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QSAR study of the DPPH radical scavenging activity of di(hetero)arylamines derivatives of benzo[b]thiophenes, halophenols and caffeic acid analogues
ArticleAbstract: We performed a pbkp_redictive analysis based on Quantitative Structure-Activity Relationships (QSAR)Palabras claves:Benzo[b]thiophenes, Caffeic acid analogues, Di(hetero)arylamines, Halophenols, QSAR, Radical scavenging activityAutores:Castro E.A., Lee A., Mercader A.G., Pablo R. Duchowicz, Pomilio A.B.Fuentes:scopusResonance structure contributions, flexibility, and frontier molecular orbitals (HOMO–LUMO) of pelargonidin, cyanidin, and delphinidin throughout the conformational space: application to antioxidant and antimutagenic activities
ArticleAbstract: This research refers to the study and understanding of the conformational space of the positive-charPalabras claves:Anthocyanidins, Antioxidant and antimutagenic activities, Conformational space, Cyanidin, Delphinidin, density functional theory, HOMO–LUMO, Molecular polarizability, Pelargonidin, Permanent dipole moment, Positive-charged quinoidal structuresAutores:Lobayan R.M., Pablo R. Duchowicz, Pomilio A.B., Szewczuk N.A.Fuentes:scopus