How much is the PBT Profiler being used? The PBT Profiler counts
user "hits" on the Home Page and the number of profiles run. Details.
Typographical errors on P2 Considerations page correctd
Major Enhancement - The PBT Profiler may return different hazard profiles compared to prior versions.
- ECOSAR estimates updated to version 1.1
- Following EPI modules updated to latest version
- Log Ocatanol/water partition coefficient
- Water solubility
- Henry's Law constant
- Atmospheric Oxidation Program
- Bioconcentration factor
- Melting point
- Boiling point
- EPA New Chemical Categories - updated human health categories and expanded module to include environmental toxicity categories.
- Bug fix for estimated VPs and HLCs of <1E-20. Now a value of 1E-20 is used in subsequent estimations and a value of <1E-12 is reported on the P2 considerations page.
The PBT Profiler was also moved to a new (faster) server
- Primary update: All estimation models updated to use the same methodology as employed in EPISuiteTM version 4.0 (and ECOSAR ver 1.0)
- Size of SMILES notation for chemicals that can be profiled increased from 120 to 260 characters
- Experimental lookup databaseses used in EPISuiteTM version 4.0 added. Experimental water solubility, melting point, and Henry’s Law constant retrieved if available and used in profile.
Experimental vapor pressures, if measured between 15 and 35 degrees C, also used in profile. Lookup based on structural match
- Minor updates to text throughout; including methodology page for ECOSAR chronic ChV discussion modified and updated
- Hyperlinks and contact information updated
- Characturistic Travel Distance (CTD) estimation removed from P2 considerations page
- Reordered pick list on usage page so profiles ran occurs first
- Database compatability issue that lead to occasional lock-up of the PBT Profiler resolved
- Chemical structures for pigments and dyes updated
- Lookup database for CAS Numbers expanded and updated to increase performance
- Spelling errors corrected
- EPIWINTM estimation modules updated to latest version
- Multi-User performance improved
Version 1.100 - Public Release of the PBT Profiler
- External Peer Review Completed. Reviewers comments incorporated
- Home and Results pages redesigned to enhance display
- Physical/chemical property estimates from EPIWINTM added to P2 Considerations page
- Routines to identify EPA's Chemical Categories added to flag chemicals that may have human health concerns
- New page describing the purpose of the PBT Profiler added
- Release scenarios on P2 Considerations page updated
- Chemicals that Can Not be Profiled page reformatted and expanded
- Results for the overall persistence estimates moved to the P2 Considerations page
- Toxicity section of P2 Considerations page expanded to include a link to ECOSARTM estimates for each chemical, information on chemical categories, persistent and bioaccumulative flags, and an enhanced discussion of interpreting the toxicity results
- Trap for chemicals with a molecular weight > 1,0000 added
- New chemical drawing program, ChemS3 added to data entry page
- Discussions on Methodology page updated for biodegradation rates (fresh vs. saline waters), use of the multi-media model, residence time, overall persistence, long-range transport, characteristic travel distance, migration to groundwater, temperature dependence,
-boiling point discussion removed
- Characteristic Travel Distance (CTD) and long-range transport discussions removed
- Methodology section expanded
- Text on numerous pages updated to reflect newest version
- Routines to URL encode SMILES string for structure display added
- Bug that shows B&W/color switch during metal flag fixxed
- Routines to add brackets to the SMILES string of Na and K salts added so
that user-entered salts display properly added
- Method to determine persistence updated.
The persistence ranking was modified to compare the half-life
in the medium (environmental compartment) a chemical was most
likely to be found in (water, soil or sediment) to the PBT Profiler
criteria. The multipliers used to determine the half-life in soil
and sediment (relative to that estimated in water by the ultimate survey
model ) were updated.
- Results page reformatted.
- Characteristic Travel Distance (CTD) added to Results page.
- Overall persistence from fugacity model added to Results page.
- Picture of the user-entered chemical structure added to Data Entry and Results page.
- Routines to view a structure based on a user-entered SMILES (before the chemical is added to
the list) added.
- Black-and-white version of the Data Entry and
Results pages added; descriptions and format added to Definitions and Interpreting the PBT
Profiler Results pages.
- The P2 Considerations page was expanded and
reformatted. This page now includes a discussion of the CTD,
provides information on different release scenarios, and
contains separate partitioning and transport sections.
- Bug that didn't transfer user-entered CAS from
drawing program fixed.
- Methodology, Definition, and Interpreting the PBT Profiler
Results pages expanded to include a discussion of changes and additions
- Routines to identify common inorganic chemicals
in the lookup database (and prevent them from being run in the Profiler)
- Discussion of chemical classes that should not be profiled was
expanded to include surfactants.
- Discussion of how the PBT Profiler does not explicitly consider
groundwater expanded on the P2 Considerations and Methodology
- Methodology and criteria sections expanded and rewritten.
- A multiple-chemical profile bug that caused the
no effects at saturation flag to be displayed incorrectly was fixed.
- Routines added to count the number of "hits" on the Home Page and the
number of profiles run. Users can view how often the PBT Profiler is used
and the computer code used to collect this information.
- Results page routines expanded to keep the PBT Profiler working when
the estimation methods give erratic results.
- Discussions why the persistence, bioaccumulation, or toxicity can not
be estimated were expanded (P2 considerations).
- Bug in displaying the colored arrows fixed (Data Entry)
- Fix for updating chemical name added (Data
Estimation routines and chemical details page updated to identify chemicals
that exceed the log octanol/water partition coefficient cutoff
for the aquatic toxicity SARs.
Version 0.900 released for testing
This version incorporates suggestions from the Beta testers as well as
other significant enhancements:
- Website redesigned to facilitate navigation
between all pages and keep the current profile active
- Pollution Prevention Considerations page added to
add chemical-specific perspective to the PBT Profiler results.
This discussion considers both a chemical's half-life and the
environmental compartment it is found in to identify P2 opportunities
- Home Page redesigned and informational
pages including a how to use the PBT Profiler, how to interpret the
results, and information needed added
- Data Entry screen redesigned and reprogrammed to
guide the user through the process
- Overall Persistence (from the fugacity model)
removed from the results page as this value provided a relative, not an
- Chemical drawing interface (experimental) added to facilitate
- Notes on how the PBT Profiler uses data entered
- Data Entry Help expanded to provide information
on the lookup function, SMILES notations, and ID numbers
- Example chemical page added to help users
familiarize themselves with the PBT Profiler
- Methodology page expanded to include validation
- Algorithm for identifying metals in user-entered
SMILES added to data entry page
- PBT Profiler completely reprogrammed to remove
the java-based object oriented scripting language that was not
functioning correctly on some local area networks.
- Routines for flagging known PBTs at data entry
||The first developmental version of the PBT Profiler, Version 0.88, Released
for Beta Testing to volunteers in academics, industry, and government. Beta test coordinated by
Ihab H. Farag, Sc.D., P.E.,
Robert C. Davison Professor,
University of New Hampshire. Director,
The New Hampshire Pollution Prevention Partnership