REPOZITORIU UPSC
Studiul teoretic al activității antiradicalice a 3,4,4΄-trihidroxi-trans- stilben
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| dc.contributor.author | ARSENE, Ion | |
| dc.contributor.author | PURCEL, Viorica | |
| dc.date.accessioned | 2024-01-16T11:54:41Z | |
| dc.date.available | 2024-01-16T11:54:41Z | |
| dc.date.issued | 2023 | |
| dc.identifier.citation | ARSENE, Ion, PURCEL, Viorica. Studiul teoretic al activității antiradicalice a 3,4,4΄- trihidroxi-trans- stilben. În: Învățământul superior: tradiţii, valori, perspective: Materialele conferinței științifice internaționale, 29-30 septembrie 2023. Universitatea Pedagogică de Stat "Ion Creangă" din Chișinău. Chișinău: CEP UPSC, 2023, pp. 383-389. ISBN 978-9975-46-816-9. | en_US |
| dc.identifier.isbn | 978-9975-46-816-9 | |
| dc.identifier.uri | http://dir.upsc.md:8080/xmlui/123456789/5868 | |
| dc.description.abstract | In this paper, the antioxidant capacity of the polyphenol 3,4,4΄-trihydroxy-trans-stilbene (3,4,4΄-TSH) was theoretically determined, using the GAUSSIAN 09 software package, applying the DFT method with the hybrid exchange-correlation functional B3LYP and the standard 6-31G basic sets. The mechanism of neutralization of the free radical DPPH• (2,2-diphenyl-1-picrylhydrazyl) with 3,4,4΄-TSH, through the direct transfer of hydrogen in the gas phase, was described. The complete neutralization process takes place in 3 consecutive stages and from a thermodynamic point of view the reaction is exothermic. | en_US |
| dc.language.iso | ro | en_US |
| dc.publisher | Universitatea Pedagogică de Stat "Ion Creangă" | en_US |
| dc.subject | DFT calculations | en_US |
| dc.subject | Antioxidants | en_US |
| dc.subject | Stilbenes | en_US |
| dc.subject | Free radicals | en_US |
| dc.subject | DPPH | en_US |
| dc.subject | Energy stability | en_US |
| dc.subject | Transition state | en_US |
| dc.subject | Calcule DFT | en_US |
| dc.subject | Antioxidanți | en_US |
| dc.subject | Radicali liberi | en_US |
| dc.subject | Stabilitate energetică | en_US |
| dc.subject | Stare de tranziție | en_US |
| dc.title | Studiul teoretic al activității antiradicalice a 3,4,4΄-trihidroxi-trans- stilben | en_US |
| dc.title.alternative | Theoretical study of the anti-radical activity of 3,4,4΄- trihydroxy-trans-stilbene | en_US |
| dc.type | Article | en_US |
