This ScienceHub dataset provides characterization data for a pooled sample of trout liver S9 fractions that was used to study the in vitro intrinsic clearance of selected cationic surfactants. These data describe the activity of the pooled sample toward prototypical substrates for cytochrome P450 (CYP) 1A, glutathione-S-transferase, and UDP-glucuronosyltranserase. Also provided are the protein content and total CYP content of the sample and well as information pertaining to the size and gender of fish from which the original sample was obtained. This dataset is associated with the following publication: Droge, S., J. Armitage, J. Arnot, P. Fitzsimmons, and J. Nichols. Biotransformation Potential of Cationic Surfactants in Fish Assessed with Rainbow Trout Liver S9 Fractions. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA, 40(11): 3123-3136, (2021).

The dataset, which is presented as an Excel spreadsheet, contains all data which is presented as figures in Nichols et al., Measurement of kinetic parameters for biotransformation of polycyclic aromatic hydrocarbons by trout liver S9 fractions: Implications for bioaccumulation assessment, accepted for publication in Applied In Vitro Toxicology 04/2017. Additional information if provided regarding reaction conditions used to characterize liver S9 fractions and perform PAH depletions studies. This dataset is associated with the following publication: Nichols, J., M. Ladd, and P. Fitzsimmons. Measurement of kinetic parameters for biotransformation of polycyclic aromatic hydrocarbons by trout liver S9 fractions: Implications for bioaccumulation assessment. Applied In Vitro Toxicology. Mary Ann Liebert, Inc., Larchmont, NY, USA, 4(4): 365-378, (2018).

The dataset, which is presented as an Excel spreadsheet, contains all data which is presented as figures in Nichols et al., Measurement of kinetic parameters for biotransformation of polycyclic aromatic hydrocarbons by trout liver S9 fractions: Implications for bioaccumulation assessment, accepted for publication in Applied In Vitro Toxicology 04/2017. Additional information if provided regarding reaction conditions used to characterize liver S9 fractions and perform PAH depletions studies. This dataset is associated with the following publication: Nichols, J., M. Ladd, and P. Fitzsimmons. Measurement of kinetic parameters for biotransformation of polycyclic aromatic hydrocarbons by trout liver S9 fractions: Implications for bioaccumulation assessment. Applied In Vitro Toxicology. Mary Ann Liebert, Inc., Larchmont, NY, USA, 4(4): 365-378, (2018).

The purpose of this study was to compare two in vitro systems, cryopreserved trout hepatocytes and trout liver S9 fractions, used to predict in vivo levels of biotransformation in fish. This information is needed to refine modeled estimates of bioaccumulation for hydrophobic organic chemicals that undergo biotransformation. In this effort we used trout hepatocytes to measure in vitro biotransformation of 6 polycyclic aromatic hydrocarbons (PAHs). The results were compared to metabolism rates reported previously for trout liver S9 fractions. Results obtained using both in vitro systems were then used to predict measured levels of hepatic clearance for the same test chemicals exhibited by isolated perfused livers. The results of this study suggest that both in vitro systems are well suited for performing in vitro-in vivo metabolism extrapolations with fish as a means for improving modeled bioaccumulation predictions. This dataset is associated with the following publication: Fay, K., P. Fitzsimmons, A. Hoffman, and J. Nichols. Comparison of trout hepatocytes and liver S9 fractions as in vitro models for predicting hepatic clearance in fish. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, FL, USA, 36(2): 463-471, (2017).

The purpose of this study was to compare two in vitro systems, cryopreserved trout hepatocytes and trout liver S9 fractions, used to predict in vivo levels of biotransformation in fish. This information is needed to refine modeled estimates of bioaccumulation for hydrophobic organic chemicals that undergo biotransformation. In this effort we used trout hepatocytes to measure in vitro biotransformation of 6 polycyclic aromatic hydrocarbons (PAHs). The results were compared to metabolism rates reported previously for trout liver S9 fractions. Results obtained using both in vitro systems were then used to predict measured levels of hepatic clearance for the same test chemicals exhibited by isolated perfused livers. The results of this study suggest that both in vitro systems are well suited for performing in vitro-in vivo metabolism extrapolations with fish as a means for improving modeled bioaccumulation predictions. This dataset is associated with the following publication: Fay, K., P. Fitzsimmons, A. Hoffman, and J. Nichols. Comparison of trout hepatocytes and liver S9 fractions as in vitro models for predicting hepatic clearance in fish. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, FL, USA, 36(2): 463-471, (2017).

This paper describes the results of an international ring trial (round robin study) of in vitro methods used to measure chemical biotransformation in fish. Researchers at six laboratories in the U.S. and Europe evaluated six test chemicals (cyclohexyl salicylate, fenthion, 4-n-nonylphenol, deltamethrin, methoxychlor, and pyrene) using two in vitro systems (liver S9 fraction and isolated hepatocytes) derived from rainbow trout livers. This information was then evaluated to quantitatively characterize assay reliability (repeatability and reproducibility) and evaluate potential user bias associated with the methods. Additional calculations were performed using established models to estimate in vivo levels of hepatic clearance and predict the effects on chemical biotransformation on chemical bioaccumulation. The Science Hub dataset includes all information presented in the paper as figures and tables including, as appropriate, individual values used to calculate reported means and standard deviations. Also included are all datasets provided as Supplementary Data. This dataset is associated with the following publication: Nichols, J., K. Fay, M.J. Bernhard, I. Bischof, J. Davis, M. Halder, J. Hu, K. Johanning, H. Laue, D. Nabb, C. Schlechtriem, H. Segner, J. Swintek, J. Weeks, and M. Embry. Reliability of In Vitro methods used to measure intrinsic clearance of hydrophobic organic chemicals by rainbow trout: Results of an international ring trial. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 164(2): 563-575, (2018).

This paper describes the results of an international ring trial (round robin study) of in vitro methods used to measure chemical biotransformation in fish. Researchers at six laboratories in the U.S. and Europe evaluated six test chemicals (cyclohexyl salicylate, fenthion, 4-n-nonylphenol, deltamethrin, methoxychlor, and pyrene) using two in vitro systems (liver S9 fraction and isolated hepatocytes) derived from rainbow trout livers. This information was then evaluated to quantitatively characterize assay reliability (repeatability and reproducibility) and evaluate potential user bias associated with the methods. Additional calculations were performed using established models to estimate in vivo levels of hepatic clearance and predict the effects on chemical biotransformation on chemical bioaccumulation. The Science Hub dataset includes all information presented in the paper as figures and tables including, as appropriate, individual values used to calculate reported means and standard deviations. Also included are all datasets provided as Supplementary Data. This dataset is associated with the following publication: Nichols, J., K. Fay, M.J. Bernhard, I. Bischof, J. Davis, M. Halder, J. Hu, K. Johanning, H. Laue, D. Nabb, C. Schlechtriem, H. Segner, J. Swintek, J. Weeks, and M. Embry. Reliability of In Vitro methods used to measure intrinsic clearance of hydrophobic organic chemicals by rainbow trout: Results of an international ring trial. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 164(2): 563-575, (2018).

Among the data required by the U.S. Food and Drug Administration (FDA) for approval of an aquaculture drug are the data that characterize the depletion of a drugs marker residue from the edible fillet tissue of fish after exposure. Eugenol is the marker residue for AQUI-S 20E, a product proposed for use as a sedative for fish.Rainbow trout (Onchorynchus mykiss; a representative cold water fish species) was exposed to AQUI-S 20E in water at a temperature of 9 C, a temperature that is representative of the lower range of temperatures where rainbow trout would be sedated. Eighty fish were exposed to a nominal AQUI-S 20E concentration of 100 mg/L for 60 min. Groups of 16 fish were sampled immediately after 60 min of exposure (the 0 min sample group), then at 15, 30, 90, and 150 min after the fish were transferred to fresh, flowing water. Skin-on fillets from each fish were analyzed for eugenol concentrations by using a FDA approved method for determining eugenol concentrations in fish fillet tissue. The method involved extracting eugenol from the tissue with acetonitrile, recovering eugenol from the tissue extract by using solid phase extraction techniques, and determining eugenol concentrations in the final extract by using high pressure liquid chromatography with absorbance detection techniques.Results indicated that maximum eugenol concentrations in the fillet tissue were measured immediately after the exposure (mean, 47.5 g/g). Eugenol concentrations decreased to 1.9 g/g by 150 min after the fish were transferred to fresh, flowing water. The depletion of eugenol from the fillet tissue was rapid (t1/2 = 31.7 min).

This Excel spreadsheet provides data that appear in Tables 1- 2 and Figures 1-4 of the main document, as well as data that appear in Figures S1-S3 of the Supplementary Information. This dataset is associated with the following publication: Nichols, J., M. Ladd, A. Hoffman, and P. Fitzsimmons. Biotransformation of polycyclic aromatic hydrocarbons by trout liver S9 fractions: Evaluation of competitive inhibition using a substrate depletion approach. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA, 38(12): 2729-2739, (2019).

This Excel spreadsheet provides data that appear in Tables 1- 2 and Figures 1-4 of the main document, as well as data that appear in Figures S1-S3 of the Supplementary Information. This dataset is associated with the following publication: Nichols, J., M. Ladd, A. Hoffman, and P. Fitzsimmons. Biotransformation of polycyclic aromatic hydrocarbons by trout liver S9 fractions: Evaluation of competitive inhibition using a substrate depletion approach. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA, 38(12): 2729-2739, (2019).