The significance of long-range correction to the hydroperoxyl radical-scavenging reaction of trans-resveratrol and gnetin C

Khoirunisa, Vera; Rusydi, Febdian; Boli, Lusia S. P.; Puspitasari, Ira; Rachmawati, Heni; Dipojono, Hermawan Kresno

doi:10.1098/rsos.201127

Cited by 6 publications

(6 citation statements)

References 44 publications

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“…The IC 50 values of free R, RNP-1, RNP-2, and Vc against ABTS radicals were 0.006, 0.007, 0.008, and 0.030 mg/mL, respectively. It has been reported that R is a good hydrogen atom donor that exhibits strong antioxidant activity against various free radicals . Our result showed that both RNP-1 and RNP-2 have DPPH- and ABTS-scavenging capacities comparable with that of free R. The encapsulation process did not adversely affect R’s antioxidant activity.…”

Section: Resultsmentioning

confidence: 47%

“…It has been reported that R is a good hydrogen atom donor that exhibits strong antioxidant activity against various free radicals. 39 Our result showed that both RNP-1 and RNP-2 have DPPH-and ABTS-scavenging capacities comparable with that of free R. The encapsulation process did not adversely affect R's antioxidant activity. Both void NP-1 and void NP-2 showed no DPPH-and ABTSscavenging ability.…”

Section: Preparation and Characterization Of Nanoparticlesmentioning

confidence: 50%

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Development of Multifunctional Nanoencapsulated trans-Resveratrol/Chitosan Nutraceutical Edible Coating for Strawberry Preservation

Zhou

et al. 2023

ACS Nano

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Phytochemical nanoencapsulation for nutrient delivery and edible coatings for perishable food preservation are two emerging technologies. Leveraging the strong antimicrobial function of phytochemical nutrients, we propose convergent research to integrate the two technologies by embedding phytochemical-encapsulated nanoparticles in an edible coating on fresh fruits to achieve multiple functions. In particular, we report the study of an edible coating on strawberries that is composited of trans-resveratrol (R)-encapsulated nanoparticles (RNPs) embedded in a chitosan (CS) matrix. The biodegradable and biocompatible RNPs significantly increased the aqueous solubility of R by 150-fold and bioavailability by 3.5-fold after oral administration. Our results demonstrated the abilities of the RNP-embedded CS edible coating to diminish dehydration, prevent nutrient loss, inhibit microbe growth, increase nutraceutical value, preserve strawberry quality, and extend shelf life during storage at both 22 and 4 °C. Such a phytochemical nanoencapsulation-based edible coating is promising for the dual purposes of enhancing nutrient delivery and preserving perishable foods.

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Section: Resultsmentioning

confidence: 47%

Section: Preparation and Characterization Of Nanoparticlesmentioning

confidence: 50%

Development of Multifunctional Nanoencapsulated trans-Resveratrol/Chitosan Nutraceutical Edible Coating for Strawberry Preservation

Zhou

et al. 2023

ACS Nano

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“…Despite having excellent thermodynamic parameters, the Γ value of 10b-CH is below 1%, indicating this site has a negligible impact on antioxidative properties. Such contrasting thermodynamics and kinetics phenomenon of CH abstraction were also found in artepillin C [55], some lignans [56] and gnetin C [57].…”

Section: Feasibility Study Of • Ooh Scavenging Sites Via Thermodynami...mentioning

confidence: 86%

Elucidation of reactive oxygen species scavenging pathways of norbergenin utilizing DFT approaches

et al. 2022

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Bergenin is a polyphenolic compound that contains isocoumarin skeletal derived from C -glycosylated 4- O -methylgallic acid. The biological activities of this compound and its derivatives are quite diverse. Recent studies reveal neuroprotective effects in vitro and in vivo in Alzheimer's. Norbergenin is a demethylated form of bergenin, known for better antioxidant capacity and associated with neuroprotective properties through oxidative stress inhibition. This study focused on investigating the scavenging mechanism of norbergenin with the • OH, • OOH, and O 2 ∙ − as a radical model under physiological and lipid environments. The thermodynamic and kinetic parameters of the hydrogen transfer (HT), single electron transfer (SET), sequential proton lost-electron transfer (SPLET) and radical adduct formation (RAF) mechanisms were determined theoretically by the density functional theory (DFT) at M06-2X/6-311 + + G(d,p) level of theory. Based on the computational results, this compound has proved as an excellent • OOH and • OH scavenger under physiological conditions better than Trolox and vitamin C, whereas its radical demonstrated as an efficient O 2 ∙ − scavenger.

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“…Therefore, geometry optimization of all structures in their closed-shell singlet ground states was performed at B3LYP-D3/6-311G(d,p) level of theory in a gas phase. D3 denotes the empirical Grimme dispersion corrections (D3) [ 59 ], which were included in the calculations due to their importance in the radical study [ 60 ]. Radicals represent an open-shell system, so an unrestricted formalism was used in the calculations.…”

Section: Methodsmentioning

confidence: 99%

In Vitro Evaluation and In Silico Calculations of the Antioxidant and Anti-Inflammatory Properties of Secondary Metabolites from Leonurus sibiricus L. Root Extracts

Merecz-Sadowska,

Sitarek,

Kowalczyk

et al. 2023

Molecules

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Leonurus sibiricus L. has great ethnobotanical and ethnomedicinal significance. This study aimed to assess the antioxidant and anti-inflammatory properties of Leonurus sibiricus L. transgenic roots extracts transformed by Rhizobium rhizogenes, with and without the AtPAP1 transcriptional factor. The study determined the total phenolic and flavonoid contents, as well as in vitro antioxidant assays, including hydrogen peroxide and nitric oxide scavenging activity. In addition, in silico computational studies and molecular docking were conducted to evaluate the antioxidant and anti-inflammatory potential of the identified compounds. The ligands were docked to NADPH oxidase, cyclooxygenase 2,5-lipoxygenase, inducible nitric synthase and xanthine oxidase: enzymes involved in the inflammatory process. The total phenolic and flavonoid contents ranged from 85.3 ± 0.35 to 57.4 ± 0.15 mg/g GAE/g and 25.6 ± 0.42 to 18.2 ± 0.44 mg/g QUE/g in hairy root extracts with and without AtPAP1, respectively. H2O2 scavenging activity (IC50) was found to be 29.3 µg/mL (with AtPAP1) and 37.5 µg/mL (without AtPAP1 transcriptional factor), and NO scavenging activity (IC50) was 48.0 µg/mL (with AtPAP1) and 68.8 µg/mL (without AtPAP1 transcriptional factor). Leonurus sibiricus L. transformed root extracts, both with and without AtPAP1, are a source of phytochemicals belonging to different classes of molecules, such as flavonoids (catechin and rutin), phenolic compounds (caffeic acid, coumaric acid, chlorogenic acid, ferulic acid) and phenylpropanoid (verbascoside). Among the radicals formed after H removal from the different -OH positions, the lowest bond dissociation enthalpy was observed for rutin (4′-OH). Rutin was found to bind with cyclooxygenase 2, inducible nitric synthases and xanthine oxidase, whereas chlorogenic acid demonstrated optimal binding with 5-lipoxygenase. Therefore, it appears that the Leonurus sibiricus L. transformed root extract, both with and without the AtPAP1 transcriptional factor, may serve as a potential source of active components with antioxidant and anti-inflammatory potential; however, the extract containing AtPAP1 demonstrates superior activities. These properties could be beneficial for human health.

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The significance of long-range correction to the hydroperoxyl radical-scavenging reaction of trans-resveratrol and gnetin C

Cited by 6 publications

References 44 publications

Development of Multifunctional Nanoencapsulated trans-Resveratrol/Chitosan Nutraceutical Edible Coating for Strawberry Preservation

Development of Multifunctional Nanoencapsulated trans-Resveratrol/Chitosan Nutraceutical Edible Coating for Strawberry Preservation

Elucidation of reactive oxygen species scavenging pathways of norbergenin utilizing DFT approaches

In Vitro Evaluation and In Silico Calculations of the Antioxidant and Anti-Inflammatory Properties of Secondary Metabolites from Leonurus sibiricus L. Root Extracts

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