Mechanistic Evaluation of Radical Scavenging Pathways in Ginger Phenolics: A DFT Study of 6-Gingerol, 6-Shogaol, and 6-Paradol. [PDF]
Int J Mol SciUnderstanding the molecular determinants of antioxidant activity in natural phenolic compounds is essential for explaining their biological performance and designing new radical scavengers.
Lgaz H, Messali M, Lee HS.
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Antioxidant activity at the molecular level: exploring ways of action and computational tools to investigate them. [PDF]
Chem SciDespite their apparent simplicity, antioxidants are involved in numerous and complex processes. Several key aspects of antioxidant chemistry are covered in this review.
Galano A.
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O sound design de Alan Splet para David Lynch sob a perspectiva do horror fílmico
Galáxia, 2019 O sound designer americano Alan Splet (1939-1994) participou da producao de 25 filmes. Com o diretor David Lynch, criou efeitos sonoros e ambiencias mais livres de vinculos com a verossimilhanca. Eles trabalharam juntos no curta-metragem The grandmother (
Laura Cánepa +2 more
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Two Theorems and Important Insight on How the Preferred Mechanism of Free Radical Scavenging Cannot Be Settled. Comment on Pandithavidana, D.R.; Jayawardana, S.B. Comparative Study of Antioxidant Potential of Selected Dietary Vitamins; Computational Insights. Molecules 2019, 24, 1646 [PDF]
Molecules, 2022 Totally ignoring that the five enthalpies of reaction—bond dissociation enthalpy (BDE), adiabatic ionization potential (IP), proton dissociation enthalpy (PDE), proton affinity (PA), and electron transfer enthalpy (ETE)—characterizing the three free ...
Ioan Bâldea
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Mechanism of Antiradical Activity of Coumarin-Trihydroxybenzohydrazide Derivatives: A Comprehensive Kinetic DFT Study [PDF]
AntioxidantsAs part of this study, the mechanisms of the antioxidant activity of previously synthesized coumarin–trihydrobenzohydrazine derivatives were investigated: (E)-2,4-dioxo-3-(1-(2-(2″,3″,4″-trihydroxybenzoyl)hydrazineyl)ethylidene)chroman-7-yl acetate (1 ...
Žiko Milanović +7 more
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Computationally Guided Structural Modification of Centaureidin: A Novel Approach for Enhancing Antioxidant and Antitumor Activities for Drug Development. [PDF]
Chem Biol Drug DesComputationally guided modifications of centaureidin led to the development of CA4, demonstrating enhanced antioxidant and antitumor activities. Molecular docking and in vitro assays confirm improved binding affinity and cytotoxicity, highlighting CA4's potential as a promising drug candidate for cancer therapy.
Alruhaimi RS +5 more
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Konferenca SWIB14 semantični splet v knjižnicah
Organizacija Znanja, 2015 Budimir, Gordana, Zupančič, Nevenka
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Antioxidative activity of caffeic acid: Mechanistic DFT study [PDF]
Kragujevac Journal of Science, 2017 This paper reports the results of comprehensive mechanistic investigations of the hydrogen atom transfer (HAT), radical adduct formation (RAF), single electron transfer – proton transfer (SET-PT), and sequential proton loss electron transfer (SPLET ...
Redžepović Izudin +2 more
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Science of Gymnastics Journal, 2020 The objective of this study was to describe the scientific production on men’s artistic gymnastics (MAG) in journals indexed on the Scopus and Web of Science platforms.
Pauline Iglesias Vargas +1 more
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Quantum chemical investigation of the antiradical property of avenanthramides, oat phenolics
Heliyon, 2021 Avenanthramides (AVs) are polyphenolic components found in oats. The present work is devoted to the exploration of structure-based radical scavenging activity of nine AVs; 2p, 2f, 2c, 1p, 1c, 1f, 1s, 2s, and 3f, using M06-2X functional level of density ...
P.C. Sumayya +2 more
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