Oxidation Mechanism and Toxicity Evolution of Linalool, a Typical Indoor Volatile Chemical Product DOI Creative Commons

Zihao Fu,

Song Guo, Ying Yu

et al.

Environment & Health, Journal Year: 2024, Volume and Issue: 2(7), P. 486 - 498

Published: April 2, 2024

Linalool, a high-reactivity volatile chemical product (VCP) commonly found in cleaning products and disinfectants, is increasingly recognized as an emerging contaminant, especially indoor air. Understanding the gas-phase oxidation mechanism of linalool crucial for assessing its impact on atmospheric chemistry human health. Using quantum calculations computational toxicology simulations, we investigated transformation toxicity evolution under low high NO/HO2· levels, representing outdoor environments. Our findings reveal that can undergo novel mechanisms involving concerted peroxy (RO2·) alkoxy radical (RO·) modulated autoxidation, particularly emphasizing importance cyclization reactions indoors. This expands widely known RO2·-dominated H-shift-driven autoxidation proposes generalized leads to formation low-volatility secondary organic aerosol (SOA) precursors. Toxicological analysis shows over half (TPs) exhibited higher carcinogenicity respiratory compared linalool. We also propose time-dependent toxic effects TPs assess their long-term toxicity. results indicate strong emission coupled with slow consumption rates lead significant health risks environment. The highlight complex air concerns regarding persistent during cleaning, which involves use or other VCPs.

Language: Английский

Full-volatility emission framework corrects missing and underestimated secondary organic aerosol sources DOI Creative Commons
Xing Chang, Bin Zhao, Haotian Zheng

et al.

One Earth, Journal Year: 2022, Volume and Issue: 5(4), P. 403 - 412

Published: April 1, 2022

Language: Английский

Citations

120

Secondary organic aerosols from anthropogenic volatile organic compounds contribute substantially to air pollution mortality DOI Creative Commons
Benjamin A. Nault, Duseong S. Jo, Brian McDonald

et al.

Atmospheric chemistry and physics, Journal Year: 2021, Volume and Issue: 21(14), P. 11201 - 11224

Published: July 27, 2021

Abstract. Anthropogenic secondary organic aerosol (ASOA), formed from anthropogenic emissions of compounds, constitutes a substantial fraction the mass submicron in populated areas around world and contributes to poor air quality premature mortality. However, precursor sources ASOA are poorly understood, there large uncertainties health benefits that might accrue reducing emissions. We show production 11 urban on three continents is strongly correlated with reactivity specific volatile compounds. The differences across different cities can be explained by aromatics intermediate- semi-volatile indicating importance controlling these precursors. With an improved model representation driven observations, we attribute 340 000 PM2.5-related deaths per year ASOA, which over order magnitude higher than prior studies. A sensitivity case more recently proposed for attributing mortality PM2.5 (the Global Exposure Mortality Model) results up 900 deaths. limitation this study extrapolation detailed studies regions where emission inventories available other larger. In addition further development institutional management infrastructure, comprehensive campaigns countries South Central America, Africa, Asia, Middle East needed progress area.

Language: Английский

Citations

116

The HTAP_v3 emission mosaic: merging regional and global monthly emissions (2000–2018) to support air quality modelling and policies DOI Creative Commons

Monica Crippa,

Diego Guizzardi, Tim Butler

et al.

Earth system science data, Journal Year: 2023, Volume and Issue: 15(6), P. 2667 - 2694

Published: June 29, 2023

This study, performed under the umbrella of Task Force on Hemispheric Transport Air Pollution (TF-HTAP), responds to global and regional atmospheric modelling community's need a mosaic emission inventory air pollutants that conforms specific requirements: coverage, long time series, spatially distributed emissions with high resolution, sectoral resolution. The approach integrating official inventories based locally reported data, globally consistent methodology, allows modellers perform simulations scientific quality while also ensuring results remain relevant policymakers. HTAP_v3, an ad hoc anthropogenic inventories, has been developed by over areas (North America, Europe, Asia including Japan South Korea) independent Emissions Database for Global Atmospheric Research (EDGAR) remaining world regions. are temporally SO

Language: Английский

Citations

97

2002–2017 anthropogenic emissions data for air quality modeling over the United States DOI Creative Commons
Kristen M. Foley, George Pouliot,

Alison Eyth

et al.

Data in Brief, Journal Year: 2023, Volume and Issue: 47, P. 109022 - 109022

Published: March 2, 2023

The United States Environmental Protection Agency (US EPA) has developed a set of annual North American emissions data for multiple air pollutants across 18 broad source categories 2002 through 2017. sixteen new inventories were using consistent input and methods all years. When method or tool was not available category, estimated by scaling from the EPA's 2017 National Emissions Inventory with factors based on activity and/or control information. datasets are designed to support regional quality modeling wide variety human health ecological applications. simulations Community Multiscale Air Quality model but can also be used other scale models. one component Time Series Project which includes inputs (meteorology, initial conditions, boundary conditions) outputs (e.g., ozone, PM2.5 constituent species, wet dry deposition) Conterminous US at 12 km horizontal grid spacing.

Language: Английский

Citations

70

Volatile organic compounds: A threat to the environment and health hazards to living organisms – A review DOI
Anju Mangotra, S. K. Singh

Journal of Biotechnology, Journal Year: 2024, Volume and Issue: 382, P. 51 - 69

Published: Jan. 17, 2024

Language: Английский

Citations

53

Reactive organic carbon emissions from volatile chemical products DOI Creative Commons
Karl M. Seltzer, Elyse A. Pennington, Venkatesh Rao

et al.

Atmospheric chemistry and physics, Journal Year: 2021, Volume and Issue: 21(6), P. 5079 - 5100

Published: March 31, 2021

Volatile chemical products (VCPs) are an increasingly important source of anthropogenic reactive organic carbon (ROC) emissions. Among these sources everyday items, such as personal care products, general cleaners, architectural coatings, pesticides, adhesives, and printing inks. Here, we develop VCPy, a new framework to model emissions from VCPs throughout the United States, including spatial allocation regional local scales. Evaporation species VCP mixture in VCPy is function compound-specific physiochemical properties that govern volatilization timescale relevant for product evaporation. We introduce two terms describe processes: evaporation use timescale. Using this framework, predicted national per capita 9.5 kg person year (6.4 C year) 2016, which translates 3.05 Tg (2.06 C), making dominant States. Uncertainty associated with sensitivity select parameters were characterized through Monte Carlo analysis, resulting 95 % confidence interval 2016 2.61-3.53 (1.76-2.38 C). This nationwide total broadly consistent U.S. EPA's 2017 National Emission Inventory (NEI); however, county-level categorical estimates can differ substantially NEI values. predicts higher than approximately half all counties, 5 counties having greater 55 Categorically, application yields (150 %) paints coatings (25 when compared NEI, whereas pesticides (-54 inks (-13 feature lower An observational evaluation indicates key reproduced high fidelity using (normalized mean bias -13 r =0.95). Sector-wide, effective secondary aerosol yield maximum incremental reactivity 5.3 by mass 1.58 gO3 g-1, respectively, indicating important, likely date underrepresented, pollution urban environments.

Language: Английский

Citations

88

Modeling secondary organic aerosol formation from volatile chemical products DOI Creative Commons
Elyse A. Pennington, Karl M. Seltzer, Benjamin N. Murphy

et al.

Atmospheric chemistry and physics, Journal Year: 2021, Volume and Issue: 21(24), P. 18247 - 18261

Published: Dec. 16, 2021

Volatile chemical products (VCPs) are commonly-used consumer and industrial items that an important source of anthropogenic emissions. Organic compounds from VCPs evaporate on atmospherically relevant time scales include many species secondary organic aerosol (SOA) precursors. However, the chemistry leading to SOA, particularly intermediate volatility (IVOCs), has not been fully represented in regional-scale models such as Community Multiscale Air Quality (CMAQ) model, which tend underpredict SOA concentrations urban areas. Here we develop a model represent formation VCP The incorporates new emissions inventory employs three classes emissions: siloxanes, oxygenated IVOCs, nonoxygenated IVOCs. estimated produce 1.67 μg m-3 noontime doubling current predictions reducing mass concentration bias -75% -58% when compared observations Los Angeles 2010. While emitted similar quantities, is dominated by Formaldehyde show relationships temperature signatures indicating common sources and/or chemistry. This work suggests contribute up half must better precursors predict enhancement SOA.

Language: Английский

Citations

77

Volatile Chemical Product Enhancements to Criteria Pollutants in the United States DOI Creative Commons
Karl M. Seltzer, Benjamin N. Murphy, Elyse A. Pennington

et al.

Environmental Science & Technology, Journal Year: 2021, Volume and Issue: 56(11), P. 6905 - 6913

Published: Nov. 15, 2021

Volatile chemical products (VCPs) are a significant source of reactive organic carbon emissions in the United States with substantial fraction (>20% by mass) serving as secondary aerosol (SOA) precursors. Here, we incorporate new nationwide VCP inventory into Community Multiscale Air Quality (CMAQ) model VCP-specific updates to better air quality impacts. Model results indicate that VCPs mostly enhance anthropogenic SOA densely populated areas population-weighted annual average increasing 15–30% Southern California and New York City due (contribution 0.2–0.5 μg m–3). Annually, total PM2.5 ∼5% California, ∼3% York, Jersey, Connecticut, 1–2% most other states. While maximum daily 8 h ozone enhancements from more modest, their influence can cause several ppb increase on select days major cities. Printing Inks, Cleaning Products, Paints Coatings product use categories contribute ∼75% modeled VCP-derived Coatings, Personal Care Products ∼81% ozone. Overall, multiple criteria pollutants throughout largest impacts urban cores.

Language: Английский

Citations

61

Human-Health Impacts of Controlling Secondary Air Pollution Precursors DOI
Havala O. T. Pye, K. Wyat Appel, Karl M. Seltzer

et al.

Environmental Science & Technology Letters, Journal Year: 2022, Volume and Issue: 9(2), P. 96 - 101

Published: Jan. 10, 2022

Exposure to ozone and fine particle (PM2.5) air pollution results in premature death. These pollutants are predominantly secondary nature can form from nitrogen oxides (NOX), sulfur (SOX), volatile organic compounds (VOCs). Predicted health benefits for emission reduction scenarios often incompletely account VOCs as precursors well the aerosol (SOA) component of PM2.5. Here, we show that anthropogenic VOC reductions more than twice effective equivalent fractional SOX or NOX at reducing pollution-associated cardiorespiratory mortality United States. A 25% emissions 2016 levels is predicted avoid 13,000 deaths per year, most (85%) VOC-reduction result reduced SOA with remainder ozone. While (-5.7 ± 0.2 % yr-1) (-12 1 have declined precipitously across U.S. since 2002, (-1.8 0.3 concentrations non-methane carbon (-2.4 1.0 changed less. This work indicates preferentially controlling could yield significant human health.

Language: Английский

Citations

52

Linking gas, particulate, and toxic endpoints to air emissions in the Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMM) DOI Creative Commons
Havala O. T. Pye, Bryan K. Place, Benjamin N. Murphy

et al.

Atmospheric chemistry and physics, Journal Year: 2023, Volume and Issue: 23(9), P. 5043 - 5099

Published: May 4, 2023

Abstract. Chemical mechanisms describe the atmospheric transformations of organic and inorganic species connect air emissions to secondary such as ozone, fine particles, hazardous pollutants (HAPs) like formaldehyde. Recent advances in our understanding several chemical systems shifts drivers chemistry warrant updates used transport models Community Multiscale Air Quality (CMAQ) modeling system. This work builds on Regional Atmospheric Chemistry Mechanism version 2 (RACM2) develops Multiphase (CRACMM) 1.0, which demonstrates a fully coupled representation leading ozone aerosol (SOA) with consideration HAPs. CRACMMv1.0 includes 178 gas-phase species, 51 particulate 508 reactions spanning heterogeneous pathways. To support estimation health risks associated HAPs, nine CRACMM cover 50 % total cancer 60 non-cancer emission-weighted toxicity estimated for primary HAPs from anthropogenic biomass burning sources US, coverage higher (> 80 %) when formaldehyde acrolein are considered. In addition, new mechanism were added based importance their aerosol, or burden reactive carbon (ROC): sesquiterpenes, furans, propylene glycol, alkane-like low- intermediate-volatility compounds (9 species), oxygenated (16 aromatic hydrocarbons (2 slowly reacting carbon. Intermediate- lower-volatility increase ROC by 40 compared current operational mechanisms. Autoxidation, reaction particularly effective producing SOA, was C10 larger alkanes, hydrocarbons, monoterpene including second-generation aldehydes. Integrating radical SOA put additional constraints both enabled implementation previously unconsidered pathways phenolic furanone compounds, predicted account ∼ 30 hydrocarbon under typical conditions. found span atmospherically relevant range number, number oxygens per carbon, oxidation state slight high bias hydrogens total, 11 emitted implemented precursors CMAQv5.3.3 representations, resulting bottom-up prediction is required accurate source attribution design control strategies. available CMAQv5.4.

Language: Английский

Citations

41