Computed Properties of C14H22O《Identification of known and novel nonpolar endocrine disruptors in human amniotic fluid》 was published in 2022. The authors were Dusza, Hanna M.;Manz, Katherine E.;Pennell, Kurt D.;Kanda, Rakesh;Legler, Juliette, and the article was included in《Environment International》. The author mentioned the following in the article:
Prenatal exposure to endocrine-disrupting compounds (EDCs) may contribute to endocrine-related diseases and disorders later in life. Nevertheless, data on in utero exposure to these compounds are still scarce. We investigated a wide range of known and novel nonpolar EDCs in full-term human amniotic fluid (AF), a representative matrix of direct fetal exposure. Gas chromatog. high-resolution mass spectrometry (GC-HRMS) was used for the targeted and non-targeted anal. of chems. present in nonpolar AF fractions with dioxin-like, (anti-)androgenic, and (anti-)estrogenic activity. The contribution of detected EDCs to the observed activity was determined based on their relative potencies. The multitude of features detected by non-targeted anal. was tentatively identified through spectra matching and data filtering, and further investigated using curated and freely available sources to predict endocrine activity. Prioritized suspects were purchased and their presence in AF was chem. and biol. confirmed with GC-HRMS and bioassay anal. Targeted anal. revealed 42 known EDCs in AF including dioxins and furans, polybrominated di-Ph ethers, pesticides, polychlorinated biphenyls, and polycyclic aromatic hydrocarbons. Only 30% of dioxin activity and <1% estrogenic and (anti-)androgenic activity was explained by the detected compounds Non-targeted anal. revealed 14,110 features of which 3,243 matched with library spectra. Our data filtering strategy tentatively identified 121 compounds Further data mining and in silico predictions revealed in total 69 suspected EDCs. We selected 14 chems. for confirmation, of which 12 were biol. active and 9 were chem. confirmed in AF, including the plasticizer di-Ph isophthalate and industrial chem. p,p′-ditolylamine. This study reveals the presence of a wide variety of nonpolar EDCs in direct fetal environment and for the first time identifies novel EDCs in human AF. Further assessment of the source and extent of human fetal exposure to these compounds is warranted. And 4-tert-Octylphenol (cas: 140-66-9) was used in the research process.
4-tert-Octylphenol(cas: 140-66-9) has been used as a reference standard for the determination of the analyte in water samples using ultra-high-performance liquid chromatography/tandem mass spectrometry (UHPLC/MS/MS).Computed Properties of C14H22O
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