Data used to create Figure 2 through 9 in the paper. Where appropriate raw data are also included. Each figure is in a separate worksheet. Also included are the daily and running averages of the three 30-year exposure time-series. This dataset is associated with the following publication: Thursby, G., K. Sappington, and M. Etterson. Coupling Toxicokinetic-Toxicodynamic and Population Models for Assessing Aquatic Ecological Risks to Time-Varying Pesticide Exposures. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA, 37(10): 2633-2644, (2018).

Chemical concentrations, exposures, health risks by census tract for the United States from National Scale Air Toxics Assessment (NATA). This dataset is associated with the following publication: Huang, H., and T. Barzyk. Connecting the Dots: Linking Environmental Justice Indicators to Daily Dose Model Estimates. International Journal of Environmental Research and Public Health. Molecular Diversity Preservation International, Basel, SWITZERLAND, 14(1): 1-15, (2017).

This dataset includes a subset of previously released pesticide data (Morace and others, 2020) from the U.S. Geological Survey (USGS) National Water Quality Assessment Program (NAWQA) Regional Stream Quality Assessment (RSQA) project and the corresponding hazard index results calculated using the R package toxEval, which are relevant to Mahler and others, 2020. Pesticide and transformation products were analyzed at the USGS National Water Quality Laboratory in Denver, Colorado. Files are grouped as pesticides (parent compounds), transformation products (degradate compounds), compounds with no Acute Invertebrate (AI) benchmarks, compounds with no Acute Non-Vascular Plant (ANVP) benchmarks, and compounds not evaluated through the toxEval R program. See Morace and others, 2020 for corresponding quality assurance or quality control data.

This dataset shows the effects of eight herbicides (detected in Great Barrier Reef catchments) on the specific growth rates (from cell density data) of the microalgae Tetraselmis sp. during laboratory experiments conducted in 2019. The aim of this project was to apply standard ecotoxicology protocols to determine the effects of Photosystem II (PSII) and alternative herbicides on the growth of the marine microalgae Tetraselmis sp. Growth bioassays were performed over 3-day exposures using pesticides that have been detected in the Great Barrier Reef catchment area (O’Brien et al. 2016). These toxicity data will enable improved assessment of the risks posed by PSII and alternative herbicides to microalgae for both regulatory purposes and for comparison with other taxa. Methods: The chlorophyte Tetraselmis sp. (strain CS-317) was purchased from the Australian National Algae Supply Service, Hobart (CSIRO). Cultures of Tetraselmis sp. were established in EDTA-free Guillard’s f/2 marine medium (Guillard and Ryther 1962) (1 ml L-1 of f/2 medium in autoclaved natural seawater). Cultures were maintained in sterile 500 ml Erlenmeyer flasks as batch cultures in exponential growth phase with weekly aseptically transfers of 10 ml Tetraselmis sp. suspension to 300 ml f/2 medium. Culture were maintained at 28 ± 1°C, 33 ± 1.5 psu and under a 12:12 h light:dark cycle (80 – 100 µmol photons m–2 s–1). Pesticide stock solutions were prepared using PESTANAL (Merck) analytical grade products (purity greater than or equal to 98%): diuron (CAS 330-54-1), metribuzin (CAS 21087-64-9), tebuthiuron (CAS 34014-18-1), bromacil (CAS 314-40-9), propazine (CAS 139-40-2), simazine (122-34-9), imazapic (CAS 104098-48-8) and haloxyfop-p-methyl (CAS 72619-32-0). The selection of pesticides was based on application rates and detection in coastal waters of the GBR (Grant et al. 2017, O’Brien et al. 2016). Pesticide stock solutions (100 – 1,000 mg L-1) were prepared by dissolving aliquots of the pure compounds in ultrapure water using clean, acid-washed (5% nitric acid) glass screw-top containers. Simazine, tebuthiuron and haloxyfop-p-methyl were dissolved using the carrier dimethyl sulfoxide (DMSO) (less than or equal to 0.02 % (v/v) in exposure solutions). Diuron, imazapic, metribuzin, bromacil and propazine were dissolved in acetone (less than or equal to 0.01 % (v/v) in exposure). Stock solutions were stored refrigerated and in the dark. Test protocols were based on previously published methods (Trenfield et al. 2015, OECD, 2011). Cultures of Tetraselmis sp were exposed to increasing concentrations of individual pesticides over a period of 72 h. Inoculum was taken from cultures in exponential growth phase (5-d old culture) and starting cell density assessed using a haemocytometer. For each treatment, a total volume of 250 mL test media was prepared in a clean, acid-washed 500 mL Schott bottle. Test media consisted of filtered (0.45 µm) seawater spiked with the respective pesticide stock, quarter strength EDTA-free f/2 media as nutrient source and Tetraselmis sp at a starting density of 2.5x103 cells mL-1. In each toxicity test, the response (specific growth rate of the culture) of the treatments exposed to pesticide were assessed against a seawater control group (no herbicide). For each test, 2 – 3 replicate 125 mL Erlenmeyer flasks (50 mL test volume) were assessed. Flasks were incubated at 27 – 29.0°C under a 12:12 h light:dark cycle (80 – 100 µmol photons m–2 s–1). After 72h, sub-samples (7 ml) were taken from each flask and cell densities measured using a flow cytometer (BD Accuri C6, BD Biosciences, CA, USA). Specific growth rates (SGR) were expressed as the logarithmic increase in cell density from day i (ti) to day j (tj) as per equation (1), where SGRi-j is the specific growth rate from time i to j; Xj is the cell density at day j and Xi is the cell density at day i 6. SGR i-j = [(ln Xj - ln Xi )/(tj - ti )] (day-1) (1) (1) Mean SGR for a pesticide

Chemical concentration, exposure, and health risk data for U.S. census tracts from National Scale Air Toxics Assessment (NATA). This dataset is associated with the following publication: Huang, H., R. Tornero-Velez, and T. Barzyk. Associations between socio-demographic characteristics and chemical concentrations contributing to cumulative exposures in the United States. Journal of Exposure Science and Environmental Epidemiology. Nature Publishing Group, London, UK, 27(6): 544-550, (2017).

We describe screening level estimates of potential aquatic toxicity posed by 227 chemical analytes that were measured in 25 ambient water samples collected as part of a joint USGS/USEPA drinking water plant study. Measured concentrations were compared to biological effect concentration (EC) estimates, including USEPA aquatic life criteria, effective plasma concentrations of pharmaceuticals, published toxicity data summarized in the USEPA ECOTOX database, and chemical structure-based predictions. Potential dietary exposures were estimated using a generic 3-tiered food web accumulation scenario. This dataset is associated with the following publication: Kostich , M., R. Flick , A. Batt , H. Mash , S. Boone , E. Furlong, D. Kolpin, and S. Glassmeyer. Aquatic concentrations of chemical analytes compared to ecotoxicity estimates. SCIENCE OF THE TOTAL ENVIRONMENT. Elsevier BV, AMSTERDAM, NETHERLANDS, 579: 1649-1657, (2017).

In vitro biological activity data from a extracts of a nationwide survey of US streams. This dataset is associated with the following publication: Blackwell, B., G. Ankley, P. Bradley, K. Houck, S.S. Makarov, A. Medvedev, J. Swintek, and D. Villeneuve. Potential toxicity of complex mixtures in surface waters from a nationwide survey of United States streams: Identifying in vitro bioactivities and causative chemicals. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 53(2): 973-983, (2019).

This dataset shows the effects of herbicides and one fungicide (detected in Great Barrier Reef catchments) on the specific growth rates (from cell density data) of the microalgae Tisochrysis lutea during laboratory experiments conducted from 2018-2019. The aim of this project was to apply standard ecotoxicology protocols to determine the effects of Photosystem II (PSII), alternative herbicides and one fungicide on the growth of the marine microalgae Tisochrysis lutea. Growth bioassays were performed over 3-day exposures using pesticides that have been detected in the Great Barrier Reef catchment area (O'Brien et al., 2016). These toxicity data will enable improved assessment of the risks posed by PSII and alternative herbicides as well as the fungicide propiconazole to microalgae for both regulatory purposes and for comparison with other taxa. Methods: The haptophyte Tisochrysis lutea (formerly known as Isochrysis galbana)(Grant etal. 2017) (strain CS-177) was purchased from the Australian National Algae Supply Service, Hobart (CSIRO). Cultures of T. lutea were established in EDTA-free Guillard’s f/2 marine medium (Trenfield et al. 2015) (1 ml L-1 of f/2 medium in autoclaved natural seawater). Cultures were maintained in sterile 500 ml Erlenmeyer flasks as batch cultures in exponential growth phase with weekly aseptically transfers of 10 ml T. lutea suspension to 300 ml f/2 medium. Culture were maintained at 28 ± 1°C, 33 ± 1.5 psu and under a 12:12 h light:dark cycle (80 – 100 µmol photons m–2 s–1). Pesticide stock solutions were prepared using PESTANAL (Merck) analytical grade products (purity greater than or equal to 98%): diuron (CAS 330-54-1), metribuzin (CAS 21087-64-9), tebuthiuron (CAS 34014-18-1), bromacil (CAS 314-40-9), propazine (CAS 139-40-2), simazine (122-34-9), imazapic (CAS 104098-48-8), haloxyfop-p-methyl (CAS 72619-32-0), 2,4-D (CAS 94-75-7), MCPA (CAS 94-74-6), fluroxypyr (CAS 69377-81-7) and propiconazole (CAS 60207-90-1). The selection of pesticides was based on application rates and detection in coastal waters of the GBR (Grant et al. 2017, O’Brien et al. 2016). Pesticide stock solutions (100 – 1,000 mg L-1) were prepared by dissolving aliquots of the pure compounds in ultrapure water using clean, acid-washed (5% nitric acid) glass screw-top containers. Simazine, tebuthiuron and haloxyfop-p-methyl were dissolved using the carrier dimethyl sulfoxide (DMSO) (less than or equal to 0.02 % (v/v) in exposure solutions). Diuron, imazapic, metribuzin, bromacil, 2,4-D, propazine, MCPA, fluroxypyr and propiconazole were dissolved in acetone (less than or equal to 0.01 % (v/v) in exposure). Stock solutions were stored refrigerated and in the dark. Tests were conducted as previously described (Trenfield et al. 2015). Cultures of T. lutea were exposed to increasing concentrations of individual pesticides over a period of 72 h. Inoculum was taken from cultures in exponential growth phase (4-d old culture) and starting cell density assessed using a haemocytometer. For each treatment, a total volume of 250 mL test media was prepared in a clean, acid-washed 500 mL Schott bottle. Test media consisted of filtered (0.45 µm) seawater spiked with the respective pesticide stock, quarter strength EDTA-free f/2 media as nutrient source and T. lutea at a starting density of 3x103 or 1x104 cells mL-1. In each toxicity test, the response (specific growth rate of the culture) of the treatments exposed to pesticide were assessed against a seawater control group (no herbicide). For each test, 2 – 3 replicate 125 mL Erlenmeyer flasks (50 mL test volume) were assessed. Flasks were incubated at 27 – 29.0°C under a 12:12 h light:dark cycle (80 – 100 µmol photons m–2 s–1). After 72h, sub-samples (7 ml) were taken from each flask and cell densities measured using a flow cytometer (BD Accuri C6, BD Biosciences, CA, USA). Specific growth rates (SGR) were expressed as the logarithmic increase in cell density from day i (ti) to day j (tj) as per

Over 50 land-sourced pesticides have been detected in waters of the Great Barrier Reef (GBR) and its catchments. Previous studies on the risks posed by pesticides have focused on five priority PSII herbicides. However, other pesticides are increasingly being used, for which there are few fate, persistence and toxicity data. In order to improve water quality guidelines and assessments of the potential risks posed by these “alternate” pesticides to GBR and its catchments we will quantify their toxicity to freshwater and marine species.

This dataset shows the measured response of the photosystems of seagrasses to herbicides in experiments conducted in 2012-2013. The data is provided as a multi-sheet spreadsheet. The aim of this study was to apply standard ecotoxicology protocols to quantify the concentrations of four priority PSII herbicides that inhibit photochemistry by 10, 20 and 50% (IC10, IC20 and IC50) over 72 hrs in two common seagrass species from the GBR lagoon. This data will enable improved assessment of the risks posed by PSII herbicides to tropical seagrass for both regulatory purposes and for comparison with other taxa. Methods: Four seagrass species (H. uninervis, C. rotundata, T. hemprichii and Z. muelleri) were used in preliminary studies to determine the time taken for PSII herbicides to affect photosynthesis, while more detailed ecotoxicology studies were undertaken with two of these species (H. uninervis and Z. muelleri). H. uninervis, C. rotundata and T. hemprichii were collected from intertidal seagrass meadows (<1 m) from Cockle Bay, Magnetic Island (19°10.88’ S, 146°50.63’ E) while Z. muelleri was collected from Pelican Banks, Gladstone, Australia (23°46.005’ S, 151°18.052’ E). Halodule uninervis, Cymodocea rotundata Ascherson (Cymodoceaceae) and Thalassia hemprichii Ascherson (Hydrocharitaceae) are tropical seagrass species widely distributed throughout the Indo-West Pacific while Zostera muelleri Irmisch ex Ascherson (Zosteraceae), (syn Zostera capricorni) is a tropical to temperate species found in Australia and New Zealand. Potted seagrasses were exposed to dissolved herbicides in static-replacement seawater (24 h water changes). All experiments were conducted under 273 ± 17 µmol photons m-2 s-1 (12h light:dark photoperiods, Aqua Illumination LED). This light intensity was chosen as the median daily irradiance at the Magnetic Island collection site. The glass aquaria were placed into water baths and maintained at 25.8 ± 0.3°C (range), equivalent to the annual average temperature in the GBR. Herbicide concentrations ranged from 0.1 to 300 µg herbicide l-1 depending on the potency of the herbicide. Duplicate tanks were used for each herbicide concentration and each tank contained individually potted seagrass plant of each species. Inhibition of photosynthesis was measured after 72 h exposure using pulse amplitude modulation (PAM) fluorometry. Two parameters were measured (effective quantum yield, deltaF/F’m and maximum quantum yield, Fv/Fm). The inhibition of photosynthetic yields relative to controls were plotted as dose-response curves by fitting inhibition data with measured concentrations using a 4 parameter logistic model (SigmaPlot 11). The herbicide inhibition concentrations (ICxx) that inhibited deltaF/F’m and Fv/Fm by 10, 20 and 50% (IC10, IC20 and IC50, respectively) were determined from each curve. Initially a series of pilot studies were performed to measure the time it takes for the four PSII herbicides to illicit 90% steady state (maximum) inhibition of effective quantum yield (deltaF/F’m) in Z. muelleri at single herbicide concentrations. These findings were used to ensure that the exposure duration of later dose-response curves was sufficient. The nominal herbicide concentrations used were 10 µg l-1 Diuron, 50 µg l-1 Atrazine, 10 µg l-1 Hexazinone and 400 µg l-1 Tebuthiuron. This data can be found in the “Kinetics” worksheet. We also exposed all four species of seagrass to 10 µg l-1 Diuron to examine the consistency of response times between species. Inhibition of deltaF/F’m by the herbicides compared with carrier controls were conducted at multiple times up to 24 h. This data can be found in the “4 seagrasses at Diuron 10ug_L” worksheet. Further information can be found in this publication: Flores F, Collier CJ, Mercurio P, Negri AP (2013) Phytotoxicity of Four Photosystem II Herbicides to Tropical Seagrasses. PLoS ONE 8(9): e75798. doi: 10.1371/journal.pone.0075798 Format: