An Integrated Workflow Assisted by In Silico Predictions To Expand the List of Priority Polycyclic Aromatic Compounds

Li, Tingyu; Su, Wenyuan; Zhong, Laijin; Liang, Wenqing; Feng, Xiaoxia; Zhu, Bao; Ruan, Ting; Jiang, Guibin

doi:10.1021/acs.est.3c07087

Cited by 7 publications

(5 citation statements)

References 60 publications

(166 reference statements)

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“…It is noteworthy that the RIs of the PAHs with various functional groups contributed ∼80% of the total RIs for the PAHs and derivatives, i.e., about four times the contributions of legacy PAHs. Similar results were previously found for the toxicity contributions of PAHs and derivatives in ambient fine particulate matter <2.5 μm in diameter …”

Section: Resultssupporting

confidence: 90%

“…PAHs and their derivatives and esters together accounted for almost half (45%) of the 40 common compounds. PAHs and derivatives have frequently been found in human milk − and environmental media. − Half of the identified esters were PAEs, which account for >80% of plasticizer production around the world . PAEs are ubiquitous and interfere with endocrine systems, so they have been of concern for a long time .…”

Section: Resultsmentioning

confidence: 99%

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Identification and Prioritization of Organic Pollutants in Human Milk from the Yangtze River Delta, China

Cheng,

Gao,

Cao

et al. 2024

Environ. Sci. Technol.

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Section: Resultssupporting

confidence: 90%

Section: Resultsmentioning

confidence: 99%

Identification and Prioritization of Organic Pollutants in Human Milk from the Yangtze River Delta, China

Cheng,

Gao,

Cao

et al. 2024

Environ. Sci. Technol.

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“…It is well established that PAHs are strongly associated with increased carcinogenic risks. The carcinogenic risk from cumulative exposure to PAHs can be assessed by using the “toxicity equivalent factor” (TEF) approach, where the BaP equivalent concentration of each toxic PAH member is calculated based on its concentration and specific TEF conversion factors ( Table 3 ) derived from toxicological studies [ 57 , 58 ]. The BaP-equivalent concentration (BaP eq ) for the mixture of the 16 EPA PAHs (Σ 16 PAHs) was calculated according to the following equation:

where C i is the concentration (in ng m −3 ) and TEF i is the toxicity equivalent factor for each member [ 57 , 59 ].…”

Section: Methodsmentioning

confidence: 99%

“…where C i is the concentration (in ng m −3 ) and TEF i is the toxicity equivalent factor for each member [57,59].…”

Section: Carcinogenic Riskmentioning

confidence: 99%

Spatiotemporal Gradients of PAH Concentrations in Greek Cities and Associated Exposure Impacts

Tsiodra,

Tavernaraki,

Grivas

et al. 2024

Toxics

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To study the spatiotemporal variability of particle-bound polycyclic aromatic hydrocarbons (PAHs) and assess their carcinogenic potential in six contrasting urban environments in Greece, a total of 305 filter samples were collected and analyzed. Sampling sites included a variety of urban background, traffic (Athens, Ioannina and Heraklion), rural (Xanthi) and near-port locations (Piraeus and Volos). When considering the sum of 16 U.S. EPA priority PAHs, as well as that of the six EU-proposed members, average concentrations observed across locations during summer varied moderately (0.4–2.2 ng m−3) and independently of the population of each site, with the highest values observed in the areas of Piraeus and Volos that are affected by port and industrial activities. Winter levels were significantly higher and more spatially variable compared to summer, with the seasonal enhancement ranging from 7 times in Piraeus to 98 times in Ioannina, indicating the large impact of PAH emissions from residential wood burning. Regarding benzo(a)pyrene (BaP), an IARC Group 1 carcinogen and the only EU-regulated PAH, the winter/summer ratios were 24–33 in Athens, Volos, Heraklion and Xanthi; 60 in Piraeus; and 480 in Ioannina, which is afflicted by severe wood-burning pollution events. An excellent correlation was observed between organic carbon (OC) and benzo(a)pyrene (BaP) during the cold period at all urban sites (r2 > 0.8) with stable BaP/OC slopes (0.09–0.14 × 10−3), highlighting the potential use of OC as a proxy for the estimation of BaP in winter conditions. The identified spatiotemporal contrasts, which were explored for the first time for PAHs at such a scale in the Eastern Mediterranean, provide important insights into sources and controlling atmospheric conditions and reveal large deviations in exposure risks among cities that raise the issue of environmental injustice on a national level.

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“…The initial AQUA-GAPS/MONET studies focused on the most "traditional" HOCs − PCBs/OCPs, and PAHs/PCMs in this study. Future work will try to expand the analyte list to include suspect screening and nontarget approaches (e.g., Li et al 44 ). The benefit of AQUA-GAPS/MONET is the global coverage, helping to highlight compounds of potential global concern.…”

Section: Environmentalmentioning

confidence: 99%

AQUA-GAPS/MONET-Derived Concentrations and Trends of PAHs and Polycyclic Musks across Global Waters

Lohmann,

Vrana,

Muir

et al. 2024

Environ. Sci. Technol.

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Polycyclic aromatic hydrocarbons (PAHs), released from petrogenic, pyrogenic or diagenetic sources (degradation of wood materials), are of global concern due to their adverse effects, and potential for long-range transport. While dissolved PAHs have been frequently reported in the literature, there has been no consistent approach of sampling across water bodies. Passive samplers from the AQUA/GAPS-MONET initiative were deployed at 46 sites (28 marine and 18 freshwater), and analyzed for 28 PAHs and six polycyclic musks (PCMs) centrally. Freely dissolved PAH concentrations were dominated by phenanthrene (mean concentration 1500 pg L −1 ; median 530 pg L −1 ) and other low molecular weight compounds. Greatest concentrations of phenanthrene, fluoranthene, and pyrene were typically from the same sites, mostly in Europe and North America. Of the PCMs, only galaxolide (72% of samples) and tonalide (61%) were regularly detected, and were significantly cross-correlated. Benchmarking of PAHs relative to penta-and hexachlorobenzene confirmed that the most remote sites (Arctic, Antarctic, and mountain lakes) displayed below average PAH concentrations. Concentrations of 11 of 28 PAHs, galaxolide and tonalide were positively correlated (P < 0.05) with population density within a radius of 5 km of the sampling site. Characteristic PAH ratios gave conflicting results, likely reflecting multiple PAH sources and postemission changes.

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An Integrated Workflow Assisted by In Silico Predictions To Expand the List of Priority Polycyclic Aromatic Compounds

Cited by 7 publications

References 60 publications

Identification and Prioritization of Organic Pollutants in Human Milk from the Yangtze River Delta, China

Identification and Prioritization of Organic Pollutants in Human Milk from the Yangtze River Delta, China

Spatiotemporal Gradients of PAH Concentrations in Greek Cities and Associated Exposure Impacts

AQUA-GAPS/MONET-Derived Concentrations and Trends of PAHs and Polycyclic Musks across Global Waters

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