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

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

Archives of Industrial Hygiene and Toxicology
Volume 75 (2024): Issue 1 (March 2024)
By: Ante Miličević  
Open Access
|Mar 2024

Figures & Tables

Figure 1

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

Figure 2

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)
DOI: https://doi.org/10.2478/aiht-2024-75-3823 | Journal eISSN: 1848-6312 | Journal ISSN: 0004-1254
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Language: English, Croatian, Slovenian
Page range: 85 - 86
Published on: Mar 29, 2024
Published by: Institute for Medical Research and Occupational Health
In partnership with: Paradigm Publishing Services
Publication frequency: 4 issues per year
Related subjects:
Medicine,
Basic medical science,
Basic medical science, other

© 2024 Ante Miličević, published by Institute for Medical Research and Occupational Health
This work is licensed under the Creative Commons Attribution 4.0 License.

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