Chemistry Reference
In-Depth Information
TABLE 5.18
QCARs for Predicting Cation Toxicity and Bioconcentration Factors for
the Mussels,
Mytilis
edulis
and
Perna viridis
Using the Covalent Radius,
Logarithm of the First Hydrolysis Constant, Pearson and Mawby Softness
Parameter, and the Ionic Index
Species
Test Substance(s)
QCARs
r
2
SE
p
n
LogLC
50
= 2.8
-
0.7
X
r
Mytilis
edulis
Ag
+
, Cd
2+
, Cu
2+
, Hg
2+
, Zn
2+
0.79
0.05
0.31
0.42
0.28
0.81
0.69
0.63
0.04
0.71
0.33
0.24
5
5
5
5
2
LogLC
50
= 1.1
+
0.4 log |K
OH
|
LogLC
50
= 1.0
+
0.24 σ
p
LogLC
50
= - 0.19
+
0.25Z
2
/r
Perna
viridis
Cd
2+
, Cr
3+
, Cu
2+
, Hg
2+
,
Pb
2+
, Zn
2+
0.74
0.03
0.55
0.41
0.47
0.91
0.62
0.71
0.03
0.74
0.09
0.17
6
6
6
6
2
LogLC
50
= 0.99 + 0.05
log |K
OH
|
LogLC
50
= - 1.2 + 26σ
p
LogLC
50
= 0.6 + 0.13Z
2
/r
LogLC
50
= 3.6 - 0.8
X
r
Mytilis
edulis
a
Ag
+
, Cd
2+
, Co
2+
, Cr
3+
, Cs
+
,
Hg
2+
, Pb
2+
, Zn
2+
0.56
0.44
0.02
0.58
0.56
0.64
0.85
0.55
0.003
0.07
0.76
0.03
8
8
8
8
2
LogBCF = 2.0 + 0.1 log|K
OH
|
LogBCF = 2.8 + 0.1 σ
p
LogBCF = 3.6 + 0.1Z
2
/r
LogBCF = 1.4 - 0.5
X
r
m
Perna
viridis
Ag
+
, Cd
2+
, Cs
+
, Cu
2+
, Hg
2+
,
Pb
2+
, Zn
2+
0.74
0.76
0.01
7
2
LogBCF = 1.1 - 1.0
X
r
m
LogBCF = 2.7 + 0.2 log|K
OH
|
0.29
1.3
0.21
7
0.77
0.73
0.01
7
Log BCF = 5.2 - 6.5σ
p
Log BCF = 5.6 − 0.3Z
2
/r
0.76
0.75
0.01
7
Source:
Data from M. van Kolck, M.A.J. Huijbregts, K. Veltman, and A.J. Hendriks, “Estimating
Bioconcentration Factors, Lethal Concentrations and Critical Body Residues of Metals in the
Mollusks
Perna viridis
and
Mytilus edulis
Using Ion Characteristics.”
Environ. Toxicol. Chem
.
27 (2008):272-276. Supplementary information available at
http://onlinelibrary.wiley.com/
a
Van Kolck et al. (2008) reported that the BCF QCARs for
Mytilis edulis
were developed for 7 cations.
However, the supplementary information cited in their publication listed 8 cations for which
Mytilis edulis
BCFs were developed. The 8 cations above are from the supplementary information,
http://onlinelibrary.
dc5689332031992621f5e3833819a8e96f.
X
r
m
2
is the covalent index.
log|
K
OH
|is the logarithm of the first hydrolysis constant.
σ
p
is the Pearson and Mawby softness parameter.
Z
2
/r is the ionic index.
