Estrone ELISA Kit

Three species associated with estrogens have been studied in this work, equilenin, equilin and estrone. Their molecular structures have been theoretically studied in gas phase with the hybrid B3LYP/6-31G* method. NBO, AIM and frontier orbital calculations were computed for the three species at the same level of theory. Higher dipole moment and volume were observed for estrone while equilin presents higher volume than equilenin but lower dipole moment value. Probably, the unsaturated C=C in the B ring of equilin could explain those differences. The differences observed in the properties could be clearly explained by differences in the dihedral angles. The analyses of MK and Mulliken charges evidence the higher variations on the C atoms common to the B, C and D rings in the three species. The mapped MEP surfaces show that both A and B rings of equilenin are different from the other ones because they have aromatic naphthalene core, as was evidenced experimentally. The NBO studies support the higher stability of equilin, in relation to equilenin and estrone while the AIM analyses reveal the higher stability for estrone. The gap values suggest that equilenin is the most reactive species due to its higher global electrophilicity value, in agreement with the higher stability observed for this species while the higher global nucleophilicty values are observed for equilin and estrone. Here, the harmonic force fields, scaled force constants and the complete assignments of 108, 114 and 120 vibration modes for equilenin, equilin and estrone, respectively are reported for first time.

The occurrence of endocrine-disrupting compounds (EDCs) consisting of natural and synthetic estrogens, namely estrone (E-1), 17 beta-estradiol (E-2), estriol (E-3) and 17 alpha-ethinylestradiol (EE2) was quantified in wastewater samples. The aim of this study was to assess the removal efficiency for the selected estrogens (E-1, E-2, E-3 and EE2) and reduction of estrogenic activity in wastewater samples from wastewater treatment plants (WWTPs) using different processes. Solid-phase extraction (SPE) followed by liquid chromatography-tandem mass spectrometry (LC-MS/MS) methods were used to quantify the selected estrogens in wastewater samples. Estrogenic activity was assessed using the T47D-KBluc gene reporter assay. Results revealed a decrease in estrogen concentrations observed in the effluents of all the WWTPs, except for E-2 at Daspoort where no removal was noted. In general, the highest removal for total estrogens was observed at Phola (84%) combining three processes (AP, BF and wetland). The AS at Daspoort had a highest removal of 75% for E3; while at Zeekoegat the highest removal reached 61% for EE2. The PST at Daspoort had no removal recorded for all the compounds, except for the EE2 (33%). The AP and BF systems at Phola contributed to a higher removal of selected compounds. Downstream of the wetland at Phola no removal was recorded for E-3; while the highest removal reached 61% for E-1. The best performance in terms of the overall influent-to-effluent removal efficiency was observed at Phola WWTP, where E-1 removal of 85% was recorded. The highest estrogenic activity in the effluent was reported at Phola, with an average estradiol equivalent (EEQ) value of 6.3 +/- 6.7 ng/L. However, no anti-estrogenic activity was detected in any of the samples. The daily mass load discharged from the effluent of the three WWTPs was higher for E-1 recorded at Zeekoegat (8002.3 +/- 6416.3 mg/d), followed by Daspoort (3509.8 +/- 849.0 mg/d) and finally Phola (176.1 +/- 34.9).