Hydroxyl Radical, Singlet Oxygen, and Oxidized Product Formation in Photoaged Quinones and Combustion-derived Particles

Data sets used for the study 'The Photochemistry of Quinones and Combustion-derived Particles in Forming Hydroxyl Radicals and Singlet Oxygen in the Atmosphere' by Desiree J. Sarmiento and Dr. Brian J. Majestic from the University of Denver in Denver, Colorado, USA. These sets include HPLC data for determining hydroxyl radical and singlet oxygen concentrations observed from the photoaging of combustion-derived particles (CDPs), quinones, and anthracene in the aqueous phase; HPLC data for the product formation in photoaged 1,4-naphthoquinone (1,4-NAPQ) and photoaged juglone; and GC-MS data of photoaged 1,4-anthraquinone (1,4-ANTQ) and 1,4-NAPQ samples. The CDP samples investigated in this work are hexane CDPs (hx-CDP), ethanol-hx-CDPs (EtOH-hx-CDPs), and iron pentacarbonyl-hx-CDPs (Fe(CO)5-hx-CDPs). The hydroxyl radical concentration per particle mass and the singlet oxygen concentration per particle (See Steps to reproduce) were plotted over the photolysis time to visualize the formation behavior of these species over the course of the photoaging of CDPs, quinones, and anthracene. Files of the MATLAB Curve Fitter results that describe these plots are also provided. All the data obtained support my hypothesis that in sunlit, cloud-water environments, polycyclic aromatic hydrocarbons (PAHs), which are byproducts from incomplete combustion, can oxidize into photosensitizers (light-absorbing compounds that undergo excitation to the singlet and triplet states). These photosensitizers can then partake in radical reactions to form singlet oxygen and catalyze hydroxyl radicals, which result in excess reactive oxygen species (ROS) in the atmosphere.

本研究数据集由丹妮丝·J·萨米恩托（Desiree J. Sarmiento）博士及布莱恩·J·马杰斯特（Dr. Brian J. Majestic）博士自丹佛科罗拉多大学（University of Denver）在丹佛（Denver, Colorado, USA）完成，其研究课题为《大气中羟基自由基和单线态氧的生成——燃烧产生的颗粒物和醌类化合物的光化学》。该数据集包括用于确定水相中由燃烧产生的颗粒物（CDP）、醌类化合物和蒽在光老化过程中的羟基自由基和单线态氧浓度的HPLC数据；1,4-萘醌（1,4-NAPQ）和光老化胡桃醌的光老化产物形成HPLC数据；以及光老化1,4-蒽醌（1,4-ANTQ）和1,4-NAPQ样品的GC-MS数据。本研究涉及的CDP样品包括己烷CDP（hx-CDP）、乙醇-己烷CDP（EtOH-hx-CDPs）和五羰基铁己烷CDP（Fe(CO)5-hx-CDPs）。通过绘制每颗粒物质量的羟基自由基浓度和每颗粒物的单线态氧浓度随光解时间的图表，以可视化CDP、醌类化合物和蒽在光老化过程中的形成行为。此外，还提供了描述这些图表的MATLAB曲线拟合结果的文件。所有获得的数据均支持我的假设：在阳光照射、云水环境中，不完全燃烧的副产品多环芳烃（PAHs）可被氧化为光敏剂（能够吸收光能并激发至单线和三线态的化合物）。这些光敏剂可以参与自由基反应，形成单线态氧并催化羟基自由基，从而导致大气中过量的活性氧物种（ROS）。