Chemistry Reference
In-Depth Information
7.2.4 e
uropeAn
c
HemicAls
A
Gency
(ecHA)
The European Chemicals Agency's metal-specific tools were presented to a February 2,
tool_use_communication_d2_lrws_20120203_en.pdf
)
. While the tools did not
include QSARs, appendix R.7.13-2: Environmental risk assessment for metals and
metal compounds, discusses the possible use of QSARs for predicting the toxicity
requirements_r7_13_2_en.pdf
)
. The following quote is from page 41:
The development of QSAR methods for metals and inorganic metal compounds
has not been as actively pursued as for organic substances. However, for some inor-
ganic substances, predicting toxicity from chemical properties may be relevant.
In this respect, Quantitative Ion Character-Activity Relationships (QICARs) and
Quantitative Cationic-Activity Relationships (QCARs) have recently been devel-
oped (Ownby and Newman 2003, Walker et al. 2003). More research efforts are
needed in this field, however, in order to develop and validate appropriate models.
7.3 FUTURE CONSIDERATIONS
Table 5.1 listed 97 QCARs for predicting cation toxicities and Table 5.4 listed 183
QCARs for predicting cation bioconcentration potential, biosorption capacity, bind-
ing strength, and toxicity. Moreover, Chapter 8 describes how to construct QSARs
for metal ions. Between the QSARs listed in Tables 5.1 and 5.4 and the instructions
provided in Chapter 8, it should now be possible for regulatory organizations to
consider using QSARs to predict the toxicity of metal ions. Similar methods can
be used to construct QSARs for bioactive organometallic complexes using certain
descriptors presented in Chapter 4.
REFERENCES
ACGIH (American Conference of Governmental Industrial Hygienists). 2009. TLVs
®
and
BEIs®: Based on the Documentation of Threshold Limit Values for Chemical Substances
and Physical Agents and Biological Exposure Indices. Cincinnati, OH: ACGIH.
AIHA (American Industrial Hygiene Association). 2009. Emergency Response Planning
Guidelines (ERPGs). American Industrial Hygiene Association, Fairfax, VA,
http://
DOT (US Department of Transportation). 2009. Hazardous Materials Table, 49 C.F.R.
172.101,
http://www.access.gpo.gov/nara/cfr/waisidx_04/49cfr172_04.html
(accessed
September 23, 2010).
Environment Canada. 2009. National Pollutant Release Inventory (NPRI) Databases. Gatineau,
Gauthier J., M. Eggleton, Y. Couillard, J. Hill, O. Marois, and A. Gosselin. 2009.
Environment Canada's assessment activities on metals under the Chemical
Management Plan. Presentation to the Society of Environmental Chemistry and
Toxicology. New Orleans, LA.
Hickey, J.P. 2005. Estimation of inorganic species aquatic toxicity. In: Techniques in Aquatic
Toxicology: Volume 2. G.K. Ostrander (Ed). CRC Press/Lewis Publishers, Boca Raton,
FL.Ch. 34. pp. 617-629.
