title: Development and validation of a high-resolution LTQ Orbitrap MS method for the quantification of isoflavones in wastewater effluent.
abstract: Isoflavones and coumestranes are the most important classes of compounds among phytoestrogens; by binding to estrogen receptors, they mimic or modulate the effect on the endogenous receptors. Little information can be found in literature about the presence of isoflavones and coumestrol in the environment, even if it is known that this may have significance, being these substances classified as endocrine disrupting compounds. In this research, we aim to explore the capabilities of the LTQ Orbitrap Discovery hybrid MS in full-scan acquisition mode, with high resolution, to validate an analytical method for the quantification of nine isoflavones (genistein, genistin, glycitein, daidzein, daidzin, (R,S)-equol, biochanin A, formononetin and coumestrol) in wastewater samples. The correlation coefficients of calibration curves of the nine analyzed compounds were in a range of 0.996-0.999; recoveries at two different levels of concentration (0.05 and 0.5 µg/l) were in the range 73-98%, and the limits of detection ranged between 0.0014 and 0.017 µg/l, proving that this method is sensitive enough in comparison with other methods available in literature. This method has been applied for the analysis of 20 wastewater treatment plants in County Cork, Ireland.
authors.affiliation: Environmental Research Institute, University College Cork, Lee Road, Cork, Ireland.
authors.forename: Michael G
authors.initials: MG
authors.lastname: Cahill
authors.forename: Serena
authors.initials: S
authors.lastname: Logrippo
authors.forename: Brian A
authors.initials: BA
authors.lastname: Dineen
authors.forename: Kevin J
authors.initials: KJ
authors.lastname: James
authors.forename: Giovanni
authors.initials: G
authors.lastname: Caprioli
mesh_terms: D002851:Chromatography, High Pressure Liquid / Q000379:methods; D007494:Ireland; D007529:Isoflavones / Q000032:analysis* / Q000737:chemistry; D057230:Limit of Detection; D013058:Mass Spectrometry / Q000295:instrumentation / Q000379:methods*; D048789:Phytoestrogens / Q000032:analysis; D062065:Wastewater / Q000032:analysis* / Q000737:chemistry; D014874:Water Pollutants, Chemical / Q000032:analysis
chemical_list: D007529:Isoflavones; D048789:Phytoestrogens; D062065:Wastewater; D014874:Water Pollutants, Chemical
keywords: LTQ Orbitrap MS; high-resolution MS; isoflavones; phytoestrogens