Sakurai, Shuhei published the artcileStructure-antioxidant activity (oxygen radical absorbance capacity) relationships of phenolic compounds, Name: 3-Hydroxyphenylacetic acid, the publication is Structural Chemistry (2022), 33(4), 1055-1062, database is CAplus.
Antioxidant capacity is the extent to which a compound can eliminate reactive oxygen species, and in vitro methods for its chem. evaluation have been proposed. Among these methods, the oxygen radical absorbance capacity (ORAC) assay comes close to the oxidation reaction in the living body because it generates radical species that mimic the lipid peroxyl radical involved in the peroxidation reaction of biol. components and react in a phosphate buffer. In this study, PM7, a semi-empirical MO method, was used to calculate the thermodn. properties (bond dissociation enthalpy, ionisation potential and proton affinity) associated with ORAC. We also applied the clusterwise linear regression anal. as a statistical method for grouping the antioxidants by structure. By analyzing the data for antioxidants, the trend in the hydrophilic ORAC values was determined using the calculated structures and bond dissociation enthalpies of the groups classified according to the presence or absence of oxygen functional groups in the ortho position of phenol. Further studies of indicators other than bond dissociation enthalpy are needed to predict the ORAC of other antioxidants such as flavonoids and indoles.
Structural Chemistry published new progress about 621-37-4. 621-37-4 belongs to alcohols-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Phenol,Natural product, name is 3-Hydroxyphenylacetic acid, and the molecular formula is C8H8O3, Name: 3-Hydroxyphenylacetic acid.
Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts