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Many ambient water quality criteria established to protect aquatic life from acute toxicity are calculated using a procedure described in the US Environmental Protection Agency's '1985 Guidelines' (USEPA ). The procedure yields a final acute value (FAV) from acceptable median lethal or effective concentrations (LC50 or EC50, respectively) that is a single-point, deterministic estimate of the concentration of a chemical substance that will protect 95% of aquatic species from >50% mortality or other acute toxic effects. However, because of variation and uncertainty associated with toxicity test results, uncertainty in the estimated FAV exists that is not accounted for by the 1985 Guidelines procedure. Here, Monte Carlo analysis is used to characterize this uncertainty. The analysis uses Cu EC50 values adjusted for differences in test water chemistry obtained from USEPA's final freshwater Cu criteria guidance published in 2007. Additional Monte Carlo simulations illustrate Cu FAV distributions obtained using a subset of tested species and assuming fewer replicate tests. The deterministic procedure yields an FAV of 4.68 µg/L for the complete data set. By comparison, 3 replicate Monte Carlo simulations yielded mean FAVs of 4.66 µg/L. The 5th and 95th percentiles of the distribution of calculated FAVs were 4.14 µg/L and 5.20 µg/L, respectively. Reducing the number of tested genera from 27 to 8 (the minimum recommended by the 1985 Guidelines) and setting the number of tests per species equal to 3 yielded 5th and 95th percentiles of 1.22 µg/L and 6.18 µg/L, respectively, compared to a deterministic estimate of 2.80 µg/L. Results of this study indicate that Monte Carlo analysis can be used to improve the understanding and communication of uncertainty associated with water quality criteria derived from acute toxicity data using the 1985 Guidelines. This may benefit the development, revision, and application of these criteria in the future. Integr Environ Assess Manag 2011;7:269-279. © 2010 SETAC [ABSTRACT FROM AUTHOR]

Abstract: The variability of toxicity data contained within databases was investigated using the widely used US EPA ECOTOX database as an example. Fish acute lethality (LC50) values for 44 compounds (for which at least 10 data entries existed) were extracted from the ECOTOX database yielding a total of 4654 test records. Significant variability of LC50 test results was observed, exceeding several orders of magnitude. In an attempt to systematically explore potential causes of the data variability, the influence of biological factors (such as test species or life stages) and physical factors (such as water temperature, pH or water hardness) were examined. Even after eliminating the influence of these inherent factors, considerable data variability remained, suggesting an important role of factors relating to technical and measurement procedures. The analysis, however, was limited by pronounced gaps in the test documentation. Of the 4654 extracted test reports, 66.5% provided no information on the fish life stage used for testing. Likewise, water temperature, hardness or pH were not recorded in 19.6%, 48.2% and 41.2% of the data entries, respectively. From these findings, we recommend the rigorous control of data entries ensuring complete recording of testing conditions. A more consistent database will help to better discriminate between technical and natural variability of the test data, which is of importance in ecological risk assessment for extrapolation from laboratory tests to the field, and also might help to develop correction factors that account for systematic differences in test results caused by species, life stage or test conditions. [Copyright &y& Elsevier]

Sintered tungsten–bronze is a new substitute for lead shot, and is about to be deposited in and around the wetlands of North America. This material contains copper in the alloyed form of bronze. This in vitro study was performed according to U. S. Fish and Wildlife Service criteria to determine the dissolution rate of copper from the shot, and to assess the toxic risk that it may present to aquatic organisms. The dissolution of copper from tungsten–bronze shot, pure copper shot, and glass beads was measured in a buffered, moderately hard, synthetic water of pH 5. 5, 6. 6, and 7. 8 over a 28-day period. The dissolution of copper from both the control copper shot and the tungsten–bronze shot was affected significantly by the pH of the water and the duration of dissolution (all p values<0. 000). The rate of copper release from tungsten bronze shot was 30 to 50 times lower than that from the copper shot, depending on pH (p <0. 0000). The observed expected environmental concentration of copper released from tungsten–bronze shot after 28 days was 0. 02 μg/L at pH 7. 8, and 0. 4 μg/L at pH 5. 6, using a loading and exposure scenario specific in a U. S. Fish and Wildlife Service protocol. Ratio Quotient values derived from the highest EEC observed in this study (0. 4 μg/L), and the copper toxic effect levels for all aquatic species listed in the U. S. Environmental Protection Agency ambient water quality criteria database, were all far less than the 0. 1 criterion value. Given the conditions stipulated by the U. S. Fish and Wildlife Service and the U. S. Environmental Protection Agency, heavy loading from discharged tungsten–bronze shot would not pose a toxic risk to potable water, or to soil. Consequently, it would appear that no toxic risks to aquatic organisms will attend the use of tungsten–bronze shot of the approved composition. Given the likelihood that sintered tungsten–bronze of the same formula will be used for fishing weights, bullets, and wheel balance weights, it is expected that the use of this new material in these applications will not be associated with toxic risks to aquatic life. [Copyright &y& Elsevier]

The history of the use of quantitative structure–activity relationships (QSARs) in toxicology, both for environmental, and human health effects is described. A particular emphasis is made on the science in response to the United States Toxic Substance Control Act of 1976. Specifically, the basic concepts and objectives of QSARs for toxicity are reviewed. QSARs for environmental and human health effects are discussed separately. Environmental, and more specifically, ecotoxicity, QSARs have focused historically on modeling congeneric series and non-specific effects in aquatic organisms through the use of the logarithm of the 1-octanol/water partition coefficient to describe hydrophobicity, and hence uptake. Compounds that do not fit these QSARs (namely the outliers) have been explained by differences in mechanism of acute toxicity, especially as a result of electro(nucleo)philic interactions. In light of this, mechanisms of acute toxicity are discussed. QSAR approaches to receptor-mediated effects, such as those exhibited by environmental estrogens, and competitive binding to the estrogen receptor, are different from those typically applied to model acute toxic endpoints. Several of these approaches, including three-dimensional QSAR techniques, are reviewed. Human health effects include both local and systemic effects. Local effects (e.g. corrosivity and skin sensitization) are often modeled by multivariate QSAR methods such as linear regression and discriminant analysis. The prediction of systemic effects such as mutagenesis and carcinogenesis requires consideration of the endpoint and a more mechanistic basis for modeling. Approaches to predict these endpoints include the use of expert systems. [Copyright &y& Elsevier]

This paper summarizes the historical and recent research on the aquatic toxicology and bioconcentration potential of tetrabromobisphenol A (TBBPA), a major flame retardant in electronics. Historical studies on TBBPA are presented in detail, and are compared with more recent research. The historical studies have not been published to date, though they were pivotal in regulatory assessments by the European Union, Canada, and the USA. These assessments have enabled the use of TBBPA as a flame retardant in electronic applications, to the present. The studies were conducted under a Test Rule by the US Environmental Protection Agency in 1987, and were sponsored by member companies of the North American Flame Retardants Alliance (NAFRA) through the American Chemistry Council. The studies were conducted under Good Laboratory Practice procedures, and include 6 acute toxicity tests of TBBPA with fish, invertebrates, algae, and microbes, eight chronic tests, and three bioconcentration studies with fish and invertebrates. Methods and empirical data for each study are detailed in an electronic supplement. Results of the NAFRA studies are compared with recent findings on TBBPA toxicity. Molluscan shell growth may be uniquely sensitive to TBBPA, more sensitive than chronic fish or crustacean toxicity endpoints. Several of the NAFRA studies and several independent studies have reported toxicities exceeding the empirical water solubility limits of TBBPA (in the range of 2.0 mg/L depending on pH). The validity of these results is discussed.