Artículo
Amino acid profiles and quantitative structure-property relationships for malts and beers
Pomilio, Alicia Beatriz
; Duchowicz, Pablo Román
; Giraudo, Miguel Angel Domingo; Castro, Eduardo Alberto
Fecha de publicación:
05/2010
Editorial:
Elsevier Science
Revista:
Food Research International
ISSN:
0963-9969
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
Experimental amino acid concentrations of blonde and black commercial beers, brewed in Argentina, as well as national malts were subjected for the first time to Quantitative Structure-Property Relationships (QSPRs). Thus, Dragon theoretical descriptors were derived for a set of optimised amino acid structures with the purpose of assessing QSPR models. We used the statistical Replacement Method for designing the best multi-parametric linear regression models, which included structural features selected from a pool containing 1497 constitutional-, topological-, geometrical-, and electronic-type molecular descriptors. In this work QSPR results were in good agreement with experimental amino acid profiles, thus demonstrating the predictive power of the designed QSPRs. QSPR-modelling was used to predict aminograms, and was also used to estimate non-available amino acid concentrations for these malts, and beers. The developed QSPR approach showed to be an useful tool for discriminating among blonde and dark beers, and malts. This is a new application of the QSPR theory to food, in particular to chemical biomarkers of malts and beers.
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Articulos(IBIMOL)
Articulos de INSTITUTO DE BIOQUIMICA Y MEDICINA MOLECULAR
Articulos de INSTITUTO DE BIOQUIMICA Y MEDICINA MOLECULAR
Articulos(INIFTA)
Articulos de INST.DE INV.FISICOQUIMICAS TEORICAS Y APLIC.
Articulos de INST.DE INV.FISICOQUIMICAS TEORICAS Y APLIC.
Citación
Pomilio, Alicia Beatriz; Duchowicz, Pablo Román; Giraudo, Miguel Angel Domingo; Castro, Eduardo Alberto; Amino acid profiles and quantitative structure-property relationships for malts and beers; Elsevier Science; Food Research International; 43; 4; 5-2010; 965-971
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