Repurposing consumer sunscreen habits and practices survey data to guide the development of UV filter environmental exposure models and risk assessments.

OBJECTIVE: A key factor that is deficient in most environmental emissions assessments for UV filters is a keen understanding of consumer habits and practices that can inform realistic exposure assessments. This study utilized a large volunteer survey (>11 000 persons) that captured many factors that affect consumer-based loadings to aquatic environments. The purpose of this study was to utilize this large survey to identify factors that affect the amount of sunscreen products used by consumers. METHODS: Correlations among more than 20 variables were used to provide an understanding of the overall dataset and identify factors that may be related to the amount of sunscreen product applied to the body (i.e., application thickness). Forward multiple linear regressions were used to identify the relative importance of each of these factors alone and in combination with others in predicting the amount of applied sunscreen. RESULTS: The proportion of body surface area (BSA) covered by sunscreen was the primary factor related to application thickness, followed by body surface area of the survey participant, seasonal usage, Fitzpatrick skin type and the sun protection factor, respectively. Each of the five regression models examined was statistically highly significant. CONCLUSIONS: Comparisons to recommendations from the National Academies of Science, Engineering and Medicine parameters illustrated sufficient differences so as to encourage the development of future consumer habits and practice surveys that include factors beyond the scope of this study (e.g., activities, time of day, year, location, etc.) that can lead to improved exposure and risk assessments.

OBJECTIF: Un facteur clé qui est insuffisant dans la plupart des évaluations des émissions environnementales pour les filtres UV est une bonne compréhension des habitudes et pratiques des consommateurs qui peuve informer sur les évaluations réalistes de l'exposition. Cette étude a utilisé une vaste enquête auprès de volontaires (> 11 000 personnes) qui a pris en compte de nombreux facteurs affectant les habitudes des consommateurs dans des environnements aquatiques. L'objectif de cette étude était d'utiliser cette vaste enquête pour identifier les facteurs qui affectent la quantité de produit d'écran solaire utilisée par les consommateurs. MÉTHODES: Des corrélations entre plus de vingt variables ont été utilisées pour fournir une compréhension de l'ensemble des données et identifier les facteurs qui peuvent être liés à la quantité de produit d'écran solaire appliqué sur le corps (c.-à-d., épaisseur d'application). Des régressions linéaires multiples ont été utilisées pour identifier l'importance relative de chacun de ces facteurs seuls et en association avec d'autres pour prédire la quantité d'écran solaire appliqué. RÉSULTATS: La proportion de la surface corporelle (SC) couverte par l'écran solaire était le facteur principal lié à l'épaisseur de l'application, suivie de la surface corporelle du participant à l'enquête, de l'utilisation saisonnière, du type de peau (Fitzpatrick) et du facteur de protection solaire, respectivement. Chacun des cinq modèles de régression examinés était hautement significatif statistiquement. CONCLUSIONS: Les comparaisons avec les recommandations des Académies nationales de la science, de l'ingénierie et de la médecine ont mis en évidence des différences suffisantes pour encourager le développement de futures enquêtes sur les habitudes et les pratiques des consommateurs qui incluent des facteurs dépassant le champ d'application de cette étude (ex., activités, moment de la journée, année, lieu, etc.) qui peuvent conduire à une amélioration de l'exposition et des évaluations des risques.

A National-Scale Framework for Visualizing Riverine Concentrations of Microplastics Released from Municipal Wastewater Treatment Incorporating Generalized Instream Losses.

Down-the-drain exposure models provide a valuable tool for estimating environmental exposure to substances which are treated and discharged by municipal wastewater-treatment plants (WWTPs). Microplastics may enter WWTPs from consumer activities and disposal. An exposure framework was developed using the iSTREEM® model, which estimates spatially explicit concentrations of substances in riverine systems across the United States and portions of Ontario, Canada. One hundred simulations covering a range of WWTP removal and instream loss rates (proxy for net sedimentation) were incorporated into a Web-based visualization tool for user exploration of relative concentrations across simulations. Surface water concentrations specific to user-supplied tonnage were examined via interactive heat maps and cumulative distributions. Exploring the spatial aspect of iSTREEM results showed that modeling 90% WWTP removal and no instream loss resulted in 8.5% of the mass entering WWTPs discharged to marine estuaries (7.4%) or Great Lakes (1.1%) environments, with the remainder of the mass discharged (1.5%) in inland sinks or exiting the United States via rivers. Modeling an example instream loss of k = 0.1 d-1 (i.e., half-life = 7 d), terminal river segments contained 3.3% of influent mass (2.3% marine estuaries, 1.0% Great Lakes). Varying instream loss rates had substantial impacts on the total mass exported. The Web-based tool provided a user-based mechanism to visualize relative freshwater concentrations of microplastics across a large geographic area by varying simplified particle fate assumptions. Environ Toxicol Chem 2019;39:210-219. © 2019 SETAC.

Environmental properties of long chain alcohols. Part 1: Physicochemical, environmental fate and acute aquatic toxicity properties.

This paper summarises the physicochemical, biodegradation and acute aquatic ecotoxicity properties of long chain aliphatic alcohols. Properties of pure compounds are shown to follow somewhat predictable trends, which are amenable to estimation by quantitative structure-activity relationships ((Q)SARs). This allows predictions of data relating to human and environmental safety profiles and patterns. These alcohols have been shown to be rapidly degradable under standard conditions up to C(18). Furthermore, evidence suggests that longer chain lengths are also rapidly biodegradable. While logK(ow) values suggest possible bioaccumulation potential, available data suggest that these substances are not as bioaccumulative as estimations would predict. For acute aquatic toxicity, solubility limits the possibility of effects being appropriately observed and become increasingly challenging above C(12). Further, a model has been developed for multi-component mixtures which give an excellent account of aquatic ecotoxicity allowing for the prediction of acute effects of un-tested mixtures.

An overview of hazard and risk assessment of the OECD high production volume chemical category--long chain alcohols [C(6)-C(22)] (LCOH).

This review summarizes the findings of the assessment report for the category, long chain alcohols (LCOH) with a carbon chain length range of C(6)-C(22) covering 30 substances, and >1.5million tonnes/year consumed globally. The category was evaluated under the Organization for Economic Co-operation and Development (OECD) high production volume chemicals program in 2006. The main findings of the assessment include: (1) no unacceptable human or environmental risks were identified; (2) these materials are rapidly and readily biodegradable; (3) a parabolic relationship was demonstrated between carbon chain length and acute and chronic aquatic toxicity; (4) category-specific (quantitative) structure-activity relationships were developed enabling prediction of properties across the entire category; (5) LCOH occur naturally in the environment in an equilibrium between synthesis and degradation; (6) industry coming together and sharing resources results in minimizing the need for additional animal tests, produces cost savings, and increases scientific quality of the assessment.

Repeatability and Reproducibility of the RTgill-W1 Cell Line Assay for Predicting Fish Acute Toxicity.

Predicting fish acute toxicity of chemicals in vitro is an attractive alternative method to the conventional approach using juvenile and adult fish. The rainbow trout (Oncorhynchus mykiss) cell line assay with RTgill-W1 cells has been designed for this purpose. It quantifies cell viability using fluorescent measurements for metabolic activity, cell- and lysosomal-membrane integrity on the same set of cells. Results from over 70 organic chemicals attest to the high predictive capacity of this test. We here report on the repeatability (intralaboratory variability) and reproducibility (interlaboratory variability) of the RTgill-W1 cell line assay in a round-robin study focusing on 6 test chemicals involving 6 laboratories from the industrial and academic sector. All participating laboratories were able to establish the assay according to preset quality criteria even though, apart from the lead laboratory, none had previously worked with the RTgill-W1 cell line. Concentration-response modeling, based on either nominal or geometric mean-derived measured concentrations, yielded effect concentrations (EC50) that spanned approximately 4 orders of magnitude over the chemical range, covering all fish acute toxicity categories. Coefficients of variation for intralaboratory and interlaboratory variability for the average of the 3 fluorescent cell viability measurements were 15.5% and 30.8%, respectively, which is comparable to other fish-derived, small-scale bioassays. This study therefore underlines the robustness of the RTgill-W1 cell line assay and its accurate performance when carried out by operators in different laboratory settings.

In vitro biotransformation of surfactants in fish. Part I: linear alkylbenzene sulfonate (C12-LAS) and alcohol ethoxylate (C13EO8).

Developing regulatory activities (e.g., REACh, [DGEE. 2003. Directorates General Enterprise and Environment. The new EU chemicals legislation REACH. DG Enterprise, Brussels, Belgium. (http://www.europa.eu.int/comm/enterprise/reach/index_en.htm)]) will require bioaccumulation to be assessed for thousands of chemicals. Further, there is increasing pressure to reduce, refine or replace animal tests. Given this scenario, there is an urgent need to evaluate the feasibility of in vitro systems to supply data useful for bioaccumulation estimation. Subcellular and cellular hepatic systems were tested to determine the biotransformation of two surfactants: C12-2-LAS (2-phenyl dodecane p-sulfonate) and an alcohol ethoxylate C13EO8 (Octaethylene glycol monotridecyl ether). The subcellular systems tested were liver homogenates and microsomes from the common carp (Cyprinus carpio) and rainbow trout (Oncorhynchus mykiss). Cellular systems consisted of primary hepatocytes from the common carp (Cyprinus carpio) and PLHC-1 cells, hepatocarcinoma cells from the desert topminnow (Poeciliopsis lucida). All in vitro systems were exposed to radiolabeled test compounds and assayed for biotransformation using liquid scintillation and thin layer chromatographic methods. First-order kinetics were used to estimate rates of biotransformation. Bioconcentration of test materials in fish were predicted using an in vitro to in vivo metabolic rate extrapolation model linked to a mass-balance model commonly used to predict bioaccumulation in fish. Subcellular biotransformation rates for each of the surfactants were greatest with microsomes. Cellular loss rates exceeded subcellular rates, leading to lower predicted BCF values. Predicted BCFs corresponded closely to measured values in several fish species, verifying the utility of in vitro systems in refining Kow-only-based BCFs via the inclusion of biotransformation rates.

Approach for extrapolating in vitro metabolism data to refine bioconcentration factor estimates.

National and international chemical management programs are assessing thousands of chemicals for their persistence, bioaccumulative and environmental toxic properties; however, data for evaluating the bioaccumulation potential for fish are limited. Computer based models that account for the uptake and elimination processes that contribute to bioaccumulation may help to meet the need for reliable estimates. One critical elimination process of chemicals is metabolic transformation. It has been suggested that in vitro metabolic transformation tests using fish liver hepatocytes or S9 fractions can provide rapid and cost-effective measurements of fish metabolic potential, which could be used to refine bioconcentration factor (BCF) computer model estimates. Therefore, recent activity has focused on developing in vitro methods to measure metabolic transformation in cellular and subcellular fish liver fractions. A method to extrapolate in vitro test data to the whole body metabolic transformation rates is presented that could be used to refine BCF computer model estimates. This extrapolation approach is based on concepts used to determine the fate and distribution of drugs within the human body which have successfully supported the development of new pharmaceuticals for years. In addition, this approach has already been applied in physiologically-based toxicokinetic models for fish. The validity of the in vitro to in vivo extrapolation is illustrated using the rate of loss of parent chemical measured in two independent in vitro test systems: (1) subcellular enzymatic test using the trout liver S9 fraction, and (2) primary hepatocytes isolated from the common carp. The test chemicals evaluated have high quality in vivo BCF values and a range of logK(ow) from 3.5 to 6.7. The results show very good agreement between the measured BCF and estimated BCF values when the extrapolated whole body metabolism rates are included, thus suggesting that in vitro biotransformation data could effectively be used to reduce in vivo BCF testing and refine BCF model estimates. However, additional fish physiological data for parameterization and validation for a wider range of chemicals are needed.

Predicting risks from down-the-drain chemicals in a developing country: Mexico and linear alkylbenzene sulfonate as a case study.

It is recognized that the amount of natural dilution available can make a significant difference in the exposure and risk assessment of chemicals that emanate from wastewater treatment plants (WWTPs). However, data availability is a common limiting factor in exposure assessments for emerging markets. In the present study, we used a novel approach to derive dilution factors for the receiving waters within 5 km of wastewater discharge points in Mexico by combining locally measured river volumes, ecoregion categorization, data on WWTP capacity, and global river network models. Distributions of wastewater effluent into receiving stream dilution factors were developed for the entire country and organized by ecoregion type to explore spatial differences. The distribution of dilution factors in Mexico ranged from >1000 in tropical and temperate ecoregions to 1 in desert ecoregions. To demonstrate its utility, dilution factors were used to develop a probabilistic model to explore the potential ecological risks of the high-volume surfactant linear alkylbenzene sulfonate (LAS), commonly used in down-the-drain cleaning products. The predicted LAS river exposure values were below the predicted no-effect concentration in all regions. The methodology developed for Mexico can be used to derive refined exposure assessments in other countries with emerging markets throughout the world, resulting in more realistic risk assessments. Environ Toxicol Chem 2018;37:2475-2486. © 2018 SETAC.

Prospective mixture risk assessment and management prioritizations for river catchments with diverse land uses.

Ecological risk assessment increasingly focuses on risks from chemical mixtures and multiple stressors because ecosystems are commonly exposed to a plethora of contaminants and nonchemical stressors. To simplify the task of assessing potential mixture effects, we explored 3 land use-related chemical emission scenarios. We applied a tiered methodology to judge the implications of the emissions of chemicals from agricultural practices, domestic discharges, and urban runoff in a quantitative model. The results showed land use-dependent mixture exposures, clearly discriminating downstream effects of land uses, with unique chemical "signatures" regarding composition, concentration, and temporal patterns. Associated risks were characterized in relation to the land-use scenarios. Comparisons to measured environmental concentrations and predicted impacts showed relatively good similarity. The results suggest that the land uses imply exceedances of regulatory protective environmental quality standards, varying over time in relation to rain events and associated flow and dilution variation. Higher-tier analyses using ecotoxicological effect criteria confirmed that species assemblages may be affected by exposures exceeding no-effect levels and that mixture exposure could be associated with predicted species loss under certain situations. The model outcomes can inform various types of prioritization to support risk management, including a ranking across land uses as a whole, a ranking on characteristics of exposure times and frequencies, and various rankings of the relative role of individual chemicals. Though all results are based on in silico assessments, the prospective land use-based approach applied in the present study yields useful insights for simplifying and assessing potential ecological risks of chemical mixtures and can therefore be useful for catchment-management decisions. Environ Toxicol Chem 2018;37:715-728. © 2017 The Authors. Environmental Toxicology Chemistry Published by Wiley Periodicals, Inc.

Use of prospective and retrospective risk assessment methods that simplify chemical mixtures associated with treated domestic wastewater discharges.

A framework is presented that is intended to facilitate the evaluation of potential aquatic ecological risks resulting from discharges of down-the-drain chemicals. A scenario is presented using representatives of many of the types of chemicals that are treated domestically. Predicted environmental chemical concentrations are based on reported loading rates and routine removal rates for 3 types of treatment: trickling filter, activated sludge secondary treatment, and activated sludge plus advanced oxidation process as well as instream effluent dilution. In tier I, predicted effluent concentrations were compared with the lowest predicted-no-effect concentration (PNEC) obtained from the literature using safety factors as needed. A cumulative risk characterization ratio (cumRCR) < 1.0 indicates that risk is unlikely and no further action is needed. Otherwise, a tier 2 assessment is used, in which PNECs are based on trophic level. If tier 2 indicates a possible risk, then a retrospective assessment is recommended. In tier 1, the cumRCR was > 1.0 for all 3 treatment types in our scenario, even though no chemical exceeded a hazard quotient of 1.0 in activated sludge or advanced oxidation process. In tier 2, activated sludge yielded a lower cumRCR than trickling filter because of higher removal rates, and the cumRCR in the advanced oxidation process was << 1.0. Based on the maximum cumulative risk ratio (MCR), more than one-third of the predicted risk was accounted for by one chemical, and at least 90% was accounted for by 3 chemicals, indicating that few chemicals influenced the mixture risk in our scenario. We show how a retrospective assessment can test whether certain chemicals hypothesized as potential drivers in the prospective assessment could have, or are having, deleterious effects on aquatic life. Environ Toxicol Chem 2018;37:690-702. © 2017 The Authors. Environmental Toxicology and Chemistry Published by Wiley Periodicals, Inc. on behalf of SETAC.

Advancing the quality of environmental microplastic research.

Investigations into the environmental fate and effects of microplastics have been gaining momentum. Small, insoluble polymeric particles are implicated by scientists in a wide variety of studies that are used to suggest a potential for widespread impacts in freshwater and marine pelagic and sediment environments. An exponential growth in scientific publications and an increase in regulatory attention have occurred. However, despite these efforts, the environmental hazard of these particles is still unknown. To evaluate the hazard of microplastics within a risk assessment context, we need a way to evaluate the quality of experimental studies. We performed a thorough review of the quality and focus of environmental microplastic research, to understand the methodologies employed and how this may assist or distract from the ability of environmental risk assessors to evaluate microplastics. We provide guidance to improve the reliability and relevance of ecotoxicological studies for regulatory and broader environmental assessments. Nine areas of needed improvement are identified and discussed. Important data gaps and experimental limitations are highlighted. Environ Toxicol Chem 2017;36:1697-1703. © 2017 SETAC.

Predictive models attribute effects on fish assemblages to toxicity and habitat alteration.

Biological assessments should both estimate the condition of a biological resource (magnitude of alteration) and provide environmental managers with a diagnosis of the potential causes of impairment. Although methods of quantifying condition are well developed, identifying and proportionately attributing impairment to probable causes remain problematic. Furthermore, analyses of both condition and cause have often been difficult to communicate. We developed an approach that (1) links fish, habitat, and chemistry data collected from hundreds of sites in Ohio (USA) streams, (2) assesses the biological condition at each site, (3) attributes impairment to multiple probable causes, and (4) provides the results of the analyses in simple-to-interpret pie charts. The data set was managed using a geographic information system. Biological condition was assessed using a RIVPACS (river invertebrate prediction and classification system)-like predictive model. The model provided probabilities of capture for 117 fish species based on the geographic location of sites and local habitat descriptors. Impaired biological condition was defined as the proportion of those native species predicted to occur at a site that were observed. The potential toxic effects of exposure to mixtures of contaminants were estimated using species sensitivity distributions and mixture toxicity principles. Generalized linear regression models described species abundance as a function of habitat characteristics. Statistically linking biological condition, habitat characteristics including mixture risks, and species abundance allowed us to evaluate the losses of species with environmental conditions. Results were mapped as simple effect and probable-cause pie charts (EPC pie diagrams), with pie sizes corresponding to magnitude of local impairment, and slice sizes to the relative probable contributions of different stressors. The types of models we used have been successfully applied in ecology and ecotoxicology, but they have not previously been used in concert to quantify impairment and its likely causes. Although data limitations constrained our ability to examine complex interactions between stressors and species, the direct relationships we detected likely represent conservative estimates of stressor contributions to local impairment. Future refinements of the general approach and specific methods described here should yield even more promising results.

Occurrence and weight-of-evidence risk assessment of alkyl sulfates, alkyl ethoxysulfates, and linear alkylbenzene sulfonates (LAS) in river water and sediments.

Alkyl sulfates (AS), alkyl ethoxysulfates (AES) and linear alkyl benzene sulfonates (LAS) are all High Production Volume (HPV) and 'down-the-drain' chemicals used globally in detergent and personal care products, resulting in low levels ultimately released to the environment via wastewater effluent. Due to their surfactant properties, they preferentially sorb to sediments. Hence, assessment of their levels and potential perturbations on benthos are of interest. The relative levels of AS/AES decreased with distance from the wastewater treatment plant outfall. However, this was not evident for LAS. Short chained AES and especially AS dominated the homologue distribution for AES. There were no evident patterns in LAS homologue distribution. The overall mean margin of exposure (MoE) for AS/AES and LAS is approximately 40 (range: 3 to 100) suggesting no noteworthy perturbation on biota. The findings in this study are in concordance with previous preliminary hazard screening. Comparative sediment contamination analyses principally based on Chapman and Anderson [Chapman PM, Anderson, J. A decision-making framework for sediment contamination. Integr Environ Assess Mana. 2005; 1: 163-173.] and the U.S. Environmental Protection Agency RAPID assessment methods [USEPA. Rapid bioassessment protocols for use in wadeable streams and rivers: Periphyton, benthic, macroinvertebrates, and fish. 1999. Second Edition. U.S. Environmental Protection Agency Office of Water, Washington, D.C. EPA 841-B-99-002.] did not reveal significant correlations between the surfactant concentrations and ecological status of the sampling locations. Several Lines of Evidence (LoE) of the Weight-of-Evidence (WoE) lead to the conclusion of low aquatic risk associated to the monitored compounds.

Occurrence and hazard screening of alkyl sulfates and alkyl ethoxysulfates in river sediments.

Alkyl sulfates (AS) and alkyl ethoxysulfates (AES) are High Production Volume (HPV) 'down-the-drain' chemicals widely used globally in detergent and personal care products, resulting in low levels (ng to microg L(-1) range) ultimately released to the environment via wastewater. These surfactants have a strong affinity for sorption to sediments. However, data regarding the fate and effects following release into the environment has not been reported. Sediment samples from both normal exposed and presumably low exposed locations (background) were analyzed to determine the levels of AS/AES. The method used in this study shows broad applicability across various sediment types and the most common congeners of AS/AES. The combined levels of AS/AES detected in the two presumed lower exposed sites ranged from 0.025 and 0.034 microg g(-1) on a dry weight (dw) basis while the presumed higher exposed site had combined levels of AS/AES of 0.117 microg g(-1) (dw) based on triplicate analyses. Results indicate that detectable levels of AS/AES can be found in sediments in the environment at these three sites that are below the concentrations expected to produce significant adverse ecological effects for individual homologues and the whole mixture, the hazard screening for these three sites had PEC(porewater)/PNEC(total mixture) ratios of 0.007-0.024. However, further investigation of potential effects and risk assessment is warranted.

Eco-epidemiology of aquatic ecosystems: Separating chemicals from multiple stressors.

A non-toxic environment and a good ecological status are policy goals guiding research and management of chemicals and surface water systems in Europe and elsewhere. Research and policies on chemicals and water are however still disparate and unable to evaluate the relative ecological impacts of chemical mixtures and other stressors. This paper defines and explores the use of eco-epidemiological analysis of surveillance monitoring data sets via a proxy to quantify mixture impacts on ecosystems. Case studies show examples of different, progressive steps that are possible. Case study data were obtained for various regions in Europe and the United States. Data types relate to potential stressors at various scales, concerning landscape, land-use, in-stream physico-chemical and pollutant data, and data on fish and invertebrates. The proxy-values for mixture impacts were quantified as predicted (multi-substance) Potentially Affected Fractions of species (msPAF), using Species Sensitivity Distribution (SSD) models in conjunction with bioavailability and mixture models. The case studies summarize the monitoring data sets and the subsequent diagnostic bioassessments. Variation in mixture toxic pressures amongst sites appeared to covary with abundance changes in large (50-86%) percentages of taxa for the various study regions. This shows that an increased mixture toxic pressure (msPAF) relates to increased ecological impacts. Subsequent multi-stressor evaluations resulted in statistically significant, site-specific diagnosis of the magnitudes of ecological impacts and the relative contributions of different stress factors to those impacts. This included both mixtures and individual chemicals. These results allow for ranking stressors, sites and impacted species groups. That is relevant information for water management. The case studies are discussed in relation to policy and management strategies that support reaching a non-toxic environment and good ecological status. Reaching these goals requires not only focused sectoral policies, such as on chemical- or water management, but also an overarching and solution-focused view.

iSTREEM(®) : An approach for broad-scale in-stream exposure assessment of "down-the-drain" chemicals.

The "in-stream exposure model" iSTREEM(®) , a Web-based model made freely available to the public by the American Cleaning Institute, provides a means to estimate concentrations of "down-the-drain" chemicals in effluent, receiving waters, and drinking water intakes across national and regional scales under mean annual and low-flow conditions. We provide an overview of the evolution and utility of the iSTREEM model as a screening-level risk assessment tool relevant for down-the-drain products. The spatial nature of the model, integrating point locations of facilities along a hydrologic network, provides a powerful framework to assess environmental exposure and risk in a spatial context. A case study compared national distributions of modeled concentrations of the fragrance 1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8,-hexamethylcyclopenta-γ-2-benzopyran (HHCB) and the insect repellent N,N-Diethyl-m-toluamide (DEET) to available monitoring data at comparable flow conditions. The iSTREEM low-flow model results yielded a conservative distribution of values, whereas the mean-flow model results more closely resembled the concentration distribution of monitoring data. We demonstrate how model results can be used to construct a conservative estimation of the distribution of chemical concentrations for effluents and streams leading to the derivation of a predicted environmental concentration (PEC) using the high end of the concentration distribution (e.g., 90th percentile). Data requirements, assumptions, and applications of iSTREEM are discussed in the context of other down-the-drain modeling approaches to enhance understanding of comparative advantages and uncertainties for prospective users interested in exposure modeling for ecological risk assessment. Integr Environ Assess Manag 2016;12:782-792. © 2016 SETAC.

Development of algal interspecies correlation estimation models for chemical hazard assessment.

Web-based Interspecies Correlation Estimation (ICE) is an application developed to predict the acute toxicity of a chemical from 1 species to another taxon. Web-ICE models use the acute toxicity value for a surrogate species to predict effect values for other species, thus potentially filling in data gaps for a variety of environmental assessment purposes. Web-ICE has historically been dominated by aquatic and terrestrial animal prediction models. Web-ICE models for algal species were essentially absent and are addressed in the present study. A compilation of public and private sector-held algal toxicity data were compiled and reviewed for quality based on relevant aspects of individual studies. Interspecies correlations were constructed from the most commonly tested algal genera for a broad spectrum of chemicals. The ICE regressions were developed based on acute 72-h and 96-h endpoint values involving 1647 unique studies on 476 unique chemicals encompassing 40 genera and 70 species of green, blue-green, and diatom algae. Acceptance criteria for algal ICE models were established prior to evaluation of individual models and included a minimum sample size of 3, a statistically significant regression slope, and a slope estimation parameter ≥0.65. A total of 186 ICE models were possible at the genus level, with 21 meeting quality criteria; and 264 ICE models were developed at the species level, with 32 meeting quality criteria. Algal ICE models will have broad utility in screening environmental hazard assessments, data gap filling in certain regulatory scenarios, and as supplemental information to derive species sensitivity distributions. Environ Toxicol Chem 2016;35:2368-2378. Published 2016 Wiley Periodicals Inc. on behalf of SETAC. This article is a US government work and, as such, is in the public domain in the United States of America.

Fish critical cellular residues for surfactants and surfactant mixtures.

The feasibility of using in vitro methods to predict in vivo critical body residue (CBR) for single surfactants and mixtures by measuring the critical cell residue (CCR) in a hepatic fish cell line (PLHC-1C) was investigated. The CCR values were determined using radiochemical methods to measure the test compound partitioning between media and cells at varying concentrations for three distinctly different surfactants (anionic, cationic, and nonionic) and their mixture. The cell median effective concentration (EC50) values for hexadecyltrimethylammonium chloride (C16TMAC), dodecyl hexaethoxylate (C12E6), and sodium dodecylbenzene sulfonate (C12LAS) ranged from 2.9 to 163.3 microM, a 54-fold difference. These cell EC50 values indicate that the cells are several-fold less sensitive to surfactants than whole organisms are. However, based on cellular residue levels for each surfactant and their mixture, only an approximately threefold difference was observed with a range of 0.6 to 1.8 mmol/kg. These concentrations correspond closely to in vivo body burdens (0.2-8 mmol/kg) associated with nonpolar organic or narcosis-acting compounds and their mixtures. The CCRs could provide an alternative and rapid technique to predict CBRs.