New insights into binary mixture toxicology: 2. Effects of reactive oxygen species generated by some carboxylic diesters on marine and freshwater organisms (VIII)

This paper presents the development of toxicity of some saturated and phthalate carboxylic diesters (CDE) quantified by experimentally measured (Mes) and calculated (C) values using the Hydractinia echinata (invertebrate) Toxicity Screening Test System (HeTSTS) and the Köln Model (KM) algorithm. The validity of the investigation model is confirmed by the results for three other aquatic organisms: the ciliate protozoan Tetrahymena pyriformis, the freshwater fish Pimephales promelas and the freshwater crustacean Daphnia magna test systems have shown that the evolution of effectiveness is similar, although the absolute values are different. CDE undergoes rapid, irreversible, selective and abiotic –OH^– nucleophilic catalyzed monohydrolysis with the formation of the substrate amphiphilic carboxylate monoester (CME), saturated or phthalate and alcohol (AL) as a xenobiotic (SbX) binary mixture in stoichiometric proportion. The Mes represents the inverse of the logarithm of the diester concentration (molL^-1), which determines the 50% reduction in metamorphosis of H. echinata from larva to polyp and is influenced by the saturated carbon atom (Cs) of the molecular substructure involved in monohydrolysis. According to the KM algorithm, Cs is the Elementary Specific Interaction Parameter (ESIP) with a specific and constant toxicity value – identical in different substances – depending on the nature of the organism that allows the calculation of toxicity predictions in C. AL is the fingerprint of the mixture (FP) because it influences the diffusion of CMEs through the cell membrane to cellular receptors (CRs). Generally, the Mes and C, are the predicted ECOSAR and calculated C* values form the Class Regulated Increased Toxicity (CRIT) and Class Regulated Decreased Toxicities (CRDT) series. The use of H. echinata in toxicity determinations is an alternative for the study of the relevant ecological impact of chemical oxidative stress on aquatic organisms and, consequently, on human health.