Support vector regression-guided unravelling: antioxidant capacity and quantitative structure-activity relationship predict reduction and promotion effects of flavonoids on acrylamide formation.

Mengmeng Huang,Jun Wang,Yu Zhang,Yan Wei

doi:10.1038/srep32368

Abstract

We used the support vector regression (SVR) approach to predict and unravel reduction/promotion effect of characteristic flavonoids on the acrylamide formation under a low-moisture Maillard reaction system. Results demonstrated the reduction/promotion effects by flavonoids at addition levels of 1–10000 μmol/L. The maximal inhibition rates (51.7%, 68.8% and 26.1%) and promote rates (57.7%, 178.8% and 27.5%) caused by flavones, flavonols and isoflavones were observed at addition levels of 100 μmol/L and 10000 μmol/L, respectively. The reduction/promotion effects were closely related to the change of trolox equivalent antioxidant capacity (ΔTEAC) and well predicted by triple ΔTEAC measurements via SVR models (R: 0.633–0.900). Flavonols exhibit stronger effects on the acrylamide formation than flavones and isoflavones as well as their O-glycosides derivatives, which may be attributed to the number and position of phenolic and 3-enolic hydroxyls. The reduction/promotion effects were well predicted by using optimized quantitative structure-activity relationship (QSAR) descriptors and SVR models (R: 0.926–0.994). Compared to artificial neural network and multi-linear regression models, SVR models exhibited better fitting performance for both TEAC-dependent and QSAR descriptor-dependent predicting work. These observations demonstrated that the SVR models are competent for predicting our understanding on the future use of natural antioxidants for decreasing the acrylamide formation.

Highlights

Cookie and potato starch-based matrices[12]
The Maillard reaction between asparagine and glucose in an equimolar level was conducted to investigate the effect of selected flavonoids on acrylamide formation in a low-moisture potato matrix through oven-heating treatments (Fig. 2A)
We investigated the association of reduction/promotion effect of flavonoids with their phenolic and 3-enolic hydroxyls, and concluded that the enhancement of both inhibition and promotion effects is associated with increasing numbers of phenolic and 3-enolic hydroxyls at all addition levels of flavonoids (Table 1)

Summary

Introduction

Cookie and potato starch-based matrices[12]. Oral et al.[13] found that all selected phenolic compounds and plant herbs except oleuropein decrease the acrylamide levels within the range of 30.8–85.0% in glycine-glucose and asparagine-fructose model systems, and reduce the acrylamide formation by 10.3–19.2% in biscuit. Flavonoids are polyphenolic compounds and widely distributed as secondary metabolites in plant kingdom, which have been classified as flavones, flavanones, flavanols, flavonols, anthocyanidines, isoflavonoids and neoflavonoids Their biological, pharmacological and medicinal properties have been extensively reported elsewhere[18]. Given antioxidant- and structure-dependent relationships, the antioxidant attributes of Maillard reaction products (MRP) and functional groups of flavonoids may be used for predicting the generation and elimination of acrylamide. The present work systematically evaluated the effect of 13 representative flavonoids, including flavones, flavonols and isoflavones, on the acrylamide formation via investigating of antioxidant- and structure-dependent relationships using the SVR approach under the low-moisture heating conditions, and predicted the contribution of antioxidant properties of MRP and chemical structures of flavonoid antioxidants to the inhibition or promotion on the acrylamide formation

Methods

Results

Conclusion