Chemistry Reference
In-Depth Information
TABLE 5.16
Jones and Vaughn (1978) Pearson and Mawby Softness Parameter (
σ
p
) QCARs
Test Substance(s)
QCARs
r
2
SE
p
n
Ag
+
, Au
+
, Cd
2+
, Hg
2+
0.974
0.059
0.00628
4
logLD
50
= -1.95 + 18.76σ
p
Co
2+
, Cu
2+
, Fe
2+
, Ni
2+
, Pb
2+
, Sn
2+
,
Zn
2+
0.464
0.304
7
logLD
50
= - .999 + 18.79σ
p
Al
3+
, Ba
2+
, Be
2+
, Ca
2+
, Cr
3+
, Cs
1+
,
Fe
3+
, H
1+
, K
1+
, La
3+
, Li
1+
, Mg
2+
,
Na
1+
, Rb
1+
, Sc
3+
, Sr
2+
, Y
3+
logLD
50
= −1.706 + 11.35σ
p
0.441
0.548
0.25
17
All cations
0.436
0.61
0.00004
28
LogLD
50
= -1.64 + 9.94σ
p
Source:
Data from M.M. Jones and W.K. Vaughn, “HSAB Theory and Acute Metal Ion Toxicity and
Detoxification Processes.
J. Inorg. Nucl. Chem
. 40 (1978):2081-2088.
(
Table 5.17
)
. The test system and cations used to develop the Williams et al.
(1982)
QSARs are listed in
Table 5.15
.
Jacobsen et al. (1983) used dietary exposures in
Drosophila melanogaster
to
develop a QSAR for the Pearson and Mawby softness parameter (σ
p
) to predict the
to develop the Jacobsen et al. (1983) QSAR are listed in Table 5.15.
Turner et al.
(1983) used the intraperitoneal dosing data from Williams et al.
(1982) to develop 3 QSARs for the Pearson and Mawby softness parameter (σ
p
) that
predicted mouse LD
50
values for groups of 8, 11, and 14 divalent cations (Table 5.1).
The coefficients of determination, standard deviations, and probabilities of chance
correlations for groups of 8, 11, and 14 divalent cations decreased as the number of
divalent cations increased (Table 5.17). The Turner et al. (1983) QSAR for 14 divalent
cations is identical to the Williams et al. (1982) mouse QSAR for 14 divalent cations
(Table 5.1). The test system used to develop the Turner et al. (1983) QSARs is listed
in Table 5.15.
Tan et al. (1984) used Chinese hamster ovary (CHO) cell data to develop a QSAR
with the Pearson and Mawby softness parameter (σ
p
) to predict 50% reduction in
cloning efficiency (CE
50
) for 11 divalent cations (Table 5.1). The test system and cat-
ions used to develop the Tan et al.
(1984) QSAR are listed in Table 5.15.
Turner et al. (1985) used the Williams et al.
(1982) data to report the same QSAR
that Turner et al.
(1983) developed for 8 divalent cations (Table 5.1). The test system
and cations used to develop the Turner et al.
(1985) QSAR are listed in Table 5.15.
Babich et al. (1986) described the relationship between the toxicity of 9 cations
and a 50% reduction in uptake of neutral red dye by fish cell cultures. A QSAR was
extrapolated from Figure 6 of Babich et al.
(1986) (Table 5.1). Their fish cultures were
BF-2 cells, an established fibroblastic cell line derived from the caudal fin of the blue-
gill (
Lepomis macrochirus
). The 9 cations used to develop the Babich et al. (1986)
QSAR are listed in Table 5.15.
Khangarot and Ray (1989) did not report any QSARs for the Pearson and Mawby
softness parameter (σ
p
). However, they did use linear regression analysis to develop
