Pirker Katharina F, Kay Christopher W M, Stolze Klaus, Tunega Daniel, Reichenauer Thomas G, Goodman Bernard A
Department of Environmental Research, Austrian Research Centers GmbH-ARC, Seibersdorf, Austria.
Free Radic Res. 2009 Jan;43(1):47-57. doi: 10.1080/10715760802585236.
Free radical generation as a result of oxidation reactions of rosmarinic acid (RA), a caffeic acid ester with 3,4-dihydroxyphenyllactate, was investigated by electron paramagnetic resonance (EPR) spectroscopy using a variety of oxidation conditions. Limitations and possibilities of using the various methodologies to obtain information about the reaction chemistry of polyphenols are discussed. Three different spectra were detected dependent on the pH and oxidizing agent. Feasible structures for the observed radicals were tested by density functional theory (DFT) calculations and the results indicate that oxidation reactions can occur at both of the catechol groups.
迷迭香酸（RA）是一种咖啡酸与3,4 - 二羟基苯乳酸形成的酯，利用电子顺磁共振（EPR）光谱在多种氧化条件下研究了其氧化反应产生自由基的情况。讨论了使用各种方法获取有关多酚反应化学信息的局限性和可能性。根据pH值和氧化剂的不同检测到三种不同的光谱。通过密度泛函理论（DFT）计算对观察到的自由基的可行结构进行了测试，结果表明氧化反应可在儿茶酚基团的两个位置发生。
