<? ACS-CT-START-Insert?> Update 2 of:<? ACS-CT-END-Insert?> Electrophilicity Index

PK Chattaraj… - Chemical …, 2011 - ACS Publications
Chemistry is the science of bond making and bond breaking. A thorough knowledge of these
processes in the course of the chemical reaction lies at the heart of any reaction mechanism …

Computational studies of free radical-scavenging properties of phenolic compounds

P Alov, I Tsakovska, I Pajeva - Current topics in medicinal …, 2015 - ingentaconnect.com
For more than half a century free radical-induced alterations at cellular and organ levels
have been investigated as a probable underlying mechanism of a number of adverse health …

Analysis of conformational, structural, magnetic, and electronic properties related to antioxidant activity: revisiting flavan, anthocyanidin, flavanone, flavonol, isoflavone …

SA de Souza Farias, KS da Costa, JBL Martins - ACS omega, 2021 - ACS Publications
Understanding the antioxidant activity of flavonoids is important to investigate their biological
activities as well as to design novel molecules with low toxicity and high activity. Aromaticity …

[HTML][HTML] Zea mays bracts extract as an eco-friendly corrosion inhibitor for steel in HCl pickling solution: Experimental and simulation studies

J Zhu, B Lin, T Duan, H Lin, G Zhang, X Zhou… - Arabian Journal of …, 2024 - Elsevier
Active phytochemicals with unique electron structures can adsorb on metal surfaces and
effectively mitigate metal corrosion. Recently, plant extracts have garnered significant …

Theoretical studies on the antioxidant activity of pinobanksin and its ester derivatives: Effects of the chain length and solvent

YZ Zheng, G Deng, DF Chen, Q Liang, R Guo, ZM Fu - Food chemistry, 2018 - Elsevier
The effects of the ester group and solvent on the structure and antioxidant activity of
pinobanksin were carried out using DFT calculation. First, the properties of the …

Study of the molecular structure and chemical reactivity of pinocembrin by DFT calculations

RD Vargas-Sánchez, AM Mendoza-Wilson… - Computational and …, 2015 - Elsevier
Abstract Pinocembrin flavonoid (C 15 H 12 O 4), 5, 7-Dihidroxyflavanone, is one of the major
chemical constituents of propolis extracts which is characterized by possessing antioxidant …

Rumex dentatus L. phenolics ameliorate hyperglycemia by modulating hepatic key enzymes of carbohydrate metabolism, oxidative stress and PPARγ in diabetic rats

RH Elsayed, EM Kamel, AM Mahmoud… - Food and Chemical …, 2020 - Elsevier
Rumex dentatus L. is a flowering plant with promising therapeutic effects. This study
investigated the antioxidant efficacy of phenolic compounds isolated from R. dentatus L. in …

Singlet oxygen reactions with flavonoids. A theoretical–experimental study

J Morales, G Günther, AL Zanocco, E Lemp - PloS one, 2012 - journals.plos.org
Detection of singlet oxygen emission, λmax= 1270 nm, following laser excitation and steady-
state methods were employed to measure the total reaction rate constant, kT, and the …

In vitro and in silico investigation of the photoprotective and antioxidant potential of Protium spruceanum leaves and its main flavonoids

TR Amparo, ACP da Silva, JB Seibert… - … of Photochemistry and …, 2022 - Elsevier
For the first time, the photoprotective potential (UV absorption and antioxidant properties) of
Protium spruceanum leaves and its main flavonoids was investigated combining an in vitro …

Flavone norartocarpetin and isoflavone 2′-hydroxygenistein: a spectroscopic study for structure, electronic property and antioxidant potential using DFT (density …

NT Son, DTM Thanh, N Van Trang - Journal of Molecular Structure, 2019 - Elsevier
Flavone and isoflavone derivatives have drawn much attention because of their antioxidant
radical scavenging capacity. Based on computational methods, we now present the …