Predicting reaction rate constants of organic compounds with oxidants in the atmospheric aqueous-phase through multi-task learning DOI

Linghao Gu,

Zhongming Chen

Atmospheric Environment, Год журнала: 2024, Номер 337, С. 120775 - 120775

Опубликована: Авг. 27, 2024

Язык: Английский

Comparison of aqueous secondary organic aerosol (aqSOA) product distributions from guaiacol oxidation by non-phenolic and phenolic methoxybenzaldehydes as photosensitizers in the absence and presence of ammonium nitrate DOI Creative Commons

Brix Raphael Go,

Yongjie Li, Dan Dan Huang

и другие.

Atmospheric chemistry and physics, Год журнала: 2023, Номер 23(4), С. 2859 - 2875

Опубликована: Март 2, 2023

Abstract. Aromatic carbonyls (e.g., methoxybenzaldehydes), an important class of photosensitizers, are abundant in the atmosphere. Photosensitization and nitrate-mediated photo-oxidation can occur simultaneously, yet studies about their interactions, particularly for aqueous secondary organic aerosol (aqSOA) formation, remain limited. This study compared non-phenolic (3,4-dimethoxybenzaldehyde, DMB) phenolic (vanillin, VL) methoxybenzaldehydes as photosensitizers aqSOA formation via guaiacol (GUA) oxidation absence presence ammonium nitrate (AN) under atmospherically relevant cloud fog conditions. GUA by triplet excited states DMB (3DMB∗) (GUA + was ∼ 4 times faster exhibited greater light absorption than 3VL∗ VL). Both VL formed composed oligomers, functionalized monomers, oxygenated ring-opening species, N-containing products AN. The observation N-heterocycles such imidazoles indicates participation reactions. majority generated comprises potential brown carbon (BrC) chromophores. Oligomerization functionalization dominated VL, but appeared to be more due contributions from itself. AN did not significantly affect kinetics, it had distinct effects on product distributions, likely differences photosensitizing abilities structural features VL. In particular, extensive fragmentation AN, increased oligomers may VL-derived phenoxy radicals induced ⚫OH or ⚫NO2 photolysis. Furthermore, nitrated observed both alone imply that photosensitized reactions promote nitration. work demonstrates how non-carbonyl phenol oxidation. Potential interactions between photosensitization photolysis were also elucidated. These findings facilitate a better understanding highlight importance these

Язык: Английский

Процитировано

26

Reactive Oxygen Species Formation and Peroxide and Carbonyl Decomposition in Aqueous Photolysis of Secondary Organic Aerosols DOI
Lena Gerritz, Jinlai Wei, Ting Fang

и другие.

Environmental Science & Technology, Год журнала: 2024, Номер 58(10), С. 4716 - 4726

Опубликована: Фев. 27, 2024

The mechanism and kinetics of reactive oxygen species (ROS) formation when atmospheric secondary organic aerosol (SOA) is exposed to solar radiation are poorly understood. In this study, we combined an in situ UV–vis irradiation system with electron paramagnetic resonance (EPR) spectroscopy characterize the photolytic ROS aqueous extracts SOA formed by oxidation isoprene, α-pinene, α-terpineol, toluene. We observed substantial free radicals, including •OH, superoxide (HO2•), radicals (R•/RO•) upon irradiation. Compared dark conditions, radical yield was enhanced a factor ∼30 for •OH 2–10 emergence radicals. Total peroxide measurements showed decreases contents after photoirradiation, indicating that peroxides can be important source A liquid chromatography interfaced high-resolution mass spectrometry used detect number form adducts spin trap, BMPO. types detected photolysis model compounds indicated carbonyls Norrish type I mechanisms plays role formation. serves as driving force cloud fog processing SOA.

Язык: Английский

Процитировано

12

Pollution characteristics, source appointment and environmental effect of oxygenated volatile organic compounds in Guangdong-Hong Kong-Macao Greater Bay Area: Implication for air quality management DOI

Guanyong Liu,

Xiaoyao Ma,

Wanying Li

и другие.

The Science of The Total Environment, Год журнала: 2024, Номер 919, С. 170836 - 170836

Опубликована: Фев. 10, 2024

Язык: Английский

Процитировано

11

Important yet Overlooked HONO Source from Aqueous-phase Photochemical Oxidation of Nitrophenols DOI

Wangjin Yang,

Hui Ji, Fu Li

и другие.

Environmental Science & Technology, Год журнала: 2024, Номер 58(35), С. 15722 - 15731

Опубликована: Авг. 23, 2024

Nitrites (NO

Язык: Английский

Процитировано

5

Photoenhanced Radical Formation in Aqueous Mixtures of Levoglucosan and Benzoquinone: Implications to Photochemical Aging of Biomass-Burning Organic Aerosols DOI Creative Commons
Lena Gerritz, Meredith Schervish, Pascale S. J. Lakey

и другие.

The Journal of Physical Chemistry A, Год журнала: 2023, Номер 127(24), С. 5209 - 5221

Опубликована: Июнь 7, 2023

The photochemical aging of biomass-burning organic aerosols (BBOAs) by exposure to sunlight changes the chemical composition over its atmospheric lifetime, affecting toxicological and climate-relevant properties BBOA particles. This study used electron paramagnetic resonance (EPR) spectroscopy with a spin-trapping agent, 5-tert-butoxycarbonyl-5-methyl-1-pyrroline-N-oxide (BMPO), high-resolution mass spectrometry, kinetic modeling photosensitized formation reactive oxygen species (ROS) free radicals in mixtures benzoquinone levoglucosan, known tracer molecules. EPR analysis irradiated solutions showed dominant hydroxyl (•OH), which are products reaction triplet-state water, also yielding semiquinone radicals. In addition, hydrogen (H•) were observed, not detected previous studies. They most likely generated decomposition irradiation levoglucosan led substantial carbon- oxygen-centered radicals, became prominent higher fraction levoglucosan. High-resolution spectrometry permitted direct observation BMPO-radical adducts demonstrated •OH, derived from oxidation Mass superoxide radical (BMPO-OOH) that did appear spectra. Kinetic processes successfully reproduced time evolution observed BMPO •OH H• EPR. model was then applied describe would occur absence BMPO, predicting generation HO2• due dissolved oxygen. These results imply photoirradiation containing photosensitizers induces ROS secondary chemistry drive atmosphere.

Язык: Английский

Процитировано

12

Sulfate Formation by Photosensitization in Mixed Incense Burning–Sodium Chloride Particles: Effects of RH, Light Intensity, and Aerosol Aging DOI
Rongzhi Tang, Ruifeng Zhang,

Jialiang Ma

и другие.

Environmental Science & Technology, Год журнала: 2023, Номер 57(28), С. 10295 - 10307

Опубликована: Июль 7, 2023

Elevated particulate sulfate concentrations have been frequently observed in coastal areas when air masses are influenced by continental emissions, especially combustion sources like biomass burning. We studied the SO2 uptake laboratory-generated droplets containing incense smoke extracts and sodium chloride (IS–NaCl) under irradiation found enhanced production over pure NaCl droplets, attributable to photosensitization induced constituents IS. Low relative humidity high light intensity facilitated formation increased coefficient IS–NaCl particles. Aging of IS particles further production, secondary oxidant promoted proportions nitrogen-containing CHN oxygen- CHON species air. Experiments using model compounds syringaldehyde, pyrazine, 4-nitroguaiacol verified enhancements formation. This work provides experimental evidence via triggered multiphase oxidation processes Our results can shed on possible interactions between sea salt burning aerosols enhancing production.

Язык: Английский

Процитировано

11

Formation of Artifacts from Simple Phenolic Compounds in SFC-UV-(HR)MS DOI
Eliise Tammekivi, Karine Faure

Analytical Chemistry, Год журнала: 2025, Номер unknown

Опубликована: Фев. 19, 2025

In this study, we present the formation of artifacts from simple phenolic compounds and derivatives in SFC-UV-MS analysis. These ions were detected only when UV detector was turned on, demonstrating that light is necessary for their formation. Based on high-resolution mass spectrometry (HRMS) analysis 21 standards negative electrospray ionization mode, annotated as where CO2 or NO2 had been added to molecular ion an lost a functional group. approximately half cases, MS signal artifact higher than ion. Although can complicate nontarget does not match with analyzed standard, demonstrated phenomenon aid structural identification isomers due specific ions. addition, overall increased which help detection low-abundance compounds, one compound─ anisole─ thanks artifact. Thus, aim article make researchers aware effect together advantages disadvantages

Язык: Английский

Процитировано

0

Spectroscopic characterization of phenol in frozen aqueous solution and on the ice surface DOI

Marie Garncarzová,

Lukáš Veselý, Bo‐Mi Kim

и другие.

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, Год журнала: 2025, Номер 335, С. 125948 - 125948

Опубликована: Фев. 22, 2025

Язык: Английский

Процитировано

0

Study on the kinetics and product characteristics of aqueous-phase oxidation of Eugenol and acetosyringone upon 254 nm/313 nm irradiation DOI

Zixuan Wang,

Zhaolian Ye,

Dandan Hu

и другие.

Air Quality Atmosphere & Health, Год журнала: 2025, Номер unknown

Опубликована: Март 1, 2025

Язык: Английский

Процитировано

0

The Photochemistry of Quinones and Combustion-derived Particles in Forming Hydroxyl Radicals and Singlet Oxygen in the Atmosphere DOI
Desiree J. Sarmiento, Brian J. Majestic

Atmospheric Environment, Год журнала: 2025, Номер unknown, С. 121189 - 121189

Опубликована: Март 1, 2025

Язык: Английский

Процитировано

0