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QSARs for aromatic hydrocarbons at several trophic levels.

Walter Di Marzio¹, Maria Elena Saenz

¹Programa de Investigación en Ecotoxicología, Departamento de Ciencias Básicas, Universidad Nacional de Luján. C.C. 221 Luján (B) 6700, Argentina. dimarzio@speedy.com.ar

Environmental Toxicology

|March 11, 2006

Summary

Quantitative structure-activity relationships (QSARs) reveal that aromatic hydrocarbons

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Area of Science:

Environmental Toxicology
Ecotoxicology
Quantitative Structure-Activity Relationships (QSAR)

Background:

Aromatic hydrocarbons are common environmental pollutants.
Understanding their toxicity across different aquatic organisms is crucial for ecological risk assessment.

Purpose of the Study:

To establish quantitative structure-activity relationships (QSARs) for the acute toxicity of aromatic hydrocarbons.
To investigate interspecies variations in toxicity responses among different trophic levels.

Main Methods:

Assayed toxicity of benzene and its alkylated derivatives against algae, zooplankton, invertebrates, and fish.
Calculated EC50/LC50 values and performed nonlinear regression with log Kow.
Analyzed bioconcentration factors (BCF) and critical body residues.

Main Results:

QSARs showed a positive correlation with increasing log Kow across all trophic levels.
Toxicity differences between algae and animals, and invertebrates and vertebrates, were observed.
Algae exhibited greater resistance than fish and invertebrates for compounds with log Kow < 3.

Conclusions:

Aromatic hydrocarbon toxicity is primarily driven by narcosis, linked to lipophilicity.
Differences in toxicity responses diminish for compounds with higher log Kow (> 3).
Predicted critical body residues for narcosis suggest a consistent toxic mechanism across species.

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