Original scientific paper
https://doi.org/10.1515/aiht-2017-68-2988
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, Croatia
Ante Miličević
; Institute for Medical Research and Occupational Health, Zagreb, Croatia
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.
Keywords
flavonoids; molecular modelling; QSAR/QSPR
Hrčak ID:
183253
URI
Publication date:
20.6.2017.
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