2017
DOI: 10.1007/s11224-017-1033-9
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Influence of intrinsic and extrinsic factors on the antiradical activity of Gallic acid: a theoretical study

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Cited by 17 publications
(8 citation statements)
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“…(1,g) value reported here, was checked by using, i/ the atomization method at G3 and G4 levels of theory. The values obtained were -839.5 and -831.6 kJ•mol -1 , respectively; which are close to the experimental one (differences are less than 4.1 kJ•mol -1 ); ii/ isodesmic reactions (6), (7) and 8 [38]) should be re-evaluated (see Supplementary Information S5). It is important to mention that pyrogallol readily autooxidizes in air and this can complicate many measurements of its properties.…”
Section: Figure 2 Heresupporting
confidence: 79%
See 1 more Smart Citation
“…(1,g) value reported here, was checked by using, i/ the atomization method at G3 and G4 levels of theory. The values obtained were -839.5 and -831.6 kJ•mol -1 , respectively; which are close to the experimental one (differences are less than 4.1 kJ•mol -1 ); ii/ isodesmic reactions (6), (7) and 8 [38]) should be re-evaluated (see Supplementary Information S5). It is important to mention that pyrogallol readily autooxidizes in air and this can complicate many measurements of its properties.…”
Section: Figure 2 Heresupporting
confidence: 79%
“…Ellagic acid (2) is a dimeric form of gallic acid (1) (See Scheme 1), and comprised of a fused four-ring structure with four hydroxyl groups and two lactone rings representing the hydrophilic part. The antioxidant activity of these compounds are related to their molecular structure, particularly to the presence and the number of hydroxyl groups, to the conjugation and the resonance effects and also to the capacity to improve the stability of their corresponding phenoxyl radicals [7]- [10].…”
Section: Introductionmentioning
confidence: 99%
“…Thus, FeHOBP retains crystallinity after 16 hr in boiling water, in saline solution, as well as in buffer solutions with pH values of 4 and 10 (Figure S21). The chemical stability of FeHOBP can be associated both with the increased dimensionality of the SBU, and with the high p K a value of pyrogallol, [24] resulting in strong metal‐ligand interactions. These findings place FeHOBP among the chemically stable MOFs, a key feature for fully exploiting the potential of this class of materials [25]…”
Section: Resultsmentioning
confidence: 99%
“…Gallic acid has four hydroxyl groups that may be used to neutralize free radicals. As the para O-H bond has the lowest bond dissociation energy, it is the most likely location for hydrogen atom donation and forms the most stable radical (Badhani & Kakkar, 2018). The cold plasma treatment generally favored the increase in gallic acid concentration in strawberry juice.…”
Section: Gallic Acidmentioning
confidence: 99%