Combining QSAR and SSD to predict aquatic toxicity and species sensitivity of pyrethroid and organophosphate pesticides

The widespread use of pyrethroid and organophosphate pesticides necessitates accurate toxicity predictions for regulatory compliance. In this study QSAR and SSD models for six pyrethroid and four organophosphate compounds using QSAR Toolbox and SSD Toolbox have been developed. The QSAR models, described by the formula 48 h-EC50 or 96 h-LC50 = x + y * log Kow, were validated for predicting 48 h-EC50 values for acute toxicity and 96 h-LC50 values for acute fish toxicity, meeting criteria of ≥10, ≥0.7, and >0.5. Predicted 48 h-EC50 values for pyrethroids ranged from 3.95 × 10 mg/L (permethrin) to 8.21 × 10 mg/L (fenpropathrin), and 96 h-LC50 values from 3.89 × 10 mg/L (permethrin) to 1.68 × 10 mg/L (metofluthrin). For organophosphates, 48 h-EC50 values ranged from 2.00 × 10 mg/L (carbophenothion) to 3.76 × 10 mg/L (crufomate) and 96 h-LC50 values from 3.81 × 10 mg/L (carbophenothion) to 12.3 mg/L (crufomate). These values show a good agreement with experimental data, though some, like Carbophenothion, overestimated toxicity. HC05 values, indicating hazardous concentrations for 5% of species, range from 0.029 to 0.061 µg/L for pyrethroids and 0.030 to 0.072 µg/L for organophosphates. These values aid in establishing environmental quality standards (EQS). Compared to existing EQS, HC05 values for pyrethroids were less conservative, while those for organophosphates were comparable

Hydrocarbon Contamination Decreases Mating Success in a Marine Planktonic Copepod

The mating behavior and the mating success of copepods rely on chemoreception to locate and track a sexual partner. However, the potential impact of the water-soluble fraction of hydrocarbons on these aspects of copepod reproduction has never been tested despite the widely acknowledged acute chemosensory abilities of copepods. I examined whether three concentrations of the water-soluble fraction of diesel oil (0.01%, 0.1% and 1%) impacts (i) the swimming behavior of both adult males and females of the widespread calanoid copepod Temora longcornis, and (ii) the ability of males to locate, track and mate with females. The three concentrations of the water-soluble fraction of diesel oil (WSF) significantly and non-significantly affect female and male swimming velocities, respectively. In contrast, both the complexity of male and female swimming paths significantly decreased with increasing WSF concentrations, hence suggesting a sex-specific sensitivity to WSF contaminated seawater. In addition, the three WSF concentrations impacted both T. longicornis mating behavior and mating success. Specifically, the ability of males to detect female pheromone trails, to accurately follow trails and to successfully track a female significantly decreased with increasing WSF concentrations. This led to a significant decrease in contact and capture rates from control to WSF contaminated seawater. These results indicate that hydrocarbon contamination of seawater decreases the ability of male copepods to detect and track a female, hence suggest an overall impact on population fitness and dynamics

Estimating Oceanic Heat Flux from Sea-Ice Thickness and Temperature Data

All studies and models of air—sea-ice interactions suffer from a paucity of information about the oceanic heat flux, which exerts a controlling influence on the sea-ice energy and mass balance. The role of the oceanic heat flux in the sea-ice energy and mass balance is discussed. The performance of ice-ocean models depends on a satisfactory specification of this rarely measured oceanic parameter. A method for determining the oceanic heat flux by measuring the temperatures and thickness of sea ice is described. The results obtained using this method and the data collected during the fall of 1988 in the eastern Arctic are presented. Values of the oceanic heat flux ranging from 0 to 37 W m−2 were estimated from observations taken in the region north-east of Fram Strait. The oceanic heat flux in this region varied in both time and space.</jats:p