A large number of different of polycyclic aromatic hydrocarbons (PAHs) have been found in environmental media, yet water quality guidelines (WQGs) are only available for a small subset of PAHs, limiting our ability to adequately assess environmental risks from these compounds. The target lipid model (TLM) was published over 20 years ago and has been extensively validated in the literature, but it has still not been widely adopted by jurisdictions to derive WQGs for PAHs. The goal of our study was to better align the methods for deriving TLM-based WQGs with international derivation protocols. This included updating the TLM with rescreened data to identify datapoints by which effect concentrations were estimated rather than measured, modernizing the statistics used to generate the hazard concentration, and testing the applicability of a chronic TLM model rather than using the acute-to-chronic ratio. The results show that the acute TLM model did not deviate substantially from the previous iteration, indicating that the model has reached a point of stability after over 20 years of testing and improvements. Water quality guidelines derived directly from a chronic TLM provided a similar level of protection as previous iterations of the TLM. The major advantage of adopting TLM-derived WQGs is the expanded list of PAH WQGs, which will allow a more fulsome quantification of environmental risks and the ability to apply the model to mixtures. Environ Toxicol Chem 2024;43:686-700. © 2023 SETAC.

This review delves into the intricate world of Polycyclic Aromatic Hydrocarbons (PAHs) and their bioaccumulation in marine organisms. It explores how physicochemical attributes of individual compounds, along with metabolic oxidation and elimination processes, influence this bioaccumulation. The review further investigates the risks and toxicity associated with PAHs in marine organisms. Subsequently, sediment and water quality guidelines used to assess the potential for adverse effects from PAH exposure are discussed exposing significant differences in the methodological approaches used to establish the guidelines, which can lead to discrepancies in the values used to compare PAH concentrations and limitations to their use. Emphasis is placed on the criteria employed in establishing these guidelines, rooted in adverse effects data linked to PAHs, and efforts to establish local quality guidelines for a tropical area are described. This exploration serves to enhance our understanding of the complex interplay between PAHs and marine ecosystems, informing more effective environmental management strategies.

Fused and non-fused polycyclic aromatic hydrocarbons (FNFPAHs) are a type of organic compounds widely occurring in the environment that pose a potential hazard to ecosystem and public health, and thus receive extensive attention from various regulatory agencies. Here, quantitative structure-activity relationship (QSAR) models were constructed to model the ecotoxicity of FNFPAHs against two aquatic species, Daphnia magna and Oncorhynchus mykiss. According to the stringent OECD guidelines, we used genetic algorithm (GA) plus multiple linear regression (MLR) approach to establish QSAR models of the two aquatic toxicity endpoints: D. magna (48 h LC50) and O. mykiss (96 h LC50). The models were established using simple 2D descriptors with explicit physicochemical significance and evaluated using various internal/external validation metrics. The results clearly show that both models are statistically robust (QLOO2 = 0.7834 for D. magna and QLOO2 = 0.8162 for O. mykiss), have good internal fitness (R2 = 0.8159 for D. magna and R2 = 0.8626 for O. mykiss and external predictive ability (D. magna: Rtest2 = 0.8259, QFn2 = 0.7640∼0.8140, CCCtest = 0.8972; O. mykiss:Rtest2 = 0.8077, QFn2 = 0.7615∼0.7722, CCCtest = 0.8910). To prove the predictive performance of the developed models, an additional comparison with the standard ECOSAR tool obviously shows that our models have lower RMSE values. Subsequently, we utilized the best models to predict the true external set compounds collected from the PPDB database to further fill the toxicity data gap. In addition, consensus models (CMs) that integrate all validated individual models (IMs) were more externally predictive than IMs, of which CM2 has the best prediction performance towards the two aquatic species. Overall, the models presented here could be used to evaluate unknown FNFPAHs inside the domain of applicability (AD), thus being very important for environmental risk assessment under current regulatory frameworks.

This paper presents a tiered assessment approach that enabled identification, triage, interrogation and confirmation of significantly contaminated areas of an urbanised West Australian estuary. The spatial distribution of organochlorine pesticides (OCPs), polycyclic aromatic hydrocarbons (PAHs) and bioavailable metals was determined in surficial sediments of the Swan-Canning Estuary through broad-scale screening (500 cores, 100 composite samples, 20 locations). The application of sediment quality guideline values (SQGVs) enabled ranking of locations through risk-based scoring and identification of contaminant hotspots. Subsequent targeted ecotoxicological and chemical assessment was undertaken at the highest scoring location in each tributary (80 cores, 16 composite samples, 3 locations, 16 sites). In the Canning tributary, Bull Creek sediments demonstrated the highest metal concentrations and greatest number of SQGVs exceeded. High-level toxicity was experienced in copepods and moderate toxicity in mussels (test sensitivity: copepod>mussel>amphipod). Toxicity-inducing contamination was attributable to two stormwater outfalls and limited to 300 m from points of discharge. In the Swan tributary, Claisebrook sediments demonstrated the highest concentrations of all PAHs, most OCPs and metals and the greatest number of SQGVs exceeded. High-level toxicity was reported in fish and mussels and moderate toxicity in copepods and amphipods (test sensitivity: fish>mussel>amphipod>copepod). Toxicity-inducing contamination included a stretch of estuary >1 km long, and two stormwater outfalls in the area were likely sources. The distribution and nature of PAH contamination suggested an additional source at Claisebrook. This combined chemistry and biological effects dataset provides critical information for the management of planned major development and concomitant estuary-bed disturbance in the coming decade.

The Fort McMurray region in northeastern Alberta (Canada) is rich in natural sources of polycyclic aromatic compounds (PACs) from exposed bitumen beds; anthropogenic sources are being released with increased oil sands industry expansion. Here we report on investigations of PACs (47 compounds) in three species of forage fish collected during the 2012-2013 Joint Oil Sands Monitoring Program (JOSMP) fish health investigations and compare results with PAC data for sediment and water collected under JOSMP and earlier programs. PAC concentrations in sediments varied three orders in magnitude and were highest at downstream tributary mouths, which flowed through the exposed McMurray Formation, and along reaches of the Athabasca River where the formation was exposed. PAC concentrations in water were less variable but with higher concentrations near exposed bitumen beds. Forage fish exhibited the weakest spatial gradients in ΣPACs concentration, which averaged 102 ± 32 ng/g in trout-perch from the Athabasca River, 125 ± 22 ng/g in lake chub from the Ells River, and 278 ± 267 ng/g in slimy sculpin from the Steepbank, Firebag, and Dunkirk Rivers. Low-molecular weight compounds, particularly naphthalenes and fluorenes, dominated fish PACs. Phenanthrenes occurred in greater percent composition in fish caught in areas where PAC concentrations in sediments were higher due to the proximity of bitumen sources than in other areas. Dibenzothiophene, a major component of bitumen PAC, was a minor component of fish ΣPACs. Forage fish PAC concentrations were below fish consumption guidelines established by the European Commission (2011) and for the reopening of the commercial fisheries closed by the Deepwater Horizon oil spill. PAC concentrations in forage fish were similar to concentrations observed in many other studies (fish market surveys, estuaries, and marine waters) and lower than in fish sampled from highly impacted areas (near refineries, harbors, and other industrialized areas).

Polycyclic aromatic hydrocarbons (PAHs) in sediments can pose harm to the benthic community. Numerous sediment quality guidelines (SQGs) for the protection of benthic life are available to assess the risk of individual PAHs and PAH mixtures in sediments. Sediment quality guidelines are derived using empirical or mechanistic approaches. Empirically based guidelines are derived using databases of paired sediment chemistry and biological responses and relating sediment concentration to the frequency of an adverse response. Mechanistically based SQGs are derived by considering the inherent aqueous toxicity of the chemical to different biota coupled with site-specific sediment characteristics (i.e., organic C) known to influence PAH bioavailability. Additionally, SQGs are derived to be either protective or predictive of adverse effects in benthic organisms. The objective of this critical review was to evaluate SQGs for use in screening-level risk assessments to identify sediments that may pose a risk to the benthic community. SQGs for PAHs were compiled and compared, and performance evaluated for predicting the presence and absence of toxicity using an extensive field data set. Furthermore, a 2-carbon equilibrium partitioning model and direct measurement of porewater via passive sampling were evaluated for improved performance in higher tiered risk assessments. Recommendations for the use of SQGs in screening evaluations, enhancements to current approaches, and opportunities to refine site risk estimate assessments using passive sampling measurements are discussed. Integr Environ Assess Manag 2019;15:505-518. © 2019 SETAC.

Eight software applications are compared for their performance in estimating the octanol-water partition coefficient (Kow), melting point, vapor pressure and water solubility for a dataset of polychlorinated biphenyls, polybrominated diphenyl ethers, polychlorinated dibenzodioxins, and polycyclic aromatic hydrocarbons. The predicted property values are compared against a curated dataset of measured property values compiled from the scientific literature with careful consideration given to the analytical methods used for property measurements of these hydrophobic chemicals. The variability in the predicted values from different calculators generally increases for higher values of Kow and melting point and for lower values of water solubility and vapor pressure. For each property, no individual calculator outperforms the others for all four of the chemical classes included in the analysis. Because calculator performance varies based on chemical class and property value, the geometric mean and the median of the calculated values from multiple calculators that use different estimation algorithms are recommended as more reliable estimates of the property value than the value from any single calculator.

Risk-based, background, and laboratory quantitation limit-derived standards for carcinogenic polycyclic aromatic hydrocarbons (cPAHs) in residential and nonresidential soils vary across the northeast region of the United States. The magnitude and extent of this variation, however, have not been systematically studied. This article examines the technical basis and methodology used by eight northeastern states in the development of risk-based screening values, guidelines, and standards for cPAHs in soils. Exposure pathways, human receptors, algorithms, and input variables used by each state in the calculation of acceptable human health risks are identified and reviewed within the context of environmental policy and regulatory impacts. Emphasis is placed on a comparative analysis of multipathway exposures (incidental ingestion, dermal contact, and particulate inhalation) and key science-policy decisions that have led to the promulgation and adoption of different exposure criteria for cPAHs in the Northeast. More than 425 data points and 20 distinct exposure factors across eight state programs, 18 age subgroups, six activity scenarios, and three exposure pathways were systematically evaluated. Risk-based values for one state varied either above or below risk-based, background or laboratory quantitation limit-derived standards of another state for the same cPAH and receptor. Standards for cPAHs in soils were found to differ significantly across the northeast region--in some cases, by one or two orders of magnitude. While interstate differences can be expected to persist, future changes in federal guidance could mean a shift in risk drivers, compliance status, or calculated cumulative risks for individual properties impacted by PAH releases.

Globally, estimated costs to manage (i.e., remediate and monitor) contaminated sediments are in the billions of U.S. dollars. Biologically based approaches for assessing the contaminated sediments which pose the greatest ecological risk range from toxicity testing to benthic community analysis. In addition, chemically based sediment quality guidelines (SQGs) provide a relatively inexpensive line of evidence for supporting these assessments. The present study summarizes a mechanistic SQG based on equilibrium partitioning (EqP), which uses the dissolved concentrations of contaminants in sediment interstitial waters as a surrogate for bioavailable contaminant concentrations. The EqP-based mechanistic SQGs are called equilibrium partitioning sediment benchmarks (ESBs). Sediment concentrations less than or equal to the ESB values are not expected to result in adverse effects and benthic organisms should be protected, while sediment concentrations above the ESB values may result in adverse effects to benthic organisms. In the present study, ESB values are reported for 34 polycyclic aromatic hydrocarbon, 32 other organic contaminants, and seven metals (cadmium, chromium, copper, nickel, lead, silver, zinc). Also included is an overview of EqP theory, ESB derivation, examples of applying ESB values, and considerations when using ESBs. The ESBs are intended as a complement to existing sediment-assessment tools, to assist in determining the extent of sediment contamination, to help identify chemicals causing toxicity, and to serve as targets for pollutant loading control measures.

Eight different surface sediment samples (K1-K8) were collected from two separate areas of Lake Koumoundourou and two samples (E1 and E2) from one area of Elefsis Bay, Athens, Greece. The level of pollution attributed to heavy metals was evaluated using several pollution indicators. Degree of Contamination, Modified Contamination Degree and Geoaccumulation Indexes were applied in order to determine and assess the anthropogenic contribution of the selected six elements (Cr, Ni, Cu, Zn, As and Pb). Moreover, the adverse effects of the sediments to aquatic organisms, from both heavy metals and polycyclic aromatic hydrocarbons (PAHs), were determined by using Sediment Quality Guidelines. The results indicated that Lake Koumoundourou is contaminated with heavy metals in a moderate degree and almost 50 % of the sediments are associated with frequent observation of adverse effects, when it comes to Ni and occasional observation of adverse effects, when it comes to Cu, Zn and Pb. As far as PAHs are concerned, around 60 % of the samples can be occasionally associated to toxic biological effects according to the effect-range classification for phenanthrene, benzo(a)anthracene, chrysene and pyrene. Finally, samples taken from the north side of the lake are more contaminated with PAHs than the ones taken from the east side probably due to the existence of the water barrier which acts as a reservoir of PAHs.