Quantitative structure-activity relationships for polycyclic aromatic hydrocarbons: Correlation between molecular connectivity, physico-chemical properties, bioconcentration and toxicity in Daphnia pulex

Chemosphere ◽  
1984 ◽  
Vol 13 (2) ◽  
pp. 227-236 ◽  
Author(s):  
H. Govers ◽  
C. Ruepert ◽  
H. Aiking
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Daphnia Pulex ◽  
Chemical Properties ◽  
Quantitative Structure ◽  
Molecular Connectivity ◽  
Structure Activity ◽  
Physico Chemical ◽  
Polycyclic Aromatic ◽  
Quantitative Structure Activity Relationships

Partitioning of unsubstituted Polycyclic Aromatic Hydrocarbons between surface sediments and the water column in the Brisbane River Estuary

1990 ◽  
Vol 41 (4) ◽  
pp. 443 ◽  
Author(s):  
SI Kayal ◽  
DW Connell
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Water Column ◽  
Aromatic Hydrocarbons ◽  
Partition Coefficients ◽  
Laboratory Experiments ◽  
River Estuary ◽  
Chemical Properties ◽  
Linear Relationships ◽  
Physico Chemical ◽  
Polycyclic Aromatic

In all, 23 sediment samples and 8 water column samples from the Brisbane River estuary, Queensland, Australia, were analysed for polycyclic aromatic hydrocarbons (PAHs) in order to assess the field partitioning behaviour of these hydrocarbons. Twelve PAHs, ranging in molecular weight from naphthalene to benzo[a]pyrene, were identified and quantified. Their partition coefficients, indexed to sediment organic carbon and lipid content, were calculated after filtering to remove particulates and making a calculated adjustment for colloids, or organic matter, in the water phase. In logarithmic form, the partition coefficients were related to the physico-chemical properties of the compounds (Kow, Sw, RRT) by relationships having a parabolic shape rather than being linear. However, compounds with log Kow values of less than 5.5 gave linear relationships comparable to, but distinctly different from, those obtained from laboratory experiments. It is suggested that field conditions have distinctive differences from laboratory experiments that do not allow the direct translation of laboratory-based relationships to the natural aquatic environment.

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