A weight‐of‐evidence (woe) approach for determining mode of action: an ecetoc case study

Thomas, Paul; Holt, Martin; Lemaire, Philippe; Malcomber, Ian; Salvito, D.; Thompson, Roy S.

doi:10.1002/ieam.5630040316

Cited by 2 publications

(1 citation statement)

References 9 publications

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“…Additionally, since pesticides and plant protection products were not registered under REACH, data for these substances were largely obtained from the U.S. EPA Ecotox Database (, retrieved October 2011). Other data were taken directly from peer-reviewed publications; , Thomas et al and other sources. − …”

Section: Data Compilation and Data Quality Assessmentmentioning

confidence: 99%

Application of the Activity Framework for Assessing Aquatic Ecotoxicology Data for Organic Chemicals

Thomas¹,

Dawick

Lampi

et al. 2015

Environ. Sci. Technol.

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Toxicological research in the 1930s gave the first indications of the link between narcotic toxicity and the chemical activity of organic chemicals. More recently, chemical activity has been proposed as a novel exposure parameter that describes the fraction of saturation and that quantifies the potential for partitioning and diffusive uptake. In the present study, more than 2000 acute and chronic algal, aquatic invertebrates and fish toxicity data, as well as water solubility and melting point values, were collected from a series of sources. The data were critically reviewed and grouped by mode of action (MoA). We considered 660 toxicity data to be of acceptable quality. The 328 data which applied to the 72 substances identified as MoA 1 were then evaluated within the activity-toxicity framework: EC50 and LC50 values for all three taxa correlated generally well with (subcooled) liquid solubilities. Acute toxicity was typically exerted within the chemical activity range of 0.01-0.1, whereas chronic toxicity was exerted in the range of 0.001-0.01. These results confirm that chemical activity has the potential to contribute to the determination, interpretation and prediction of toxicity to aquatic organisms. It also has the potential to enhance regulation of organic chemicals by linking results from laboratory tests, monitoring and modeling programs. The framework can provide an additional line of evidence for assessing aquatic toxicity, for improving the design of toxicity tests, reducing animal usage and addressing chemical mixtures.

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Section: Data Compilation and Data Quality Assessmentmentioning

confidence: 99%

Application of the Activity Framework for Assessing Aquatic Ecotoxicology Data for Organic Chemicals

Thomas¹,

Dawick

Lampi

et al. 2015

Environ. Sci. Technol.

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Macrocyclic fragrance materials—A screening-level environmental assessment using chemical categorization

Salvito

Lapczynski

Sachse-Vasquez

et al. 2011

Ecotoxicology and Environmental Safety

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A screening-level aquatic environmental risk assessment for macrocyclic fragrance materials using a "group approach" is presented using data for 30 macrocyclic fragrance ingredients. In this group approach, conservative estimates of environmental exposure and ecotoxicological effects thresholds for compounds within two subgroups (15 macrocyclic ketones and 15 macrocyclic lactones/lactides) were used to estimate the aquatic ecological risk potential for these subgroups. It is reasonable to separate these fragrance materials into the two subgroups based on the likely metabolic pathway required for biodegradation and on expected different ecotoxicological modes of action. The current volumes of use for the macrocyclic ketones in both Europe and North America ranges from <1 (low kg quantities) to no greater than 50 metric tonnes in either region and for macrocyclic lactones/lactides the volume of use range for both regions is <1 to no greater than 1000 metric tonnes in any one region. Based on these regional tonnages, biodegradability of these two subgroups of materials, and minimal in stream dilution (3:1), the conservatively predicted exposure concentrations for macrocyclic ketones would range from <0.01 to 0.05 μg/L in Europe and from <0.01 to 0.03 μg/L in North America. For macrocyclic lactones/lactides, the concentration within the mixing zone would range from <0.01 to 0.7 μg/L in Europe and from <0.01 to 1.0 μg/L in North America. The PNECs derived for the macrocyclic ketones is 0.22 μg/L and for macrocyclic lactones/lactides is 2.7 μg/L. The results of this screening-level aquatic ecological risk assessment indicate that at their current tonnage, often referred to as volumes of use, macrocyclic fragrance materials in Europe and North America, pose a negligible risk to aquatic biota; with no PEC/PNEC ratio exceeding 1 for any material in any subgroup.

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A weight‐of‐evidence (woe) approach for determining mode of action: an ecetoc case study

Cited by 2 publications

References 9 publications

Application of the Activity Framework for Assessing Aquatic Ecotoxicology Data for Organic Chemicals

Application of the Activity Framework for Assessing Aquatic Ecotoxicology Data for Organic Chemicals

Macrocyclic fragrance materials—A screening-level environmental assessment using chemical categorization

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