{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,25]],"date-time":"2026-07-25T17:27:02Z","timestamp":1785000422420,"version":"3.55.0"},"reference-count":79,"publisher":"MDPI AG","issue":"12","license":[{"start":{"date-parts":[[2021,12,16]],"date-time":"2021-12-16T00:00:00Z","timestamp":1639612800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Antioxidants"],"abstract":"<jats:p>Nopal (Opuntia ficus indica) belonging to the Cactacea family has many nutritional benefits attributed to a wide variety of phenolic and flavonoid compounds. Coumaric acid (COA), ferulic acid (FLA), protocatechuic acid (PRA), and gallic acid (GAA) are the phenolic acids (PhAs) present in nopal. In this study, the role of these PhAs in copper-induced oxidative stress was investigated using the density functional theory (DFT). The PhAs form 5 thermodynamically favorable complexes with Cu(II), their conditional Gibbs free energies of reaction (\u0394G\u2019, at pH = 7.4, in kcal\/mol) are from \u221223 kcal\/mol to \u221218 kcal\/mol. All of them are bi-dentate complexes. The complexes of PRA and GAA are capable of inhibiting the Cu(II) reduction by both O2\u2022\u2212 and Asc\u2212, their reactions with the chelated metal are endergonic having rate constants about ~10\u22125\u2013102 M\u22121 s\u22121, PhAs can prevent the formation of hydroxyl free radicals by chelating the copper ions. Once the hydroxyl radicals are formed by Fenton reactions, the complexes of PhAs with Cu(II) can immediately react with them, thus inhibiting the damage that they can cause to molecules of biological interest. The reactions between PhAs-Cu(II) complexes and hydroxyl free radical were estimated to be diffusion-limited (~108 M\u22121s\u22121). Thus, these chelates can reduce the harmful effects caused by the most reactive free radical existent immediately after it is formed by Fenton reactions.<\/jats:p>","DOI":"10.3390\/antiox10122006","type":"journal-article","created":{"date-parts":[[2021,12,16]],"date-time":"2021-12-16T11:27:36Z","timestamp":1639654056000},"page":"2006","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":14,"title":["Antioxidants into Nopal (Opuntia ficus-indica), Important Inhibitors of Free Radicals\u2019 Formation"],"prefix":"10.3390","volume":"10","author":[{"given":"Romina","family":"Casta\u00f1eda-Arriaga","sequence":"first","affiliation":[{"name":"Departamento de Qu\u00edmica, Universidad Aut\u00f3noma Metropolitana-Iztapalapa, San Rafael Atlixco 186, Col. Vicentina, Iztapalapa, Ciudad de Mexico 09340, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Adriana","family":"Perez-Gonzalez","sequence":"additional","affiliation":[{"name":"CONACYT-Universidad Aut\u00f3noma Metropolitana, Iztapalapa, San Rafael Atlixco 186, Col. Vicentina, Iztapalapa, Ciudad de Mexico 09340, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2386-9078","authenticated-orcid":false,"given":"Tiziana","family":"Marino","sequence":"additional","affiliation":[{"name":"Dipartimento di Chimica e Tecnologie Chimiche, Universita\u00e0 della Calabria, I-87036 Arcavacata di Rende, Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3826-3386","authenticated-orcid":false,"given":"Nino","family":"Russo","sequence":"additional","affiliation":[{"name":"Dipartimento di Chimica e Tecnologie Chimiche, Universita\u00e0 della Calabria, I-87036 Arcavacata di Rende, Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1470-3060","authenticated-orcid":false,"given":"Annia","family":"Galano","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica, Universidad Aut\u00f3noma Metropolitana-Iztapalapa, San Rafael Atlixco 186, Col. 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