Detalhes bibliográficos
| Resumo: | Fourier transform infrared (FTIR) spectroscopy has being emphasised as a widespread technique in the quick assess of food components. In this work, procyanidins were extracted with methanol and acetone/water from the seeds of white and red grape varieties. A fractionation by graded methanol/chloroform precipitations allowed to obtain 26 samples that were characterised using thiolysis as pre-treatment followed by HPLC-UV and MS detection. The average degree of polymerisation (DPn) of the procyanidins in the samples ranged from 2 to 11 flavan-3-ol residues. FTIR spectroscopy within the wavenumbers region of 1800-700 cm(-1) allowed to build a partial least squares (PLS1) regression model with 8 latent variables (LVs) for the estimation of the DPn, giving a RMSECV of 11.7%, with a R(2) of 0.91 and a RMSEP of 2.58. The application of orthogonal projection to latent structures (O-PLS1) clarifies the interpretation of the regression model vectors. Moreover, the O-PLS procedure has removed 88% of non-correlated variations with the DPn, allowing to relate the increase of the absorbance peaks at 1203 and 1099 cm(-1) with the increase of the DPn due to the higher proportion of substitutions in the aromatic ring of the polymerised procyanidin molecules. |
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| Autores principais: | Passos, Cláudia P. |
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| Outros Autores: | Cardoso, Susana M.; Barros, António S.; Silva, Carlos M.; Coimbra, Manuel A. |
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| Assunto: | Fourier transform infrared spectroscopy Orthogonal projections to latent structures Partial least squares regression-1 Grape seed Flavan-3-ols Graded procyanidin fractionation |
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| Ano: | 2010 |
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| País: | Portugal |
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| Tipo de documento: | artigo |
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| Tipo de acesso: | acesso aberto |
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| Instituição associada: | Instituto Politécnico de Bragança |
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| Idioma: | inglês |
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| Origem: | Biblioteca Digital do IPB |
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