Autori: Enache, M., Dearden, J.C., Walker, J.D.

Editorial: QSAR Comb. Sci. , 22, p.234-240, 2003.

Rezumat:

Toxicity data in sunflower callus cultures were determined
for 12 metal ions: Ca(II), Cd(II), Co(II), Cu(II), K(I),
Li(I), Mg(II), Mn(II), Na(I), Ni(II), Zn(II) and La(III).
Based on fresh and dry weight measurements, in vitro EC50
values in solution and in callus tissue were determined.
The correlations of the two toxicity data sets were modest.
Pearson×s correlation analysis of the toxicity data set
determined in callus tissue and numerous parameters
considered relevant in QSAR analysis showed the existence
of a lower number of significant relationships,
compared to the analogous analysis of EC50 values in
solution. Presented here are the corresponding significant
regression equations with an r2 adj.
0.8. Different types
of properties appeared to correlate with toxicity, making it
difficult to identify their potential significance, for example
properties of the metallic state like densities, atomic
properties like atomic radii and ionisation energies,
chemical properties of metals like the electronegativity,
surrogate measures considered to reflect qualities affecting
interaction with ligands such as the chemical softness
parameter, the covalent index, the first hydrolysis constant,
quantitative measures of the stability of a metal
complex in solution and hydration data.

Cuvinte cheie: QSAR, metal ions, toxicity, sunflower, callus culture