Quantum chemical evaluation of complex formation of Co (II) ions with quercetin molecule
Keywords:
quercetin, chelate complex, quantum-chemical calculations, DFT, Ab initio, stability constant, dipole moment
Abstract
The reactions for the formation of 3- and 5-hydroxyflavanoid chelates from the cations quercetin (C15H10O7) and Co (II) were evaluated by quantum chemical methods. Also, physical parameters such as the stability constant of chelates, the distribution of charge density in the molecule, the activation energy were calculated using the functional theory of density DFT (density functional theory).
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Ahmad S. N., Bahron H., Tajuddin A. M. Tetradentate palladium (II) salophen complexes: synthesis, characterization and catalytic activities in copper-free Sonogashira coupling reaction //International Journal of Engineering & Technology. – 2018. – V. 7. – №. 3.11. – P. 15-19.
Nair M. S., Arish D., Johnson J. Synthesis, characterization and biological studies on some metal complexes with Schiff base ligand containing pyrazolone moiety //Journal of Saudi Chemical Society. – 2016. – V. 20. – P. S591-S598.
Sirajuddin M., Ali S., Badshah A. Drug–DNA interactions and their study by UV–Visible, fluorescence spectroscopies and cyclic voltametry //Journal of Photochemistry and Photobiology B: Biology. – 2013. – V. 124.– P. 1-19.
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Durgo K., Halec I., Sola I., Franekic J. Cytotoxic and genotoxic effects of the quercetin/lanthanum complex on human cervical carcinoma cells in vitro //Arhiv za higijenu rada i toksikologiju. – 2011. – V. 62. – №. 3. – P. 221.
Liu Y, He X, Zuo H, Zhang Q, Li Z, Shi L. Advance of studies on bioactivity of flavonoid-metal complexes //Zhongguo Zhong yao za zhi= Zhongguo Zhongyao Zazhi= China Journal of Chinese Materia Medica. – 2012. – V. 37. – №. 13. – P. 1901-1904.
Zepp R. G., Faust B. C., Hoigne J. Hydroxyl radical formation in aqueous reactions (pH 3-8) of iron (II) with hydrogen peroxide: the photo-Fenton reaction //Environmental science & technology. – 1992. – V. 26. – №. 2. – P. 313-319.
Zhang C., Korshin G. V., Kuznetsov A. M., Yan M. Experimental and quantum-chemical study of differential absorbance spectra of environmentally relevant species: A study of quercetin deprotonation and its interactions with copper (II) ions //Science of The Total Environment. – 2019. – V. 679. – P. 229-236.
Wright J. S., Johnson E. R., DiLabio G. A. Predicting the activity of phenolic antioxidants: theoretical method, analysis of substituent effects, and application to major families of antioxidants //Journal of the American Chemical Society. – 2001. – V. 123. – №. 6. – P. 1173-1183.
Ismatov D.M., Arzimurodova H., Mukhamadiyev A.N., Mukhamadiyev N.Q., Uzokov J.R. Quantum chemical evaluation of a complex compound of quercetin flavonoid with Fe (II) ions // Scientific Bulletin. Natural Science Series (Chemistry, Biology, Geography). - 2022. - V. 131. - N 1. - P. 46-49.
Yan M., Wang D., Korshin G. V., Benedetti M. F. Quantifying metal ions binding onto dissolved organic matter using log-transformed absorbance spectra //Water research. – 2013. – V. 47. – №. 7. – P. 2603-2611.
Yan M., Korshin G. V. Comparative examination of effects of binding of different metals on chromophores of dissolved organic matter //Environmental science & technology. – 2014. – V. 48. – №. 6. – P. 3177-3185.
Wang Y. S., Shan X. Q., Feng M. H., Chen G. C., Pei Z. G., Wen B., ... Owens G. Effects of copper, lead, and cadmium on the sorption of 2, 4, 6-trichlorophenol onto and desorption from wheat ash and two commercial humic acids //Environmental science & technology. – 2009. – V. 43. – №. 15. – P. 5726-5731.
Primikyri A., Mazzone G., Lekka C., Tzakos A. G., Russo N., Gerothanassis I. P. Understanding zinc (II) chelation with quercetin and luteolin: a combined NMR and theoretical study //The Journal of Physical Chemistry B. – 2015. – V. 119. – №. 1. – P. 83-95.
Hille A., Ott I., Kitanovic A., Kitanovic I., Alborzinia H., Lederer E., ... Gust R. [N, N′-Bis (salicylidene)-1, 2-phenylenediamine] metal complexes with cell death promoting properties //JBIC Journal of Biological Inorganic Chemistry. – 2009. – V. 14. – №. 5. – P. 711-725.
Published
2022-05-28
How to Cite
Arzimurodova X., Ismatov D.M., Uzokov J.R., Mukhamadiyev A.N., Mukhamadiev N.Q., & Fattoyeva N.H. (2022). Quantum chemical evaluation of complex formation of Co (II) ions with quercetin molecule. Central Asian Journal of Medical and Natural Science, 3(3), 338-344. https://doi.org/10.17605/cajmns.v3i3.791
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