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).

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).

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).

This dataset illustrates relationships between body weight and hepatic phase I and phase II metabolic activity in rainbow trout. This dataset is associated with the following publication: Fitzsimmons, P., A. Hoffman, K. Fay, and J. Nichols. Allometric scaling of hepatic biotransformation in rainbow trout.. COMPARATIVE BIOCHEMISTRY AND PHYSIOLOGY PART C: TOXICOLOGY & PHARMACOLOGY. Elsevier Science Ltd, New York, NY, USA, 214: 52-60, (2018).

This dataset illustrates relationships between body weight and hepatic phase I and phase II metabolic activity in rainbow trout. This dataset is associated with the following publication: Fitzsimmons, P., A. Hoffman, K. Fay, and J. Nichols. Allometric scaling of hepatic biotransformation in rainbow trout.. COMPARATIVE BIOCHEMISTRY AND PHYSIOLOGY PART C: TOXICOLOGY & PHARMACOLOGY. Elsevier Science Ltd, New York, NY, USA, 214: 52-60, (2018).

This dataset provides measured in vitro intrinsic clearance rates for 54 chemicals tested using isolated hepatocytes from humans, rats, and rainbow trout. The test chemicals were selected to provide broad coverage across the industrial and pesticidal chemical space while also prioritizing chemicals of interest to EPA’s Endocrine Disruptor Screening Program (EDSP). A data evaluation framework was developed to identify results suitable for rate reporting. Acceptable results were then used to evaluate the chemical domain of applicability of the applied methods, the influence of starting substrate concentration on measured rates of intrinsic clearance, and differences in metabolic activity among species. These findings provide data for chemicals of specific interest to the EDSP. More importantly, the results provide critical guidance on future use of in vitro biotransformation assays to support high-throughput chemical risks assessments. This dataset is associated with the following publication: Black, S., J. Nichols, K. Fay, S. Matten, and S. Lynn. Evaluation and comparison of in vitro intrinsic hepatic clearance rates measured using cryopreserved hepatocytes from humans, rats, and rainbow trout. TOXICOLOGY. Elsevier Science Ltd, New York, NY, USA, 457: 152819, (2021).

This dataset provides measured in vitro intrinsic clearance rates for 54 chemicals tested using isolated hepatocytes from humans, rats, and rainbow trout. The test chemicals were selected to provide broad coverage across the industrial and pesticidal chemical space while also prioritizing chemicals of interest to EPA’s Endocrine Disruptor Screening Program (EDSP). A data evaluation framework was developed to identify results suitable for rate reporting. Acceptable results were then used to evaluate the chemical domain of applicability of the applied methods, the influence of starting substrate concentration on measured rates of intrinsic clearance, and differences in metabolic activity among species. These findings provide data for chemicals of specific interest to the EDSP. More importantly, the results provide critical guidance on future use of in vitro biotransformation assays to support high-throughput chemical risks assessments. This dataset is associated with the following publication: Black, S., J. Nichols, K. Fay, S. Matten, and S. Lynn. Evaluation and comparison of in vitro intrinsic hepatic clearance rates measured using cryopreserved hepatocytes from humans, rats, and rainbow trout. TOXICOLOGY. Elsevier Science Ltd, New York, NY, USA, 457: 152819, (2021).

This dataset, presented as an Excel spreadsheet, contains all data presented as figures and tables in an article by Nichols et al, entitled "In vitro-in vivo extrapolation of hepatic biotransformation data for fish. III. An in-depth case study with pyrene" and published in Environmental Toxicology and Chemistry, 2023. The dataset describes results from a paired set of experiments designed to evaluate the accuracy of in vitro to in vivo metabolism extrapolation procedures for fish. Results showed that measured rates of in vitro intrinsic clearance, when extrapolated to the whole liver, underestimated apparent rates of in vivo activity by about a factor of 4 (assuming the liver is the only site of biotransformation). These findings may have important implications for the use of IVIVE methods in bioaccumulation assessments for fish. This dataset is associated with the following publication: Nichols, J., P. Fitzsimmons, A. Hoffman, and K. Wong. In vitro-in vivo extrapolation of hepatic biotransformation data for fish. III. An in-depth case study with pyrene. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA, 42(7): 1501-1515, (2023).

This publication provides an optimized UGT assay for trout liver S9 fractions which can be used to perform in vitro-in vivo extrapolations of measured UGT activity. This dataset is associated with the following publication: Ladd, M., P. Fitzsimmons , and J. Nichols. Optimization of a UDP-glucuronosyltransferase assay for trout liver S9 fractions: Activity enhancement by alamethicin, a pore-forming peptide. XENOBIOTICA. Taylor & Francis, Inc., Philadelphia, PA, USA, 46(12): 1066-1075, (2016).

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).