The contribution of the major metabolite 4′-O-methylmonoHER to the antioxidant activity of the flavonoid monoHER

Lemmens, Kristien J.A.; Herst, Pauline M.; Housmans, B.A.; Moalin, Mohamed; Vijgh, W.J.F. van der; Bast, Aalt; Haenen, Guido R.M.M.

doi:10.1016/j.cbi.2015.07.004

Cited by 7 publications

(3 citation statements)

References 23 publications

(28 reference statements)

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“…4). These results were consistent with the general findings that several in vivo metabolites of flavonoids, especially flavonoid glycosides may equally contribute their antioxidant activities (Arora et al, 1998;Miyake et al, 2000;Lemmens et al, 2015). However, the exact mechanisms of the in vivo antioxidant activity of TFCB are still unclear.…”

Section: Effects Of Tfcb On Pcosupporting

confidence: 91%

Optimization of Cellulase-Assisted Extraction of Total Flavonoids from Corn Bract and Evaluation of Antioxidant and Antibacterial Aactivities

Yang¹,

Lü²,

Ben³

et al. 2019

American Journal of Biochemistry and Biotechnology

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Corn bract is a corn-based agricultural waste material that distributed worldwide. In present work, response surface methodology was applied to optimize the cellulase-assisted extraction of Total Flavonoids from Corn Bract (TFCB), the in vitro antioxidant and antibacterial as well as the in vivo antioxidant activities of TFCB were investigated. Results showed that the optimal conditions for TFCB extraction were as follows: Amount of cellulase, 0.4% (w/w); incubation time, 2 h; liquid-to-solid ratio, 35: 1 mL/g; ethanol concentration, 71% (v/v); TFCB yield was 1.284±0.01%, which was 25.39% higher than that of heat reflux extraction. In addition, when compared with vitamin C, TFCB showed weaker in vitro free radical-scavenging capacities, but stronger antioxidant activities in mice. Moreover, TFCB also exerted certain inhibitory effects against Gram-positive bacteria. This study will provide an evidence for the potential of comprehensive utilization of discarded corn bract.

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Section: Effects Of Tfcb On Pcosupporting

confidence: 91%

Optimization of Cellulase-Assisted Extraction of Total Flavonoids from Corn Bract and Evaluation of Antioxidant and Antibacterial Aactivities

Yang¹,

Lü²,

Ben³

et al. 2019

American Journal of Biochemistry and Biotechnology

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show abstract

“…[33] to calculate the density function theory (DFT) The 6-311++ G basis set was utilized for this project. The possibility for electrostatic attraction [34][35][36][37]. Among the physical characteristics that were identified are the optimal equilibrium total energy, dipole moment, partial nuclear charge, and molecular energy orbitals.…”

Section: Computation Methodsmentioning

confidence: 99%

Quantum Mechanical Calculations and Electrochemical Study of Vibrational Frequencies, Energies in Some Flavonoids molecules

Razooqi

AL-Ani²

2022

eijs

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Quantum mechanical computations is conducted using DFT (Density Functional Theory) and PM3 (Parameterized Model 3), also, using DFT of (B3LYP) with a 6-311++G (d, p) with G09 application. These molecular three components include structure, electronic charge density and energetic characteristics of chosen phytomedicine compounds. The impact of functional groups on physical characteristics were studied using myricetin, linebacker, and flavone because of their chemical structures. For phytomedicine compounds, we utilized quantum mechanical simulations to estimate bond length, energy, vibration(vib.) modes, charge density and mechanical properties (cruelty, strength, stiffness, for the measurements of the lengths and energy of the bonds). Herzberg convention is used to look for the connections between the frequencies of similar modes which was used. IR absorption of the highest vibration frequencies modes of 3N-6 was measured and assigned for all species. Physical parameters were also calculated these include: heat of production, amount of energy, atomic electronic charge density, dipole moment and (E gap) (E = ELUMO-EHOMO). For three phytomedicine molecules, quantum chemical properties were combined. This software also computed and evaluated the electronic charge density distribution on atoms of 3 molecules. The equilibrium geometries of all three molecules were studied.

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“…One of the reasons for this is that in addressing their antioxidant activity, all flavonoids are generally put under the same umbrella. Nevertheless, it is known that a minor change in the molecular structure of a flavonoid can drastically change its antioxidant activity [ 7 ], indicating that the molecular mechanism of each flavonoid is unique. A “universal” mechanism for all flavonoids does not exist.…”

Section: Introductionmentioning

confidence: 99%

The Flow of the Redox Energy in Quercetin during Its Antioxidant Activity in Water

Moalin

Zhang

et al. 2020

IJMS

Self Cite

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Most studies on the antioxidant activity of flavonoids like Quercetin (Q) do not consider that it comprises a series of sequential reactions. Therefore, the present study examines how the redox energy flows through the molecule during Q’s antioxidant activity, by combining experimental data with quantum calculations. It appears that several main pathways are possible. Pivotal are subsequently: deprotonation of the 7-OH group; intramolecular hydrogen transfer from the 3-OH group to the 4-Oxygen atom; electron transfer leading to two conformers of the Q radical; deprotonation of the OH groups in the B-ring, leading to three different deprotonated Q radicals; and finally electron transfer of each deprotonated Q radical to form the corresponding quercetin quinones. The quinone in which the carbonyl groups are the most separated has the lowest energy content, and is the most abundant quinone. The pathways are also intertwined. The calculations show that Q can pick up redox energy at various sites of the molecule which explains Q’s ability to scavenge all sorts of reactive oxidizing species. In the described pathways, Q picked up, e.g., two hydroxyl radicals, which can be processed and softened by forming quercetin quinone.

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The contribution of the major metabolite 4′-O-methylmonoHER to the antioxidant activity of the flavonoid monoHER

Cited by 7 publications

References 23 publications

Optimization of Cellulase-Assisted Extraction of Total Flavonoids from Corn Bract and Evaluation of Antioxidant and Antibacterial Aactivities

Optimization of Cellulase-Assisted Extraction of Total Flavonoids from Corn Bract and Evaluation of Antioxidant and Antibacterial Aactivities

Quantum Mechanical Calculations and Electrochemical Study of Vibrational Frequencies, Energies in Some Flavonoids molecules

The Flow of the Redox Energy in Quercetin during Its Antioxidant Activity in Water

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