmental research and public health (22-01-2023)“…Coumarins represent a broad class of compounds with pronounced pharmacological properties and therapeutic potential. The pursuit of the commercialization of…”
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