A computational study of vinylpyranoanthocyanin-phenolic pigments (portisins)

• Tipo: Artigo em Revista Científica Internacional
• Data: 2010

Autores

Alexandre R F Carvalho (Autor) Outra; Joana Oliveira (Autor) FCUP; Victor de Freitas (Autor) FCUP; Artur Silva (Autor) Outra; Nuno Mateus (Autor) FCUP; Andre Melo (Autor) FCUP

Revista

Título: Journal of Molecular Structure: THEOCHEM

Vol. 946

Páginas: 113-118

ISSN: 0166-1280

Editora: Elsevier B.V.

Indexação

ISI Web of Knowledge - 6 Citações

Scopus - 6 Citações

Classificação Científica

FOS: Ciências exactas e naturais > Química

Outras Informações

ID Authenticus: P-003-7D2

DOI: 10.1016/j.theochem.2009.07.034

Abstract (EN): In this work, some vinylpyranoanthocyanin-phenolic pigments were studied using both theoretical and experimental approaches. Detailed conformational analysis carried out both at classical and quantum levels strongly suggested a conformational flexibility. The vinylic group was associated with a putative formation of four conformer populations with implication in the physicochemical properties of the molecules in study. The theoretical results obtained are consistent with the appropriate NMR experiments carried out for these compounds.

Idioma: Inglês

Tipo (Avaliação Docente): Científica

Nº de páginas: 6