Ring Polycyclic Aromatic Hydrocarbons Research Articles

Appraisal of polycyclic aromatic hydrocarbons (PAHs) in indoor dust of Eastern Nigeria and its implications in the COVID-19 years

The risk assessment of PAHs in settled indoor dusts from different localities of Awka, Ekwulobia, and Rumuodomaya–Ogale, Eastern Nigeria, were investigated. Settled dust samples (n = 144) were collected from the windows and floor using brush and analyzed for PAHs with GC- FID. Dust from the windows showed higher total PAHs concentrations than the floor in the order; Rumuodomaya–Ogale > Ekwulobia > Awka. The 3- and 4-ring PAHs were dominant in the window and floor dust of Awka in all the months, while the 3-ring PAHs were the dominant compound in Ekwulobia. The concentrations of total PAH in the window and floor dusts of Ekwulobia, showed a significant difference across the months (p < 0.05). In Rumuodomaya–Ogale, the 3, 4, and 5-ring PAHs supersede in the window and floor dust. This showed that dust is a major sink for 3–5-ring PAHs. The compounds; BaA, DahA, Ant, BaP, and DBA were the major contributors to benzo(a)pyrene as toxicity equivalence (BaPTEQ) values of the window and floor dust. The total incremental life cancer risk was < 1.0 × 10−04 in all the study area; hence, the increased indoor activities during COVID-19 lockdown had no significant cancer effect on human health of the populace.

Can environmental factors increase oxidative responses in fish exposed to polycyclic aromatic hydrocarbons (PAHs)?

Relations among polycyclic aromatic hydrocarbons (PAHs), biomarkers of oxidative stress (lipid peroxidation, glutathione, and glutathione S-transferase activity), and the possible influence of environmental factors (temperature, pH, and salinity) were assessed in situ for specimens of Ramnogaster arcuata, a native estuarine fish. PAH levels found in the muscular tissue of R. arcuata ranged from 0.7 to 293.4 ng g−1 wet weight with petrogenic and pyrolytic inputs. Lipid peroxidation in the liver showed positive correlations (P < 0.05) with total PAHs (r = 0.66), 3-ring (r = 0.66) and 4-ring PAHs (r = 0.52) and glutathione in muscle (r = 0.58). Significant positive correlations (P < 0.05) were also evidenced between muscular glutathione with total (r = 0.62) and 3-ring PAHs (r = 0.75). Hepatic glutathione S-transferase negatively correlated with 4-ring PAHs (r = −0.58). These correlations suggest that lipid peroxidation and muscular glutathione could be good biomarkers for complex mixtures of PAHs, and hepatic glutathione S-transferase could be a suitable biomarker for 4-ring PAHs. Furthermore, significant correlations (P < 0.05) of environmental factors with PAH levels and biomarkers were observed, especially pH with 3-ring PAHs (r = −0.65), lipid peroxidation (r = −0.6), glutathione in the liver (r = −0.73) and muscle (r = −0.75); and temperature with 2-ring PAHs (r = −0.75) and glutathione in muscle (r = 0.51). The data suggest an influence of physicochemical parameters which could be driving a shift in PAH toxicity in R. arcuata. These results are essential for an integrated understanding of ecotoxicology and could help to predict environmental effects in present and future scenarios of ocean warming and acidification.

Distribution Characteristics and Pollution Sources Analysis of Polycyclic Aromatic Hydrocarbons and Phthalate Esters in the Seawater of Land-Based Outlets around Zhanjiang Bay in Spring

This study analyzed the distribution characteristics and sources of pollutants in the coastal estuaries of Zhanjiang Bay (ZJB) to provide theoretical and data support for the scientific prevention and control of bay pollution. Monitoring data from eight rivers and flood drains flowing into ZJB in March 2021 were used to analyze the composition and spatial distribution characteristics of polycyclic aromatic hydrocarbons (PAHs) and phthalate esters (PAEs) in the water bodies of the bay. The dominant components in the eight rivers and flood drains were 3–4-ring PAHs, with Bis (2-ethylhexyl) phthalate (DEHP), Diisobutyl phthalate (DIBP), and Dibutyl-O-phthalate (DBP) being the main PAE compounds. Higher pollutant levels were observed in residential areas, aquaculture zones, and industrial areas. Eigen-ratio analysis and principal component analysis were used to identify pollution sources, including atmospheric inputs (coal, petroleum products, biomass combustion products), offshore petroleum pollution, and plastic pollution sources. The assessment showed that atmospheric inputs contributed to 89.75% of the total PAHs in the bay, with coal and biomass combustion accounting for 62.12% and petroleum fuel combustion accounting for 27.63%. The content of ΣPAEs ranged from 588.43 to 1427.26 ng·L−1, with a mean value of 906.59 ng·L−1, which is at a low to medium level compared to other regions of China and abroad, indicating a medium-low level of pollution risk. The results of this study have important implications for guiding urban development, adjusting energy consumption structures, and planning pollution prevention and control measures in ZJB.

Lichen biomonitoring to assess spatial variability, potential sources and human health risks of polycyclic aromatic hydrocarbons (PAHs) and airborne metal concentrations in Manchester (UK)

Airborne metals and organic pollutants are linked to severe human health impacts, i.e. affecting the nervous system and being associated with cancer. Airborne metals and polycyclic aromatic hydrocarbons (PAHs) in urban environments are derived from diverse sources, including combustion and industrial and vehicular emissions, posing a threat to air quality and subsequently human health. A lichen biomonitoring approach was used to assess spatial variability of airborne metals and PAHs, identify potential pollution sources and assess human health risks across the City of Manchester (UK). Metal concentrations recorded in lichen samples were highest within the city centre area and along the major road network, and lichen PAH profiles were dominated by 4-ring PAHs (189.82 ng g−1 in Xanthoria parietina), with 5- and 6-ring PAHs also contributing to the overall PAH profile. Cluster analysis and pollution index factor (PIF) calculations for lichen-derived metal concentrations suggested deteriorated air quality being primarily linked to vehicular emissions. Comparably, PAH diagnostic ratios identified vehicular sources as a primary cause of PAH pollution across Manchester. However, local more complex sources (e.g. industrial emissions) were further identified. Human health risk assessment found a “moderate” risk for adults and children by airborne potential harmful element (PHEs) concentrations, whereas PAH exposure in Manchester is potentially linked to 1455 (ILCR = 1.45 × 10−3) cancer cases (in 1,000,000). Findings of this study indicate that an easy-to-use lichen biomonitoring approach can aid to identify hotspots of impaired air quality and potential human health impacts by airborne metals and PAHs across an urban environment, particularly at locations that are not continuously covered by (non-)automated air quality measurement programmes.Graphical

Historical trend of polycyclic aromatic hydrocarbons in a sediment core from Osaka Bay during the Meghalayan

Polycyclic aromatic hydrocarbons (PAHs) are produced by incomplete combustion of biomass and fossil fuel, yet PAHs have been rarely analyzed in coastal sediment cores as a tracer for human activities before industrialization. The aim of this study was to assess if the historical trend of PAHs can be related to past human activities. To this end, we have determined the concentrations of PAHs in a 9 m-long sediment core from Osaka Bay, which records history of the last 2400 years. The concentration of PAHs before the beginning of the 17th century CE, the beginning of the peaceful Edo period, was consistently low (&lt;100 ng g−1) and mainly comprised of smoke-derived PAHs reflecting the natural background. A relative higher abundance of 4−6 ring PAHs from the early 17th century CE and a higher PAH concentration from the early 18th century CE until approximately 1800 CE agreed with a population increase, Cu smelting activities and increasing combustion of charcoal. The constant PAH concentration until the late 19th century CE overlapped with a decline in the population in the Osaka area. An increasing PAH concentration from the late 19th century CE marked the beginning of industrialization in the Modern age. The peak in PAH concentration in 1945 CE was likely caused by burning of wooden structures due to air raids on Osaka City. A second peak around 1980 CE indicated the introduction of cleaner energies. We conclude that PAHs in coastal sediment cores can be used to reconstruct past human activities.

Spatial-temporal Distribution and Source Analysis of Polycyclic Aromatic Hydrocarbons in the Sediments of Poyang Lake

The concentrations, spatial-temporal distribution, and influencing factors of 16 polycyclic aromatic hydrocarbons (PAHs) in the sediments of Poyang Lake were studied, and a quantitative source analysis of PAHs in different areas of the lake was conducted. PAHs were widespread within the sediments. The concentrations of ∑16PAHs in the surface sediments of all sites ranged from 203 to 2 318 μg·kg-1. The concentrations of PAHs in the surface sediments of the lake body were higher than those in the surface sediments of the inlet rivers. The ratio of PAHs in Poyang Lake was 4 rings > 5 rings > 6 rings > 3 rings > 2 rings; the composition of 4-ring PAHs was dominant, and its content accounted for 86.11% of ∑16PAHs. The 2- and 3-ring and some 4-ring PAHs, including Flua and Pyr, were more susceptible to SOM, and the 4 through 6-ring PAHs were more susceptible to ORP and heavy metals and other environmental factors. Spatially, the higher concentration of ∑16PAHs occurred in the area of the lake adjacent to Duchang County and Poyang County, where the terrain was relatively closed, and the water exchange with the surrounding area was less than that in other sections, which was not conducive to the migration, transformation, and degradation of pollutants. In the temporal distribution, the changes in PAHs concentration level and the development of GDP in Jiangxi Province showed high consistency, and the influence of economic development and human activities might have been the main reason for the increasing PAHs concentration level. The main sources of PAHs in surface sediments of Poyang Lake included petroleum pollution and oil and coal and biomass combustion sources, and there were some spatial differences in PAHs sources in different regions. This study can provide a reference for PAHs pollution in surface sediments of Poyang Lake, which is important for the ecological environmental protection and management of Poyang Lake.

Greenery planning for urban air pollution control based on biomonitoring potential: Explicit emphasis on foliar accumulation of particulate matter (PM) and polycyclic aromatic hydrocarbons (PAHs)

In this study, efficiencies of eight indigenous plants of Baishnabghata Patuli Township (BPT), southeast Kolkata, India, were explored as green barrier species and potentials of plant leaves were exploited for biomonitoring of particulate matter (PM) and polycyclic aromatic hydrocarbons (PAHs). The present work focused on studying PM capturing abilities (539.32−2766.27 μg cm−2) of plants (T. divaricata, N. oleander and B. acuminata being the most efficient species in retaining PM) along with the estimation of foliar contents of PM adhered to leaf surfaces (total sPM (large + coarse): 526.59−2731.76 μg cm−2) and embedded within waxes (total wPM (large + coarse): 8.73−34.51 μg cm−2). SEM imaging used to analyse leaf surfaces affirmed the presence of innate corrugated microstructures as main drivers for particle capture. Accumulation capacities of PAHs of vehicular origin (total index, TI > 4) were compared among the species based on measured concentrations (159.92−393.01 μg g−1) which indicated T. divaricata, P. alba and N. cadamba as highest PAHs accumulators. Specific leaf area (SLA) of plants (71.01−376.79 cm2 g−1), a measure of canopy−atmosphere interface, had great relevance in PAHs diffusion. Relative contribution (>90%) of 4–6 ring PAHs to total carcinogenic equivalent and potential as well as 5−6 ring PAHs to total mutagenic equivalent and potential had also been viewed with respect to benzo[a]pyrene. In−depth analysis of foliar traits and adoption of plant−based ranking strategies (air pollution tolerance index (APTI) and anticipated performance index (API)) provided a rationale for green belting. Each of the naturally selected plant species showed evidences of adaptations during abiotic stress to maximize survival and filtering effects for reductive elimination of ambient PM and PAHs, allowing holistic management of green spaces.

Distribution, sources and health risk assessment of polycyclic aromatic hydrocarbons in urban soils under different landform conditions of Taiyuan, China

Public concern about polycyclic aromatic hydrocarbons (PAHs) is rising due to their potential carcinogenic, teratogenic, and mutagenic effects. This study assessed PAHs in Taiyuan City’s plain and mountain soil, investigating concentrations, distribution, sources, and carcinogenic risk. Σ21PAHs concentrations in plain topsoil ranged from 133.2 to 6,410.6 ng/g (mean 1,444.7 ng/g), and in mountain soil from 66.5 to 2,250.2 ng/g (mean 585.5 ng/g). Approximately 55.1% of plain and 19.0% of mountain soil samples had contamination levels exceeding 600 ng/g. In plain soil, 4-ring and 5-ring PAHs dominated, while 2-ring and 3-ring PAHs were prevalent in mountain soil. Polluted areas in Taiyuan were primarily centered in the central-north, with higher content closer to industrial or business districts. PAH isomer ratios and principal component analysis/multiple linear regression (PCA/MLR) indicated coal combustion as the main PAH source, followed by coke production, vehicle emissions, and biomass combustion. Incremental lifetime cancer risks (ILCRs) showed Taiyuan’s PAH-related cancer risks were generally low, though heavily contaminated areas exhibited moderate risks. Plain regions had three times higher cancer risk than mountains, with children facing higher risk than adults. These findings highlight the need to consider PAH pollution while enhancing urban environmental quality.

Occurrence and ecological risk of PAHs in urban road runoff in Beijing.

The occurrence and ecological risks of 16 polycyclic aromatic hydrocarbons (PAHs) in different types of urban road runoff in Beijing during two typical rainfall events were studied. The average concentration of PAHs in road runoff particulate was in the order of Guanyuanqiao Road (ring road, 15,175 ng/L) > Huayuanqiao Road (primary road, 4,792 ng/L) > Dongcheng Alley (alley, 4,774 ng/L) > Nansihuan Viaduct (viaduct, 770 ng/L), much higher than dissolved PAHs. The total concentration of ∑16PAHs decreased with runoff scouring. Rainfall conditions and the accumulation of PAHs in the early rainfall period show a significant impact on PAHs pollution. The event mean concentration range of PAHs is 674-21,596 ng/L, following in the order of ring road > primary road > alley > viaduct. The proportion of four-ring PAHs was the highest. The first flush effect of PAHs is found in both rainfall events, and the effect of different ring PAHs is relatively similar. The content of PAHs is positively correlated with the amount of total organic carbon and suspended substance in runoff (r2> 0.72). The ecological risk assessment indicated that PAHs in road runoff except viaduct road corresponded to high risk.

Air-soil cycling of oxygenated, nitrated and parent polycyclic aromatic hydrocarbons in source and receptor areas

Polycyclic aromatic hydrocarbons (PAHs) and their oxygenated and nitrated derivatives, OPAHs and NPAHs, are semivolatile air pollutants which are distributed and cycling regionally. Subsequent to atmospheric deposition to and accumulation in soils they may re-volatilise, a secondary source which is understudied.We studied the direction of air-soil mass exchange fluxes of 12 OPAHs, 17 NPAHs, 25 PAHs and one alkylated PAH in two rural environments being influenced by the pollutant concentrations in soil and air, by season, and by land cover. The OPAHs and NPAHs in samples of topsoil, of ambient air particulate and gas phases and in the gas-phase equilibrated with soil were analysed by GC-APCI-MS/MS. The pollutants soil burdens show a pronounced seasonality, a winter maximum for NPAHs and PAHs and a summer maximum for OPAHs. One order of magnitude more OPAH and parent PAH are found stored in forest soil than in nearby grassland soil. Among a number of 3–4 ring PAHs, the OPAHs benzanthrone and 6H-benzo(c,d)pyren-6-one, and the NPAHs 1- and 2-nitronaphthalene, 9-nitrophenanthrene and 7-nitrobenz(a)anthracene are found to re-volatilise from soils at a rural background site in central Europe in summer. At a receptor site in northern Europe, net deposition of polycyclic aromatic compounds (PACs) prevails and re-volatilisation occurs only sporadic.Re-volatilisation of a number of PACs, including strong mutagens, from soils in summer and even in winter indicates that long-range atmospheric transport of primary PAC emissions from central Europe to receptor areas might be enhanced by secondary emissions from soils.

Distribution, sources, partition behavior and risk assessment of polycyclic aromatic hydrocarbons (PAHs) in the waters and sediments of Lake Ulansuhai, China

This study represents the first comprehensive investigation of 16 polycyclic aromatic hydrocarbons (PAHs) in the waters and sediments of Lake Ulansuhai. It explores their occurrence, sources, transport behavior, and associated risks to human health and ecosystems. The results revealed that concentrations of ∑PAHs in dissolved phase and sediment with no significant seasonal differences. In contrast, ∑PAHs concentrations in suspended particulate matter were significantly higher during the ice-free period compared to the ice period. Spatially, the northern part of Lake Ulansuhai displayed higher PAHs content. Diagnostic isomeric ratios and PMF models indicated that the PAHs were primarily derived from combustion sources. The distribution of PAHs within water-sediment demonstrated that non-equilibrium status. Fugacity calculations indicated that 2–4 rings PAHs acted as secondary sources of sediment emissions. Toxicity assessment, indicated that PAHs posed no significant carcinogenic risk to humans. Risk quotient values showed that PAHs as low to high ecological risk.

A method for measuring the bioaccessibility of polycyclic aromatic hydrocarbons in cell culture media

Airborne polycyclic aromatic hydrocarbons (PAHs) and their derivatives are of particular concern for population health due to their abundance and toxicity via inhalation. Lung toxicity testing includes exposing lung epithelial cell lines to PAHs in a culture medium containing inorganic species, lipids, proteins, and other biochemicals where the cell response is influenced among others by the toxic chemical accessibility in the medium. While inhalation bioaccessibility of PAHs and other toxicants was previously studied in surrogate lung fluids, studies measuring bioaccessibility in cell culture media are rare. In this work, a method was developed to characterize PAH bioaccessibility in a culture medium used for mouse lung epithelial (FE1) cells. Further, the optimised method was tested using commercially available standard reference material of urban particulate matter (PM) as well as polyurethane foam passive air samplers (PUF-PAS). The method provided a high precision and recovery of analytes, indicating no losses during sample processing and analysis. PAHs had non-linear concentration-responses, with the culture medium approaching saturation with PM concentration of 500 μg mL−1. The results showed that phenanthrene, a 3-ring PAH, was significantly more bioaccessible than ≥4-ring congeners in the culture medium (up to ∼2.5 folds; p < 0.05). Finally, using pre-deployed PUF-PAS from a residential and an industrial site, five PAHs were found in the culture medium, including naphthalene, phenanthrene, anthracene, fluoranthene, and pyrene. This work provides a proof of concept to enable future studies to assess the inhalation bioaccessibility of polycyclic aromatic compounds and other airborne pollutants collected using PUF-PAS.

Polycyclic aromatic hydrocarbons (PAHs) in the surficial sediments of the Abadan freshwater resources − Northwest of the Persian Gulf

This research focused on investigating the contamination levels, sources, and potential ecological and human health risks associated with 16 polycyclic aromatic hydrocarbons (PAHs) present in surficial sediments of the Abadan freshwater resources in the northwest of the Persian Gulf. The concentrations of ∑16PAHs varied between 67.8 and 57,748 ng/g with an average of 8222 ng/g. Approximately 30 % of the ∑16PAHs were attributed to seven carcinogenic PAHs. The predominant components of the PAHs found in the sediments were the 3- and 4-ring PAHs, which accounted for approximately 63 % of the total PAHs present in the surficial sediments. The diagnostic ratios and principal component analysis (PCA) indicate that the PAHs detected in the sediments originated from various sources, including traffic emissions, coal, and biomass combustion, petroleum leakage, and wastewater. According to our ecological risk assessment, substantial harm to the biota was observed in the Arvand River. An assessment of cancer risk indicated that both adults and children in Abadan area are exposed to a considerable cancer risk due to the presence of PAHs. In conclusion, ongoing monitoring of PAH pollution and implement measures to protect freshwater ecosystems near the Persian Gulf are essential.

Research on Pollutant Emission Characteristics of Typical Biomass-fired Boilers

The combustion of biomass fuel boilers not only produces inorganic pollutants such as carbon oxides, nitrogen oxides, sulfur compounds, but also organic pollutants such as VOCs and PAHs, which directly affect the global biogeochemical cycle and atmospheric changes. Compared with foreign countries, there is relatively less research and related standards on the emission of organic pollutants from biomass fuel boilers in China. Therefore, it is necessary to study the emission characteristics of organic pollutants from biomass boilers, which can provide reference for the establishment of organic pollutant emission standards for biomass fuel boilers in China.The emission characteristics of volatile organic compounds(VOCs) and polycyclic aromatic hydrocarbons(PAHs) organic pollutants in the flue gas of three typical biomass-fired boilers in Chongqing were studied, and the emission concentrations of particulate matter, sulfur dioxides(SO2), and nitrogen oxides(NOX) were measured.The results show that the sulfur dioxide emissions from the three types of biomass-fired boilersrs are lower than the local standards in Chongqing, while nitrogen oxides and particulate matter have a phenomenon of exceeding the emission limits of the local standards in Chongqing. The main components of VOCs emitted from biomass powder and biomass particle combustion are OVOCs and aromatic hydrocarbons, while the main components of VOCs emitted from wood biomass combustion are alkynes. The gas-solid distribution pattern of PAHs during the combustion of three types of biomass is basically consistent. Low ring PAHs are mainly enriched in the gas phase, while medium and high ring PAHs are mainly enriched in particulate matter.

Does mangrove leave falling dominate the bury of polycyclic aromatic hydrocarbons in the mangrove of China?

Mangrove wetlands are vital coastal ecosystems that can absorb and accumulate pollutants. Polycyclic aromatic hydrocarbons (PAHs) are persistent organic pollutants that pose potential risks to ecosystems and human health. However, their source and transport fate in mangrove areas are poorly understood. This study investigates 29 PAHs pollution of water and sediment in Zhangjiangkou Mangrove Wetland, the northernmost large-scale mangrove wetland reserve in China. We examine the distribution, source, transport mechanisms and risk assessment of PAHs. The results show that the concentrations of PAHs in mangrove sediment range from 55.62 to 347.36 ng/g (DW), with 5-ring PAHs being the dominant species. While the concentrations of PAHs in surface water range from 10.61 to 46.39 ng/L, with 2-ring PAHs and alkylated PAHs being the dominant species. The PAHs concentrations in surface water and sediment of river are higher than those in mangrove area, indicating that mangrove water could receive PAHs through tidal exchange. Based on diagnostic ratios (DRs), principal component analysis (PCA), and positive matrix factorization (PMF), we infer that the leaf deposition (48.55%) could be an important pathway of PAHs in mangrove sediment except for river water transport (51.45%), while the PAHs in estuary water originate mainly from point sources such as biomass burning (50.96%) and traffic emission (49.04%). The range of toxic equivalents in surface water and sediment was 2.73–16.09 ng TEQ g−1 and 0.03–3.63 ng/L, respectively. Although the ecological risk assessment suggests that the PAHs pollution in surface water and sediment poses a low risk, we recommend more attention to the protection of the mangrove ecosystem. This study reveals that mangrove leaf falling might be a significant mechanism of PAH sequestration in the mangrove system, which deserves more attention in future research.

Organic carbon, elemental carbon and particulate semivolatile organic compound emissions from a common-rail diesel engine: Insight into effect of fuel injection pressure at different loads

Effect of fuel injection pressure on organic carbon (OC), elemental carbon (EC) and particulate semivolatile organic compounds (SVOCs), i.e., n-alkanes and polycyclic aromatic hydrocarbons (PAHs), emissions from a common-rail diesel engine was analyzed comprehensively. EC emission rate evidently decreased with increasing injection pressure at low fuel injection pressure ranges (80–120 MPa), while engine load effect on the EC emission was insignificant at high injection pressure ranges (140–160 MPa). The higher fraction of EC2 in the total EC emission appeared at the highest injection pressure ranges (140–160 MPa) under middle and high loads, suggesting the spontaneous carbonization process from soot precursor to ordered soot during the high temperature process. Low injection pressure provided poor combustion condition and caused unburned diesel fuel to volatilize more 2–3 ring PAHs. The percentage of 4-ring PAHs exhibited a rise-then-fall trend with increasing injection pressure, while the maximum percentage of 5–7 ring PAHs appeared at the highest injection pressure ranges (140–160 MPa) under high load condition, suggesting that higher combustion temperature and larger pyrolysis zone under the high injection pressure promoted the formation of lager and more stable PAHs. The fractions of fuel-derived short chain (C16-C21) and oil-derived long chain (C22-C33) in the total n-alkanes exhibited obvious load and injection pressure dependence.

Update for Isomerization Stabilization Energies: The Fulvenization Approach.

An alternative approach for calculating aromatic stabilization energies is proposed based on transforming an (anti)aromatic ring into a fulvene isomer. This fulvenization process gives a value of 34.05 kcal·mol-1 for benzene in the singlet state and a value of -17.85 kcal·mol-1 in the triplet state. Additionally, it is possible to use experimental values (as long as they exist) for the calculation as the gas-phase formation enthalpies of benzene and fulvene, whose difference is 33.72 kcal·mol-1. On the other hand, this same approach has been evaluated on several six-membered rings, including those persubstituted, biradicals, azines, and inorganic analogues, giving results in agreement with those reported in the literature using different criteria. Additionally, it is possible to differentiate the aromaticity of the rings in polycyclic aromatic hydrocarbons according to Clar's rules. Assigning the (anti)aromatic character in various nonbenzenoid rings (neutral and charged), except for five- and seven-membered rings, is also possible. The construction of the fulvene isomers in PAHs is set such that nonaromaticity-related effects are not considered. The results show that the fulvenization approach is an effective and efficient approach that can serve as an alternative or complement to existing tools.

Concurrent assessment of diffusive and advective PAH movement strongly affected by temporal and spatial changes

Chemical movement influences exposure, remediation and interventions. Understanding chemical movement in addition to chemical concentrations at contaminated sites is critical to informed decision making. Using seepage meters and passive sampling devices we assessed both diffusive and advective flux of bioavailable polycyclic aromatic hydrocarbons (PAHs) at three time points, across two seasons, at a former creosote site in St. Helens, Oregon, United States. To our knowledge, this is the first time both diffusive and advective fluxes have been measured simultaneously at a contaminated site. Concentrations of 39 parent PAHs were determined by gas chromatography triple quadrupole mass spectrometry. Across both seasons and all sites, diffusive flux of PAHs was up to three orders of magnitude larger than advective flux. Release of PAHs from sediments and water were identified, likely from legacy contamination, as well as deposition from the air into the site from contemporary and other sources. The majority of PAH movement was comprised of three and four ring PAHs. Chemical movement on the site was found to be spatially and temporally variable. Volatilization decreased and atmospheric deposition increased from summer to fall. At the locations with higher levels of contamination, sum PAH release from sediments decreased by more than two orders of magnitude from summer to late fall. These data reflect the spatial heterogeneity and temporal variability of this site and demonstrate the importance of seasonality in assessing chemical movement at contaminated sites. Results from this study can inform future legacy site assessments to optimize remediation strategies and assess remediation effectiveness.

Distribution and transfer rules of polycyclic aromatic hydrocarbons in soil-wheat ecosystems in China.

The translocation and accumulation patterns of polycyclic aromatic hydrocarbons (PAHs) in the soil-crop system have important implications for the fate of PAHs and human health. This study summarized the concentrations of 16 priority PAHs in the soils and various parts of mature winter wheat in China, sourced from a screening of previous literature in English and Chinese databases. The study analyzes the distribution characteristics, transfer patterns, and human health risks of PAHs in sites studied in Shaanxi, Henan, and Shandong provinces. The results showed that the concentrations of Σ16 PAHs in the rhizosphere soil of wheat ranged from 10.30 to 893.68 ng/g, in descending order of Shaanxi > Henan > average > Shandong. In sites with mild to moderate contamination (200 < Σ16 PAHs < 600 ng/g; i.e., Henan and Shaanxi), the concentration of Σ16 PAHs in the roots was higher than that in the stems or the grains, while in contamination-free sites (Σ16 PAHs < 200 ng/g; i.e., Shandong), the highest concentration of Σ16 PAHs was found in the stems. Generally, the concentrations of PAHs increased in the order of roots-stems-grains. The predominant PAHs in each part of wheat were 2- or 3-ring compounds, with five- or six-ring PAHs being more prevalent in wheat from Shanghe, Shandong. The bioaccumulation factors of different wheat parts from Shaanxi and Henan were consistently smaller than 1, and low- and medium-ring (2-4 rings) PAHs had bigger bioconcentration factors than high-ring (5-6 rings) PAHs. However, the accumulation of PAHs in the aboveground parts of wheat was larger than that in the underground parts of the Shandong sites. The linear regression relationship between the octanol-water partition coefficient and root concentration factor (RCF) of PAHs reflected that low and medium-ring PAHs were more easily absorbed by wheat roots than high-ring PAHs in Shaanxi and Henan. Our assessment of the health risks of oral wheat intake in adults and children by the incremental lifetime cancer risk (ILCR) model found a potential carcinogenic risk for both age groups in each province, with higher risks in adults than in children.

Contamination and source-specific health risk assessment of polycyclic aromatic hydrocarbons in soil from a mega iron and steel site in China

The iron and steel industry has always been a key and difficult point of environmental pollution control. In the present study, 493, 175, 153, 72, and 42 soil samples were collected from the soil depths of 0–0.5, 0.5–2, 2–3, 3–4, and 4–5 m (herein called the layers) of the Shougang Steel site, respectively. Compared with the evaluation criteria, the Shougang Steel surface soil was severely polluted by polycyclic aromatic hydrocarbons (PAHs). Inverse distance-weighted interpolation and the Kruskal-Wallis H test revealed that the soil PAH pollution in the iron-making area, especially the coking area, was severer than those in other areas. The PAH concentrations first decreased, and then, increased with the increase of depth. With the increase in depth, the contributions of 2- and 3-ring PAHs increased, while those of 4-, 5-, and 6-ring PAHs decreased. The bivariate local indicators of spatial association (LISA) analysis was used to identify the areas prone to soil PAH pollution due to atmospheric deposition of industrial waste gas and traffic emissions. The method could be used to analyze the impact of anthropogenic activities on soil's PAH pollution for other contaminated sites. Three main pollution sources of soil PAHs, the backfill source, the combustion of coal, and the traffic emissions, were identified based upon three diagnostic ratios, positive matrix factorization and the bivariate LISA analysis, and accounted for 53.8%, 23.5%, and 22.7%, respectively. The combination of bivariate LISA analysis and other source analysis methods could improve the accuracy of source analysis. Benzo[a]pyrene contributed the most to the total health risk among sixteen PAHs. The health risks related to the three pollution sources decreased in the order of backfill sources > coal combustion > traffic emissions. The incremental life-time carcinogenic risks were all below 10−4, indicating negligible or acceptable risks.