[HTML][HTML] Computational study of synthetic and natural polymer additives—Antioxidant potential of BHA, TBHQ, BHT, and curcumin

DK Thbayh, B Fiser - Polymer Degradation and Stability, 2022 - Elsevier
The antioxidant potential of commonly used synthetic and natural antioxidant additives,
including butylated hydroxytoluene (BHT), butylated hydroxyanisole (BHA), tert …

Phenolic acids and their carboxylate anions: Thermodynamics of primary antioxidant action

M Biela, A Kleinová, E Klein - Phytochemistry, 2022 - Elsevier
Phenolic acids represent naturally occurring antioxidants and play important role in free
radicals scavenging. In this work, we have studied thermodynamics of the first step of …

How does pyridoxamine inhibit the formation of advanced glycation end products? The role of its primary antioxidant activity

R Ramis, J Ortega-Castro, C Caballero, R Casasnovas… - Antioxidants, 2019 - mdpi.com
Pyridoxamine, one of the natural forms of vitamin B6, is known to be an effective inhibitor of
the formation of advanced glycation end products (AGEs), which are closely related to …

Comparative study of antioxidant potential of selected dietary vitamins; computational insights

DR Pandithavidana, SB Jayawardana - Molecules, 2019 - mdpi.com
Density functional theory (DFT) was used to explore the antioxidant properties of some
naturally occurring dietary vitamins, and the reaction enthalpies related to various …

Theoretical investigation on the structure and antioxidant activity of (+) catechin and (−) epicatechin–a comparative study

S Anitha, S Krishnan, K Senthilkumar… - Molecular …, 2020 - Taylor & Francis
The monomeric flavan-3-ols, namely (+) catechin (CT) and (−) epicatechin (ECT), are two
important antioxidants available in nature. Density functional theory method has been used …

Thermodynamics, kinetics and structure-activity relationship of hydroxyanthraquinones scavenging free radicals

Y Wang, C Liu, S Tang, J Tian, Y Wang, Y Yang - Food Bioscience, 2023 - Elsevier
Hydroxyanthraquinones (HAQs) have a significant antioxidant activity. In this study, the
thermodynamic parameters, frontier molecular orbitals, and dynamic process of HAQs …

Deprotonation of flavonoids severely alters the thermodynamics of the hydrogen atom transfer

E Klein, J Rimarčík, E Senajová, A Vagánek… - Computational and …, 2016 - Elsevier
Deprotonated polyphenolics exhibit different free radical scavenging activity than parent
molecules. Therefore, this study is focused on the hydrogen atom transfer (HAT) from mono …

Comparison study of 4′-O-methylpyridoxine analogues in Ginkgo biloba seeds from different regions of China

H Gong, CE Wu, XH Kou, GJ Fan, TT Li… - Industrial Crops and …, 2019 - Elsevier
Ginkgo biloba seeds are widely used in the food and medicine industry. This study aimed to
compare the contents of anti-vitamin B 6 (VB 6), including 4′-O-methylpyridoxine (MPN) …

Investigation of the free radical scavenging ability of l-tryptophan and its derivatives using experimental methods and quantum chemical calculations

DQ Huong, PDT Tai, NQ Trung, NM Thong, NM Tam… - RSC …, 2024 - pubs.rsc.org
The free radical scavenging ability of L-tryptophan (LP) and 5-hydroxy-L-tryptophan (HLP)
was evaluated using experimental and theoretical methods. The impact of antioxidant …

On the free radical scavenging and metallic ion chelating activities of pyridoxal-Could the pro-oxidant risk be competitive?

TC Ngo, DH Truong, TTN Nguyen, DT Quang, DQ Dao - Phytochemistry, 2022 - Elsevier
Primary and secondary antioxidant activities of pyridoxal have been investigated by using
density functional theory (DFT) at the M05–2X level combined with 6–311++ G (d, p) basis …