Photoelectron Spectroscopic and Computational Study of the Deprotonated Gallic Acid and Propyl Gallate Anions
Photoelectron Spectroscopic and Computational Study of the Deprotonated Gallic Acid and Propyl Gallate Anions
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去质子化没食子酸和没食子酸丙酯阴离子的光电子能谱和计算研究
DOI：
10.1021/jasms.2c00017
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发表时间：
2022
影响因子：
3.2
通讯作者：
Bowen, Kit H.
中科院分区：
文献类型：
--
作者：
Zhu, Zhaoguo;Marshall, Mary;Harris, Rachel;Collins, Evan;Bowen, Kit H.
抗氧化剂在消除活性氧（ROS）方面发挥着重要作用，活性氧与各种退行性疾病有关，如癌症、衰老和炎症性疾病。没食子酸（GA）和没食子酸丙酯（PG）是众所周知的抗氧化剂，并在体外和体内得到了广泛的研究。 GA和PG的生物抗氧化能力与其脱氢自由基的电子结构有关。在这项工作中，我们报告了去质子化没食子酸阴离子，[GA – H]− 和去质子化没食子酸丙酯阴离子，[PG – H]− 的联合光电子能谱和计算研究。测得脱氢没食子酸自由基 [GA – H]· 和脱氢丙基没食子酸自由基 [PG – H]· 的绝热电子亲和势分别为 2.90 ± 0.05 eV 和 2.85 ± 0.05 eV，并与计算结果进行比较。
Antioxidants play important roles in eliminating reactive oxygen species (ROS), which have been associated with various degenerative diseases, such as cancer, aging, and inflammatory diseases. Gallic acid (GA) and propyl gallate (PG) are well-known antioxidants and have been widely studied in vitro and in vivo. The biological antioxidant abilities of GA and PG are related to the electronic structure of their dehydro-radicals. In this work, we report a combined photoelectron spectroscopic and computational study of the deprotonated gallic acid anion, [GA – H]−, and deprotonated propyl gallate anion, [PG – H]−. Adiabatic electron affinities of the dehydro-gallic acid radical, [GA – H]· and of the dehydro-propyl gallate radical, [PG – H]·, are measured to be 2.90 ± 0.05 eV and 2.85 ± 0.05 eV, respectively, and compared to computational results.