Optimisation of an enzymatic method to obtain modified artichoke pectin and pectic oligosaccharides using artificial neural network tools. In silico and in vitro assessment of the antioxidant activity

An enzymatic procedure to obtain modified artichoke pectin and pectic oligosaccharides (POS) (Mw 100–0.3 kDa) has been optimised through an experimental design analysed by artificial neural networks (ANN; R2 0.99), leading to high yields of these products (65.9 ± 2.1 mg 100 mg−1 pectin) at optimal c...

Descripción completa

Detalles Bibliográficos
Autores: Sabater, Carlos, Blanco-Doval, Ana, Montilla, Antonia, Corzo, Nieves
Tipo de recurso: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2021
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/250672
Acceso en línea:http://hdl.handle.net/10261/250672
Access Level:acceso abierto
Descripción
Sumario:An enzymatic procedure to obtain modified artichoke pectin and pectic oligosaccharides (POS) (Mw 100–0.3 kDa) has been optimised through an experimental design analysed by artificial neural networks (ANN; R2 0.99), leading to high yields of these products (65.9 ± 2.1 mg 100 mg−1 pectin) at optimal conditions (pH 4.41, reaction time 0.9 h, enzyme dose 17.1 U g−1 pectin), reaching a maximum theoretical desirability of 0.98. Desirability function, variable importance and sensitivity analysis were performed to interpret ANN while residual analysis demonstrated its high predictive power. Hydrolysates were purified by ultrafiltration and retentate and permeate fractions were characterised by MALDI-TOF-MS. Oligosaccharides from di- to hexasaccharides corresponding to galacturonic acid (GalA) oligomers that may be attached to neutral sugars and ferulic acid were determined, and their potential free radical scavenger activity was calculated using an in silico model (72–98% probability). The presence of specific structures in permeate (high free GalA content, GalA oligomers attached to xylose, ferulic acid or rhamnose and arabinose) and retentate fractions explained differences observed in their in vitro antioxidant activities (135.6 and 32.1 μmol Trolox g−1, respectively). The combination of in silico and in vitro methods allows establishing structure-activity relationships for modified pectin and POS fractions.