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A follow-up on the hesperetin issue in modelling the first electrochemical oxidation potential and antioxidant activity of flavonoids

Ante Miličević

Miličević, Ante

29. März 2024

A follow-up on the hesperetin issue in modelling the first electrochemical oxidation potential and antioxidant activity of flavonoids's Cover Image

Archives of Industrial Hygiene and Toxicology

Band 75 (2024): Heft 1 (März 2024)

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Artikel-Kategorie: Letter to the Editor

Online veröffentlicht: 29. März 2024

Seitenbereich: 85 - 86

DOI: https://doi.org/10.2478/aiht-2024-75-3823

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© 2024 Ante Miličević, published by Sciendo

This work is licensed under the Creative Commons Attribution 4.0 International License.

The dependence of experimental Ep1 (pH = 7) on

∑s(C)AOSPRad
\sum\limits_{{\rm{s}}({\rm{C}})} {{\rm{AOSP}}_{{\rm{Rad}}} }

, calculated using the PM6 method, for 14 flavonoids from (1). Empty circle represents

∑s(C)AOSPRad
\sum\limits_{{\rm{s}}({\rm{C}})} {{\rm{AOSP}}_{{\rm{Rad}}} }

of hesperetin calculated using methoxy group planar with the B ring plane [as in (1)]. When the methoxy group was set orthogonally to the B ring plane (filled circle), the

∑s(C)AOSPRad
\sum\limits_{{\rm{s}}({\rm{C}})} {{\rm{AOSP}}_{{\rm{Rad}}} }

of hesperetin fit the regression model, yielding R2=0.930, SE=0.053, and SEcv=0.069 — The dependence of experimental Ep1 (pH = 7) on ∑s(C)AOSPRad \sum\limits_{{\rm{s}}({\rm{C}})} {{\rm{AOSP}}_{{\rm{Rad}}} } , calculated using the PM6 method, for 14 flavonoids from (1). Empty circle represents ∑s(C)AOSPRad \sum\limits_{{\rm{s}}({\rm{C}})} {{\rm{AOSP}}_{{\rm{Rad}}} } of hesperetin calculated using methoxy group planar with the B ring plane [as in (1)]. When the methoxy group was set orthogonally to the B ring plane (filled circle), the ∑s(C)AOSPRad \sum\limits_{{\rm{s}}({\rm{C}})} {{\rm{AOSP}}_{{\rm{Rad}}} } of hesperetin fit the regression model, yielding R2=0.930, SE=0.053, and SEcv=0.069

The dependence of experimental relative AA mean on

∑s(C)AOSPRad
\sum\limits_{{\rm{s}}({\rm{C}})} {{\rm{AOSP}}_{{\rm{Rad}}} }

, calculated using the PM6 method for the set of 14 flavonoids from (1). Empty circle represents

∑s(C)AOSPRad
\sum\limits_{{\rm{s}}({\rm{C}})} {{\rm{AOSP}}_{{\rm{Rad}}} }

of hesperetin calculated using methoxy group planar with the B ring plane [as in (1)]. When the methoxy group was set orthogonally to the B ring plane (filled circle), the

∑s(C)AOSPRad
\sum\limits_{{\rm{s}}({\rm{C}})} {{\rm{AOSP}}_{{\rm{Rad}}} }

of hesperetin fit the regression model well, yielding R2=0.942, SE=0.059, and SEcv=0.073 (after exclusion of quercetin) — The dependence of experimental relative AA mean on ∑s(C)AOSPRad \sum\limits_{{\rm{s}}({\rm{C}})} {{\rm{AOSP}}_{{\rm{Rad}}} } , calculated using the PM6 method for the set of 14 flavonoids from (1). Empty circle represents ∑s(C)AOSPRad \sum\limits_{{\rm{s}}({\rm{C}})} {{\rm{AOSP}}_{{\rm{Rad}}} } of hesperetin calculated using methoxy group planar with the B ring plane [as in (1)]. When the methoxy group was set orthogonally to the B ring plane (filled circle), the ∑s(C)AOSPRad \sum\limits_{{\rm{s}}({\rm{C}})} {{\rm{AOSP}}_{{\rm{Rad}}} } of hesperetin fit the regression model well, yielding R2=0.942, SE=0.059, and SEcv=0.073 (after exclusion of quercetin)

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