A framework for categorizing sources of uncertainty in in silico toxicology methods: Considerations for chemical toxicity predictions.

Improving regulatory confidence and acceptance of in silico toxicology methods for chemical risk assessment requires assessment of associated uncertainties. Therefore, there is a need to identify and systematically categorize sources of uncertainty relevant to the methods and their predictions. In the present study, we analyzed studies that have characterized sources of uncertainty across commonly applied in silico toxicology methods.

A problem formulation framework for the application of in silico toxicology methods in chemical risk assessment.

The first step in the hazard or risk assessment of chemicals should be to formulate the problem through a systematic and iterative process aimed at identifying and defining factors critical to the assessment. However, no general agreement exists on what components an in silico toxicology problem formulation (PF) should include. The present work aims to develop a PF framework relevant to the application of in silico models for chemical toxicity prediction.

Elevated temperature alleviates benzophenone-3 toxicity in Daphnia magna.

Water temperature rises due to thermal discharge and global warming and the potential resulting impacts on the ecotoxicity of emerging chemicals are a growing concern. Benzophenone-3 (BP-3) is an ultraviolet filter added to personal care and plastic products, which is detected at highest concentrations during the hot summer season. This study aimed to investigate the effect of elevated temperature on acute (48 h) and chronic (21 d) BP-3 toxicity in Daphnia magna.

Role of extracellular polymeric substances in leaching and bioconcentration of benzophenone-3 from microplastic fragments.

Adverse effects of microplastics (MPs) are exacerbated by plastic additives such as benzophenone-3 (BP-3). The aim of the present study was to evaluate the role of extracellular polymeric substances (EPS) of Chlorella vulgaris in leaching BP-3 additive (3.0 ± 0.

Synergistic effect of microplastic fragments and benzophenone-3 additives on lethal and sublethal Daphnia magna toxicity.

The interactive effect of polyethylene microplastic (MP) fragments and benzophenone-3 (BP-3) additives on Daphnia magna was assessed in the present study. The 48 h median effective concentration (EC) revealed that MP fragments (37.24 ± 11.

Microbubble ozonation of the antioxidant butylated hydroxytoluene: Degradation kinetics and toxicity reduction.

Butylated hydroxytoluene (BHT) is recognized as a crucial pollutant in aquatic environments, but efforts to achieve its complete removal are without success. The aim of this study was to investigate the degradation efficiency of BHT in water using ozone microbubbles (OMB), coupled with toxicity change assessment at sub-lethal BHT concentrations (0.34, 0.

Toxicokinetic modeling of octylphenol bioconcentration in Chlorella vulgaris and its trophic transfer to Daphnia magna.

Bioconcentration of 4-tert-Octylphenol (OP) in freshwater algae Chlorella vulgaris was investigated by considering the effects of algal growth and exudate excretion. The OP uptake in algae was approximately 113 mg kg after 24 h, and the uptake rate constant was estimated as 2.4 × 10 L kg d.