title: UV/H2O2degradation of the antidepressants venlafaxine and O-desmethylvenlafaxine: Elucidation of their transformation pathway and environmental fate.
abstract: The aim of the present work is to investigate the removal and transformation of the antidepressants venlafaxine (VFX) and its main metabolite O-desmethylvenlafaxine (DVFX) upon advanced oxidation with UV/H2O2 under lab conditions. High-resolution mass spectrometry (HRMS) analyses were carried out by means of ultra-high pressure liquid chromatography (UHPLC)-linear ion trap high resolution Orbitrap instrument (LTQ-Orbitrap-MS) in order to elucidate the different transformation products (TPs) generated. The depletion of both VFX and DVFX was very significant, with the 99.9% of both compounds eliminated after 5 and 30 min of reaction, respectively. Eleven TPs for VFX and six for DVFX were detected and their molecular structures elucidated by means of MS(2) and MS(3) scans, and the corresponding degradation pathways were proposed. The combined ecotoxicity at different treatment times was evaluated by means of bioluminescence inhibition assays with the marine bacteria Vibrio fischeri. Results showed an increase in the ecotoxicity during the UV/H2O2 experiment, especially at those reaction times where the total abundance of TPs was higher.
authors.affiliation: LEQUIA, Institute of the Environment, University of Girona, Campus Montilivi, E-17071 Girona, Spain. Electronic address: chus3.garcia@gmail.com.
authors.forename: Ma Jesús
authors.initials: MJ
authors.lastname: García-Galán
authors.affiliation: LEQUIA, Institute of the Environment, University of Girona, Campus Montilivi, E-17071 Girona, Spain.
authors.forename: Alba
authors.initials: A
authors.lastname: Anfruns
authors.affiliation: LEQUIA, Institute of the Environment, University of Girona, Campus Montilivi, E-17071 Girona, Spain; IQS School of Engineering, Universitat Ramon Llull, Via Augusta 390, 08017 Barcelona, Spain.
authors.forename: Rafael
authors.initials: R
authors.lastname: Gonzalez-Olmos
authors.affiliation: ICRA, Catalan Institute for Water Research, Emili Grahit 101, E-17003 Girona, Spain.
authors.forename: Sara
authors.initials: S
authors.lastname: Rodríguez-Mozaz
authors.affiliation: LEQUIA, Institute of the Environment, University of Girona, Campus Montilivi, E-17071 Girona, Spain; ICRA, Catalan Institute for Water Research, Emili Grahit 101, E-17003 Girona, Spain.
authors.forename: Joaquim
authors.initials: J
authors.lastname: Comas
mesh_terms: D048908:Aliivibrio fischeri / Q000187:drug effects / Q000378:metabolism; D000928:Antidepressive Agents / Q000737:chemistry / Q000528:radiation effects / Q000633:toxicity; D000069468:Desvenlafaxine Succinate / Q000737:chemistry / Q000528:radiation effects / Q000633:toxicity; D006861:Hydrogen Peroxide / Q000737:chemistry*; D010782:Photolysis; D014466:Ultraviolet Rays; D000069470:Venlafaxine Hydrochloride / Q000737:chemistry / Q000528:radiation effects / Q000633:toxicity
chemical_list: D000928:Antidepressive Agents; D000069470:Venlafaxine Hydrochloride; D006861:Hydrogen Peroxide; D000069468:Desvenlafaxine Succinate
keywords: Ecotoxicity; Metabolite; Transformation products; UV/H(2)O(2) oxidation; Venlafaxine