| Conţinutul numărului revistei |
| Articolul precedent |
| Articolul urmator |
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 1282 12 |
| Ultima descărcare din IBN: 2023-04-30 15:19 |
| Căutarea după subiecte similare conform CZU |
| 547.2/.8 (3) |
| Organic chemistry (484) |
 SM ISO690:2012GORBACHEV, Mikhail, GORINCHOY, Natalia, ARSENE, Ion. Antioxidant properties of dihydroxyfumaric acid and its dimethyl ether: a comparative dft study of their reactions with the stable radical DPPH* . In: Chemistry Journal of Moldova, 2015, nr. 1(10), pp. 89-94. ISSN 1857-1727. DOI: https://doi.org/10.19261/cjm.2015.10(1).13 |
| EXPORT metadate: Google Scholar Crossref CERIF DataCite Dublin Core |
 Chemistry Journal of Moldova |
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| Numărul 1(10) / 2015 / ISSN 1857-1727 /ISSNe 2345-1688 | ||||||
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| DOI:https://doi.org/10.19261/cjm.2015.10(1).13 | ||||||
| CZU: 547.2/.8 | ||||||
| Pag. 89-94 | ||||||
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| Rezumat | ||||||
The preferred mechanism of the reaction of dihydroxyfumaric acid and its dimethyl ether with the free stable radical 1,1-diphenyl-2-picrylhydrazyl (DPPH*) was revealed by means of Density Functional Theory (DFT) calculations. The proposed mechanism has an ionic character and includes the formation of charge-transfer complexes as the main stage. It is also shown that the lower antioxidant activity of dimethyl ether of dihydroxyfumaric acid is caused by both its lower acidity (as compared with its precursor acid) and formation of more stable intermediates during its reaction with DPPH*. Our results allow one to rationalize the available experimental data. |
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| Cuvinte-cheie antioxidant activity, dihydroxyfumaric acid, DPPH*, dimethyl ether of dihydroxyfumaric acid, DFT calculations. |
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