Recognition and Health Impacts of Organic Pollutants with Significantly Different Proportions in the Gas Phase and Size-Fractionated Particulate Phase in Ambient Air

Abstract

The distributions of organic pollutants in the gas phase and size-fractionated particle phases can largely affect human health risks posed by them. Gas−particle partitioning and particlesize distributions of some known pollutants have been investigated. However, the pollutants which are more likely to enter the human body and cause strong adverse effects may be neglected. In this study, a nontargeted screening approach combining comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry and chemometrics was developed. Eighty-eight compounds with markedly different proportions in the gas phase and PM 1 , as well as 50 contaminants with significant differences in PM 1 and particles with diameters of 1−2.5 μm, were identified. Of these compounds, 18 were found in the air for the first time. There were obvious discrepancies between the measured and predicted gas−particle partitioning coefficients for some pollutants, suggesting unexpected environmental fates and health risks. The human daily intakes through inhalation and dermal exposure to these pollutants were estimated with the International Commission on Radiological Protection deposition model and transdermal permeability model. A risk-based prioritization was performed. The results indicated that adverse effects posed by 9H-fluoren-9-one, 2-ethylhexyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionate, p-cumenol, 2,4-diisocyanato-1-methyl-benzene, bis(2-ethylhexyl) phthalate, perylene, (E)-cinnamaldehyde, 4-methyl-2-nitro-phenol, benzoic acid, and bis(2-methylpropyl) ester hexanedioic acid in ambient air may be more severe than those posed by conventionally monitored pollutants. The findings would facilitate raising concerns about these pollutants before they cause further severe and widespread impacts.

Multilevel Screening Strategy to Identify the Hydrophobic Organic Components of Ambient PM2.5 Associated with Hepatocellular Steatosis

“…However, in vitro and in vivo tests are insufficient for evaluating extensive chemical data. Thus, an in silico ADME evaluation model was developed as an indispensable tool for screening compounds for drug design and identifying high-priority environmental pollutants. , To determine whether these compounds conferred bioactivity, the ADME properties were evaluated using ADMETlab 2.0 ( accessed on February 21, 2023) . It is commonly used for predicting the pharmacokinetics and toxic characteristics of various compounds and is based on the information on 288,967 compounds and 31 optimized quantitative structure–activity relationship models.…”

Higher Toxicity of Gaseous Organics Relative to Particulate Matters Emitted from Typical Cooking Processes

“…The toxicity prediction of these speciated organic compounds was achieved using ADMETlab 2.0 software with SMILES strings of chemicals based on QSPR models for carcinogenic and toxic respiratory effects . The response values of compounds for these two toxic effects were predicted and used to calculate the toxic equivalency factor (TEF). , The TEQ of each chemical was then evaluated through mass concentration ( C i , μg/mg PM 2.5 ) and TEF using the relationship TEQ i = TEF i × C i . The total TEQs of particulate and gaseous organics from cooking emissions were then calculated for carcinogenic and toxic respiratory effects.…”

“…44 The response values of compounds for these two toxic effects were predicted and used to calculate the toxic equivalency factor (TEF). 45,46 The TEQ of each chemical was then evaluated through mass concentration (C i , μg/mg PM 2.5 ) and TEF using the relationship TEQ i = TEF i × C i . The total TEQs of particulate and gaseous organics from cooking emissions were then calculated for carcinogenic and toxic respiratory effects.…”

The High Pressure Inside Aerosol Particles Enhances Photochemical Reactions of Biomass Burning Compounds

“…Fine aerosols (i.e., with an aerodynamic diameter of less than 1 μm) are ubiquitous in the atmosphere. They are known to have adverse health effects, 1,2 and impact climate, 3 notably by diffusing and/or absorbing solar radiation. 4−6 Atmospheric particles may also act as cloud condensation nuclei (CCN), and hence affect cloud formation.…”

“…Fine aerosols (i.e., with an aerodynamic diameter of less than 1 μm) are ubiquitous in the atmosphere. They are known to have adverse health effects, , and impact climate, notably by diffusing and/or absorbing solar radiation. − Atmospheric particles may also act as cloud condensation nuclei (CCN), and hence affect cloud formation. , They originate from a large variety of sources, including industrial emissions, vehicular exhaust, volcanic plumes, woodlands, , biomass burning, , and from the oxidation of volatile organic compounds, which remains the most abundant source of fine particles. , …”