Interaction of Conazole Pesticides Epoxiconazole and Prothioconazole with Human and Bovine Serum Albumin Studied Using Spectroscopic Methods and Molecular Modeling.

The interactions of epoxiconazole and prothioconazole with human serum albumin and bovine serum albumin were investigated using spectroscopic methods complemented with molecular modeling. Spectroscopic techniques showed the formation of pesticide/serum albumin complexes with the static type as the dominant mechanism. The association constants ranged from 3.80 × 104-6.45 × 105 L/mol depending on the pesticide molecule (epoxiconazole, prothioconazole) and albumin type (human or bovine serum albumin). The calculated thermodynamic parameters revealed that the binding of pesticides into serum albumin macromolecules mainly depended on hydrogen bonds and van der Waals interactions. Synchronous fluorescence spectroscopy and the competitive experiments method showed that pesticides bind to subdomain IIA, near tryptophan; in the case of bovine serum albumin also on the macromolecule surface. Concerning prothioconazole, we observed the existence of an additional binding site at the junction of domains I and III of serum albumin macromolecules. These observations were corroborated well by molecular modeling predictions. The conformation changes in secondary structure were characterized by circular dichroism, three-dimensional fluorescence, and UV/VIS absorption methods.

Emerging endocrine disruptors in two edible fish from the Persian Gulf: Occurrence, congener profile, and human health risk assessment.

The occurrence of endocrine disrupting chemicals (EDCs) has been determined in two widely consumed fish species from Persian Gulf i.e., Epinephelus coioides and Platycephalus indicus by applying a validated analytical for the simultaneous detection of fourteen EDCs. The concentrations of all detected EDCs were greater in the liver than in the muscle (except for bisphenol A in P. indicus), suggesting a prolonged exposure of the fishes to these pollutants in the Persian Gulf. Specifically, the results showed that di (2-ethylhexyl) phthalate (DEHP) was the compound detected most frequently and at the highest concentration in both species. DEHP levels in ranged from 6.68 to 297.48 µg g-dw-1 and from 13.32 to 350.52 µg g-dw-1, in muscle and in liver, respectively. A risk assessment study was conducted, and demonstrated that consuming two fish based- meals per week may result in a moderate risk especially for vulnerable population groups.