shinyssdtools: A web application for fitting Species Sensitivity Distributions (SSDs)

Dalgarno, Sebastian

doi:10.21105/joss.02848

Cited by 7 publications

(5 citation statements)

References 4 publications

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“…Application of in silico approaches to advance understanding of PFAS behavior and toxicity has potential implications for focusing criteria development on specific types of PFAS (e.g., compounds with higher bioaccumulation potential). Computational tools such as quantitative structure activity relationships and SSDs provide robust methods for integrating disparate and limited datasets (Dalgarno, 2021; Fox et al, 2020). Probabilistic risk assessment remains an underutilized tool for explicitly incorporating variability and uncertainty in criteria development and providing more complete information for risk management decision‐making (Barnhart et al, 2021; Tatum et al, 2015).…”

Section: Discussionmentioning

confidence: 99%

US and international per‐ and polyfluoroalkyl substances surface water quality criteria: A review of the status, challenges, and implications for use in chemical management and risk assessment

Ruffle¹,

Archer²,

Vosnakis³

et al. 2023

Integr Envir Assess & Manag

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Regulation of per‐ and polyfluorinated substances (PFAS) in surface water is a work‐in‐progress with relatively few criteria promulgated in the United States and internationally. Surface water quality criteria (SWQC) or screening values derived for perfluorooctane sulfonic acid (PFOS) and perfluorooctanoic acid (PFOA) by Australia, Canada, the European Union (EU), and four US states (Florida, Michigan, Minnesota, and Wisconsin), and the San Francisco Bay Regional Water Quality Control Board (SFB RWQCB; California) were compared. Across these eight jurisdictions, promulgated numeric criteria for the same compound and receptor span over five orders of magnitude as a result of different approaches and data interpretations. Human health criteria for PFOS range from 0.0047 to 600 ng/L depending on route of exposure (e.g., fish consumption or drinking water) and are lower than most ecological criteria for protection of aquatic and wildlife receptors. Data gaps and uncertainty in chronic toxicity and bioaccumulation of PFOS and PFOA, as well as the use of conservative assumptions regarding intake and exposure, have resulted in some criteria falling at or below ambient background concentrations and current analytical detection limits (around 1 ng/L for commercial laboratories). Some jurisdictions (e.g., Australia, Canada) have deemed uncertainty in quantifying water‐fish bioaccumulation too great and set fish tissue action levels in lieu of water criteria. Current dynamics associated with the emerging and evolving science of PFAS toxicity, exposure, and environmental fate (i.e., data gaps and uncertainty), as well as the continuous release of scientific updates, pose a challenge to setting regulatory limits. Integr Environ Assess Manag 2023;00:1–23. © 2023 AECOM Technical Services, Inc and The Authors. Integrated Environmental Assessment and Management published by Wiley Periodicals LLC on behalf of Society of Environmental Toxicology & Chemistry (SETAC).

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Section: Discussionmentioning

confidence: 99%

US and international per‐ and polyfluoroalkyl substances surface water quality criteria: A review of the status, challenges, and implications for use in chemical management and risk assessment

Ruffle¹,

Archer²,

Vosnakis³

et al. 2023

Integr Envir Assess & Manag

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“…Four software programs were used to fit SSDs for each data set: Burrlioz 2.0 (Barry & Henderson, 2014), MOSAIC (Charles et al, 2018), shinyssdtools version 0.1.1 (Dalgarno, 2021), and SSD Toolbox (using an unreleased beta version with slight modifications and bug fixes relative to the available version 1.0; Etterson, 2020a, 2020b).…”

Section: Methodsmentioning

confidence: 99%

Advantages of model averaging of species sensitivity distributions used for regulating produced water discharges

Binet

Golding

Adams

et al. 2023

Integr Envir Assess & Manag

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Produced water (PW) generated by Australian offshore oil and gas activities is typically discharged to the ocean after treatment. These complex mixtures of organic and inorganic compounds can pose significant environmental risk to receiving waters, if not managed appropriately. Oil and gas operators in Australia are required to demonstrate that environmental impacts of their activity are managed to levels that are as low as reasonably practicable (ALARP), e.g., through risk assessments comparing predicted no‐effect concentrations (PNEC) with predicted environmental concentrations (PEC) of PW. Probabilistic species sensitivity distribution (SSD) approaches are increasingly being used to derive PW PNECs and subsequently calculating the dilutions of PW (termed “safe” dilutions) required to protect a nominated percentage of species in the receiving environment (e.g., 95% or 99%, or PC95 and PC99, respectively). Limitations associated with SSDs include fitting a single model to small (6‐8 species) datasets, resulting in large uncertainty (very wide 95% confidence limits) in the region associated with PC99 and PC95 results. Recent advances in SSD methodology, in the form of model‐averaging, claim to overcome some of these limitations by applying the average model fit of multiple models to a dataset. We assessed the advantages and limitations of four different SSD software packages for determining PNEC values for five PWs from a gas/condensate platform off the North‐West Shelf of Australia. Model‐averaging reduced occurrences of extreme uncertainty around PC95 and PC99 values compared to single model fitting and was less prone to derivation of overly conservative PC99 and PC95 values that resulted from lack of fit to single models. Our results support the use of model‐averaging for improved robustness in derived PNEC and subsequent “safe” dilution values for PW discharge management and risk assessment. In addition, we present and discuss the toxicity of PW considering the paucity of such information in peer‐reviewed literature.

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“…Species sensitivity distributions (SSD) and fifth percentile concentrations were generated from published toxicity data for freshwater species and potassium ion. SSDs for both acute (short-term) LC/EC50 and chronic (long-term) no-effect and low-effect data were generated using the ssdtools shiny web app and the ssdtools software package in R. , SSDs contain all available data, without consideration of quality in order to provide an overview of available potassium toxicity data.…”

Section: Methodsmentioning

confidence: 99%

The Relative Toxicity of Road Salt Alternatives to Freshwater Mussels; Examining the Potential Risk of Eco-Friendly De-icing Products to Sensitive Aquatic Species

et al. 2021

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The negative impact of road salt on freshwater ecosystems has led to an interest in “eco-friendly” de-icing products. Biota, including freshwater mussels that have heightened salt sensitivity, would be expected to benefit from a transition to alternative de-icing products. However, it was unknown whether the alternatives themselves pose a risk. The toxicity of three road salt alternatives including a salt brine, a beet juice, and a brine–beet juice product were examined. Lampsilis fasciola glochidia (larvae) were exposed to dilutions (0–2%) of de-icing products. On a per volume basis, beet juice products were significantly more toxic than brine with 48 h EC50s (95% confidence intervals) as follows: brine, 0.42% (0.35–0.50%); beet juice, 0.020% (0.018–0.022%); and brine–beet juice, 0.034% (0.028–0.039%). Unlike brine, beet juice toxicity did not correspond with the concentration of chloride in the exposure. While elevated trace metals (Cu, Fe, Zn) and reduced water quality occurred in the 1% and 2% beet juice exposures, toxicity occurred at much lower dilutions (≤0.05%). The toxicity of beet juice products aligned with glochidia potassium EC50s. Based on toxicity and application rates, beet juice de-icing products pose more of a hazard to early life stage mussels than traditional products and could contribute substantial potassium to receiving environments.

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shinyssdtools: A web application for fitting Species Sensitivity Distributions (SSDs)

Cited by 7 publications

References 4 publications

US and international per‐ and polyfluoroalkyl substances surface water quality criteria: A review of the status, challenges, and implications for use in chemical management and risk assessment

US and international per‐ and polyfluoroalkyl substances surface water quality criteria: A review of the status, challenges, and implications for use in chemical management and risk assessment

Advantages of model averaging of species sensitivity distributions used for regulating produced water discharges

The Relative Toxicity of Road Salt Alternatives to Freshwater Mussels; Examining the Potential Risk of Eco-Friendly De-icing Products to Sensitive Aquatic Species

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