Quantitative Structure-Property Relationship (QSPR) of Plant Phenolic Compounds in Rapeseed Oil and Comparison of Antioxidant Measurement Methods

Natural antioxidants are known for their ability to scavenge free radicals and protect oils from oxidation. Our aim was to study the structural properties such as the number of hydroxyl groups and Bors criteria of phenolic substances leading to high antioxidant activity in oil in order to analyze common trends and differences in widespread in vitro antioxidant assays. Therefore, 20 different phenolic substances were incorporated into rapeseed oil and were measured using pressurized differential scanning calorimetry (P-DSC) and the Rancimat method. The Bors criteria had the highest influence on the antioxidant effect in rapeseed oil, which is why myricetin (MYR), fulfilling all Bors criteria, reached the highest result of the flavonoids. In the Rancimat test and P-DSC, MYR obtained an increase in oxidation induction time (OIT) of 231.1 +/- 44.6% and 96.8 +/- 1.8%, respectively. Due to differences in the measurement parameters, the results of the Rancimat test and P-DSC were only partially in agreement. Furthermore, we compared the results to in vitro assays (ABTS, DPPH, FC and ORAC) in order to evaluate their applicability as alternative rapid methods. These analysis showed the highest correlation of the oil methods with the results of the DPPH assay, which is, therefore, most suitable to predict the antioxidant behavior of oil.

Automated summary

This study aimed to investigate the structural properties of phenolic substances with high antioxidant activity in oil, and analyze common trends and differences in widespread in vitro antioxidant assays. The results showed that myricetin, which fulfilled all Bors criteria, had the highest antioxidant effect in rapeseed oil. The DPPH assay was found to be the most suitable for predicting the antioxidant behavior of oil compared to other in vitro assays.