A follow-up on the hesperetin issue in modelling the first electrochemical oxidation potential and antioxidant activity of flavonoids
| 29 mars 2024
À propos de cet article
Article Category: Letter to the Editor
Publié en ligne: 29 mars 2024
Pages: 85 - 86
DOI: https://doi.org/10.2478/aiht-2024-75-3823
© 2024 Ante Miličević, published by Sciendo
This work is licensed under the Creative Commons Attribution 4.0 International License.
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](https://sciendo-parsed.s3.eu-central-1.amazonaws.com/660590071ae47050093cd9ef/j_aiht-2024-75-3823_fig_001.jpg?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Date=20240722T163839Z&X-Amz-SignedHeaders=host&X-Amz-Expires=18000&X-Amz-Credential=AKIA6AP2G7AKP25APDM2%2F20240722%2Feu-central-1%2Fs3%2Faws4_request&X-Amz-Signature=8efe8a4701be0ddf1c3de8528c7cc6e1641490ac1ebaddb8a6617bf00507590d)
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)](https://sciendo-parsed.s3.eu-central-1.amazonaws.com/660590071ae47050093cd9ef/j_aiht-2024-75-3823_fig_002.jpg?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Date=20240722T163839Z&X-Amz-SignedHeaders=host&X-Amz-Expires=18000&X-Amz-Credential=AKIA6AP2G7AKP25APDM2%2F20240722%2Feu-central-1%2Fs3%2Faws4_request&X-Amz-Signature=6fb2804bf701118962a452e327e1c62caae739fdd037cf652ef5bbc9984d9f51)