DATABASES
The downloadable materials included on this website are provided to interested parties at no cost; however, to download any material you need to first request a password by completing a form with your name, e-mail address and affiliation. The registration information provides us with contact information so that we can send notifications for database updates. The databases are updated occasionally to address potential errors and “bugs in the code” and to reflect scientific advancements.
The most recent versions of the databases are most relevant since they include updates and possibly corrections to previous versions. Users are strongly encouraged to read the associated papers listed with the models and the “help” and “about” information accompanying the models (when included) before using them. Excel spreadsheets are expected to work using Microsoft Office or other similar programs (Note: Visual Basic for Applications support is often required).
For more information about these databases please contact Jon Arnot.
The Excel spreadsheet models and databases are expected to work using Microsoft Office or other similar programs (Note: Visual Basic for Applications support is often required).
DATABASE REQUEST FORM
The databases below require a registration for access. Please fill out the form and select the database you have interest in.
Fish BCF and BAF database
This database is the result of a review of 392 scientific papers and publicly available bioaccumulation data sources and includes 5,317 BCFs and 1,656 BAFs measured for 842 organic chemicals in 219 aquatic species. The data were subject to a data quality evaluation and scoring method.
Details about the database and the data quality assessment method are available in the following publication:
– Arnot JA, Gobas FAPC. 2006. A review of bioconcentration factor (BCF) and bioaccumulation factor (BAF) assessments for organic chemicals in aquatic organisms. Environ Rev 14: 257-297.
Fish biotransformation rate constant (kM) database
More than 5,400 bioaccumulation measurements in fish for more than 1,000 organic chemicals were critically reviewed to compile a database of 1,535 kM estimates for 702 organic chemicals. Biotransformation rates range over six orders of magnitude across a diverse domain of chemical classes and structures. Screening-level uncertainty analyses provide guidance for the selection and interpretation of kM values.
Details about the database are available in the following publication:
– Arnot JA, Mackay D, Parkerton TF, Bonnell M. 2008. A database of fish biotransformation rates for organic chemicals. Environ Toxicol Chem 27(11): 2263-2270.
Human Whole-Body Total Elimination and Biotransformation Half-life Database
The whole body, total elimination half-life (HLT) and the whole body, primary biotransformation half-life (HLB) are key parameters determining the extent of bioaccumulation, biological concentration, and risk from chemical exposure. A one-compartment physiologically-based pharmacokinetic (PBPK) mass balance model was developed to estimate organic chemical HLB from measured HLT data in mammals. Approximately 1,900 HLs for human adults were collected and reviewed and the PBPK model was parametrized for an adult human to calculate HLB from HLT. The databases have been used to develop and validate QSARs for predicting HLB and HLT from chemical structure. These databases are included in the OECD QSAR Toolbox. Full details of the database development methods are available here:
– Arnot, J. A.; Brown, T. N.; Wania, F. 2014. Estimating screening-level organic chemical half-lives in humans. Environ. Sci. Technol. 48, (1), 723–730.
Fish Dietary Bioaccumulation and Toxicokinetics Database
A database of 3,032 measurement end points for 477 discrete organic chemicals including 964 half-lives, 1,199 absorption efficiencies and 869 biomagnification factors from 19 species (primarily trout and carp) was developed from the literature. Biological properties (e.g., organism weight, lipid content) and exposure conditions (e.g., temperature, feeding rate, dietary lipid content, exposure duration) are documented. Data confidence assessment methods were developed and applied to the database.
Details about the database are available in the following publication:
– Arnot, J. A.; Quinn, C. L. 2015. Development and evaluation of a database of dietary bioaccumulation test data for organic chemicals in fish. Environ. Sci. Technol. 49, (8), 4783-96. DOI: 10.1021/es506251q
Plant Bioaccumulation Database
More than 350 articles were reviewed to develop a database with 7,049 entries of measured bioaccumulation data (e.g., bioconcentration factors, root concentration factors, transpiration stream concentration factors) for 310 organic chemicals and 112 terrestrial plant species. Various experimental approaches have been used to obtain these bioaccumulation metrics; therefore, interstudy comparisons and data-quality evaluations are difficult. Key exposure and plant growth conditions were often missing, and units were often unclear or not reported. Data confidence assessment methods were developed and applied to the database.
Details about the database are available in the following publication:
– Doucette, W. J.; Shunthirasingham, C.; Dettenmaier, E. M.; Zaleski, R. T.; Fantke, P.; Arnot, J. A. 2018. A review of measured bioaccumulation data on terrestrial plants for organic chemicals: Metrics, variability, and the need for standardized measurement protocols. Environ. Toxicol. Chem. 37, (1), 21-33.
Limitations of liability and disclaimer of warranty
Users assume the entire risk as to the results and performance of the models and databases. ARC Arnot Research & Consulting Inc. and all associated collaborators are not liable under any circumstances, for any damages whatsoever, arising out of the use, or the inability to use, the models and databases provided, even if advised of the possibility of such damages.