A new, simplified model for the estimation of polyphenol oxidation potentials based on the number of OH groups

  • Ivana Novak Jovanović Institute for Medical Research and Occupational Health, Zagreb
  • Ante Miličević Institute for Medical Research and Occupational Health, Zagreb
Keywords: flavonoids, molecular modelling, QSAR/QSPR

Abstract

We present a new and simpler regression model for the estimation of the first oxidation potentials (Ep1) of flavonoids based on the number of phenolic, alcoholic, and carboxylic OH groups. In the regression we included the Ep1 of 12 polyphenols (mostly flavonols and catechins) that were measured in our laboratory at pH 3. The model yielded r=0.986 and SE=0.040. Later successive inclusions of previously reported Ep values into the regression model, 7 at pH 3, the model (N=19) yielded r=0.980, SE=0.046 and 19 at pH 7 the model (N=38), yielded r=0.985, SE=0.044.

Published
2017-06-16
How to Cite
1.
Novak Jovanović I, Miličević A. A new, simplified model for the estimation of polyphenol oxidation potentials based on the number of OH groups. AIHT [Internet]. 16Jun.2017 [cited 20Jul.2018];68(2). Available from: https://arhiv.imi.hr/index.php/arhiv/article/view/781
Section
Original article