Penentuan Aktivitas Antioksidan Mirisetin, Quersetin Dan Kaempferol Berdasarkan Metode Semiempiris Austin Model (AM 1)
Keywords:
Mirisetin, Quersetin, Kaempferol, Semiempiris AM1, Antioksidan
Abstract
Research has been conducted on the determination of antioxidant activity using the parameters of Bond Dissociation Enthalpy (BDE), Single Electron Transfer-Proton Transfer (SET-PT), Proton Affinity (PA), and Electron Transfer Enthalpy (ETE) of myricetin, quercetin, and kaempferol compounds. Furthermore, through the geometric stages using the AM1 semi-empirical method. The results obtained showed that myricetin compounds have better antioxidant activity compared to quercetin and kaempferol compounds by considering the results of high BDE values, low SET-PT, high PA, and low ETE.
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References
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[9] Q. V. Vo, P. C. Nam, M. Van Bay, N. M. Thong, N. D. Cuong, and A. Mechler, “Density functional theory study of the role of benzylic hydrogen atoms in the antioxidant properties of lignans,” Sci. Rep., vol. 8, no. 1, pp. 1–10, 2018, doi: 10.1038/s41598-018-30860-5.
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[11] M. Van Bay et al., “Theoretical Study on the Antioxidant Activity of Natural Depsidones,” ACS Omega, vol. 5, no. 14, pp. 7895–7902, 2020, doi: 10.1021/acsomega.9b04179.
[12] M. Rials and M. E. T. H. Ods, “F la v o n o id ( My ric e tin , Qu e rc e tin , Ka e m p fe ro l , Lu te o lin , a n d Ap ig e n in ) Co n te n t o f Ed ible Tro p ic a l P la n ts.”
[13] M. Olszowy-Tomczyk and D. Wianowska, “Antioxidant Properties of Selected Flavonoids in Binary Mixtures—Considerations on Myricetin, Kaempferol and Quercetin,” Int. J. Mol. Sci., vol. 24, no. 12, 2023, doi: 10.3390/ijms241210070.
[14] R. Li, T. Du, J. Liu, A. J. A. Aquino, and J. Zhang, “Theoretical Study of O-CH3Bond Dissociation Enthalpy in Anisole Systems,” ACS Omega, vol. 6, no. 34, pp. 21952–21959, 2021, doi: 10.1021/acsomega.1c02310.
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[16] A. H. Bakheit et al., “Theoretical study of the antioxidant mechanism and structure-activity relationships of 1,3,4-oxadiazol-2-ylthieno[2,3-d]pyrimidin-4-amine derivatives: a computational approach,” Front. Chem., vol. 12, no. July, pp. 1–16, 2024, doi: 10.3389/fchem.2024.1443718.
[17] Y. Wang, C. Li, Z. Li, M. Moalin, G. J. M. de. Hartog, and M. Zhang, “Computational Chemistry Strategies to Investigate the Antioxidant Activity of Flavonoids—An Overview,” Molecules, vol. 29, no. 11, 2024, doi: 10.3390/molecules29112627.
Published
2025-06-04
How to Cite
Azuxetullatif, A. (2025). Penentuan Aktivitas Antioksidan Mirisetin, Quersetin Dan Kaempferol Berdasarkan Metode Semiempiris Austin Model (AM 1). Jurnal Penelitian Dan Pengkajian Ilmiah Eksakta, 4(1), 105-109. https://doi.org/10.47233/jppie.v4i1.1977
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