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

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.

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“…27 Je li nova kemija, a ovdje prije svega mislim na teorijsku kemiju, sazrela? Čini se da jest, jer se pojavljuje sve više znanstvenih radova koji integriraju molekulsko modeliranje i eksperimentalno istraživanje, pa i u našoj sredini 35,36 (slika 2). Više se ne može reći da teorijsko istraživanje ne može zamijeniti kemijski eksperiment.…”

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