Correlation between total lipophilicity

Under these conditions, a study of the antioxidant potential of pure compounds could be carried out. Table 1 shows the values of antioxidant activity (expressed as TEAC) of different compounds of interest, determined by the on-hne method (HPLC-ARTS method) and compared with the values obtained by our conventional photometric end-point method. As can be observed, the two most important standard antioxidants, trolox and ascorbic acid, presented similar TEAC using either method. Thus, either can be used as reference to express antioxidant activity, except that trolox has the advantage because it can be used in both hydrophilic and lipophilic assays. The TEAC values of phenolic compounds were underestimated by approximately half when the HPLC-ARTS method was used as compared to the end-point method. This was due to the different reactivities of antioxidants with ARTS, and because, unfortunately, the time dependence of online scavenging activity determinations made it very difficult to obtain the total reaction for the slowest antioxidants, resulting in a partial estimation of this activity. Nevertheless, the HPLC-ARTS method provided important additional information in the form of correlation between the different peaks of a sample and their antioxidant activities. 

The close agreement between the experimental and calculated (Equation 9) ratios of 18 2/18 3 support exclusion of the 4-hydroxylphenyl analogue from the calculations. Examination of Equation 9 shows an interdependence between the biological activity and the hydrophobic properties of the chemical used, commonly found with many QSAR equations. This interdependent relationship is determined by the and terms, respectively. These terms control phenomena of hydrophobic interactions with receptors and phenomena of transport and distribution within the total biological systems. The occurrence of squared terms of the hydrophobic parameter in structure-activity correlations has been explained on the assumption that the compound has to penetrate several lipophilic-hydrophilic barriers or compartments on its way to the site of action (16, 17). This is consistent with the uptake of pyridazinones by roots and sbsequent translocation to the shoots (chloroplast) as the site of action (13). 

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