Enzymatic Production and Characterization of Pectic Oligosaccharides Derived from Citrus and Apple Pectins: A GC-MS Study Using Random Forests and Association Rule Learning

Abstract

Pectic oligosaccharides (POS) from citrus and apple pectin hydrolysis using ViscozymeL and Glucanex200G have been obtained. According to the results, maximum POS formation was achieved from citrus pectin after 30 min of hydrolysis with ViscozymeL, with a yield of 652 mg g −1 and average molecular mass (M w ) of 0.8−2.5 kDa, while with Glucanex200G, the yield was 518 mg g −1 and M w was 0.8−7.1 kDa. Digalacturonic and trigalacturonic acids were identified among other low M w compounds as di-and tri-POS. In addition, differences in GC-MS spectra of all oligosaccharides found in the hydrolysates were studied by employing random forests and other algorithms to identify structural differences between the obtained POS, and high prediction rates were shown for new samples. Chemical structures were proposed for some influential m/z ions, and 12 association rules that explain differences according to pectin and enzyme origin were built. This information could be used to establish structure−function relationships of POS.

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

“…MP and POS can present different chemical structures depending on the depolymerisation method, reaction conditions and substrate used (da Moura et al, 2015). To characterise complex pectin and POS structures, several chromatographic techniques and mass spectrometry methods including GC-EI-MS, HILIC-MS or MALDI-TOF-MS have been used (Ognyanov et al, 2016;Sabater et al, 2019a;Sabater, Ferreira-Lazarte, Montilla, & Corzo, 2019c). MS may be also employed in combination with computational models like artificial neural networks (ANN) to elucidate fragmentation patterns of artichoke pectic sugars and POS (Sabater et al, 2019a(Sabater et al, , 2020aSabater, Abad-García, Delgado-Fernández, Corzo, & Montilla, 2020b).…”

Intestinal anti-inflammatory effects of artichoke pectin and modified pectin fractions in the dextran sulfate sodium model of mice colitis. Artificial neural network modelling of inflammatory markers

“…With this aim, machine learning algorithms like artificial neural networks (ANN) have been recently applied to characterize artichoke pectin chains extracted by different methods, 17 and to determine complex structural patterns of pectic oligosaccharides obtained from different pectin sources. 18,19 In addition, these advanced data analysis tools might be employed to develop predictive models of disease course and response to therapy, as well as for characterization of disease heterogeneity and drug development for IBD. 20 Therefore, the aim of this study was to investigate the antiinflammatory effect of artichoke pectin (AP) and modified artichoke pectin fractions (without arabinose, APwA; or galactose, APwG) in a experimental DSS model of colitis in mice.…”

Characterization of Citrus Pectin Oligosaccharides and Their Microbial Metabolites as Modulators of Immunometabolism on Macrophages

“…22 POS from citrus pectin hydrolysis using different enzymes exhibited a M w range from 0.8−7.1 kDa. 23 However, information on the structure of POS prepared using chemical methods is limited, 24 and the primary structure of the chemically degraded POS is unknown.…”

“…Enzymatic hydrolysis is another method used to produce various structurally different oligosaccharides from plant cell wall polysaccharides . POS from citrus pectin hydrolysis using different enzymes exhibited a M w range from 0.8–7.1 kDa . However, information on the structure of POS prepared using chemical methods is limited, and the primary structure of the chemically degraded POS is unknown.…”