UV/H2O2degradation of the antidepressants venlafaxine and O-desmethylvenlafaxine: Elucidation of their transformation pathway and environmental fate
•Removal of 2 pharmaceuticals was studied upon UV/H2O2 treatment.•Sixteen major and minor transformation products were elucidated.•HRMS was successfully applied, using a LTQ-Orbitrap-MS analyzer.•Exact mass measurements of new by-products were made by means of MS2 and MS3 scans.•Combined ecotoxity o...
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| Veröffentlicht in: | Journal of hazardous materials 2016-07, Vol.311, p.70-80 |
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| creator | García-Galán, Mª Jesús Anfruns, Alba Gonzalez-Olmos, Rafael Rodríguez-Mozaz, Sara Comas, Joaquim |
| description | •Removal of 2 pharmaceuticals was studied upon UV/H2O2 treatment.•Sixteen major and minor transformation products were elucidated.•HRMS was successfully applied, using a LTQ-Orbitrap-MS analyzer.•Exact mass measurements of new by-products were made by means of MS2 and MS3 scans.•Combined ecotoxity of parent drugs and TPs was evaluated during the experiment.
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 30min of reaction, respectively. Eleven TPs for VFX and six for DVFX were detected and their molecular structures elucidated by means of MS2 and MS3 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. |
| doi_str_mv | 10.1016/j.jhazmat.2016.02.070 |
| format | Article |
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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 30min of reaction, respectively. Eleven TPs for VFX and six for DVFX were detected and their molecular structures elucidated by means of MS2 and MS3 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.</description><identifier>ISSN: 0304-3894</identifier><identifier>EISSN: 1873-3336</identifier><identifier>DOI: 10.1016/j.jhazmat.2016.02.070</identifier><identifier>PMID: 26954478</identifier><language>eng</language><publisher>Netherlands: Elsevier B.V</publisher><subject>Aliivibrio fischeri - drug effects ; Aliivibrio fischeri - metabolism ; Antidepressants ; Antidepressive Agents - chemistry ; Antidepressive Agents - radiation effects ; Antidepressive Agents - toxicity ; Bacteria ; Desvenlafaxine Succinate - chemistry ; Desvenlafaxine Succinate - radiation effects ; Desvenlafaxine Succinate - toxicity ; Ecotoxicity ; Hydrogen Peroxide - chemistry ; Liquid chromatography ; Metabolite ; Molecular structure ; Pathways ; Photolysis ; Reaction time ; Transformation products ; Transformations ; Ultraviolet Rays ; UV/H2O2 oxidation ; Venlafaxine ; Venlafaxine Hydrochloride - chemistry ; Venlafaxine Hydrochloride - radiation effects ; Venlafaxine Hydrochloride - toxicity ; Vibrio ; Vibrio fischeri</subject><ispartof>Journal of hazardous materials, 2016-07, Vol.311, p.70-80</ispartof><rights>2016 Elsevier B.V.</rights><rights>Copyright © 2016 Elsevier B.V. All rights reserved.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c468t-4f5ca2e1fa7fbc30108ca35f58b9d736a54a1b8ed077af93622c3ce238cdd0093</citedby><cites>FETCH-LOGICAL-c468t-4f5ca2e1fa7fbc30108ca35f58b9d736a54a1b8ed077af93622c3ce238cdd0093</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://www.sciencedirect.com/science/article/pii/S0304389416302060$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,776,780,3537,27901,27902,65306</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/26954478$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>García-Galán, Mª Jesús</creatorcontrib><creatorcontrib>Anfruns, Alba</creatorcontrib><creatorcontrib>Gonzalez-Olmos, Rafael</creatorcontrib><creatorcontrib>Rodríguez-Mozaz, Sara</creatorcontrib><creatorcontrib>Comas, Joaquim</creatorcontrib><title>UV/H2O2degradation of the antidepressants venlafaxine and O-desmethylvenlafaxine: Elucidation of their transformation pathway and environmental fate</title><title>Journal of hazardous materials</title><addtitle>J Hazard Mater</addtitle><description>•Removal of 2 pharmaceuticals was studied upon UV/H2O2 treatment.•Sixteen major and minor transformation products were elucidated.•HRMS was successfully applied, using a LTQ-Orbitrap-MS analyzer.•Exact mass measurements of new by-products were made by means of MS2 and MS3 scans.•Combined ecotoxity of parent drugs and TPs was evaluated during the experiment.
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 30min of reaction, respectively. Eleven TPs for VFX and six for DVFX were detected and their molecular structures elucidated by means of MS2 and MS3 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.</description><subject>Aliivibrio fischeri - drug effects</subject><subject>Aliivibrio fischeri - metabolism</subject><subject>Antidepressants</subject><subject>Antidepressive Agents - chemistry</subject><subject>Antidepressive Agents - radiation effects</subject><subject>Antidepressive Agents - toxicity</subject><subject>Bacteria</subject><subject>Desvenlafaxine Succinate - chemistry</subject><subject>Desvenlafaxine Succinate - radiation effects</subject><subject>Desvenlafaxine Succinate - toxicity</subject><subject>Ecotoxicity</subject><subject>Hydrogen Peroxide - chemistry</subject><subject>Liquid chromatography</subject><subject>Metabolite</subject><subject>Molecular structure</subject><subject>Pathways</subject><subject>Photolysis</subject><subject>Reaction time</subject><subject>Transformation products</subject><subject>Transformations</subject><subject>Ultraviolet Rays</subject><subject>UV/H2O2 oxidation</subject><subject>Venlafaxine</subject><subject>Venlafaxine Hydrochloride - chemistry</subject><subject>Venlafaxine Hydrochloride - radiation effects</subject><subject>Venlafaxine Hydrochloride - toxicity</subject><subject>Vibrio</subject><subject>Vibrio fischeri</subject><issn>0304-3894</issn><issn>1873-3336</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2016</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNqFkU2P0zAQhi0EYsvCTwDlyCVZfyV2uCC0WliklXphuVpTe0xdJU6x3UL5HfxgUloQnPbkj3nmHWkeQl4y2jDKuqtNs1nDjxFKw-dnQ3lDFX1EFkwrUQshusdkQQWVtdC9vCDPct5QSplq5VNywbu-lVLpBfl5__nqli-5wy8JHJQwxWryVVljBbEEh9uEOc_XXO0xDuDhe4jHmquWtcM8Ylkfhn9Kb6qbYWfDf1EhVSVBzH5K4-l_C2X9DQ6_czDuQ5riiLHAUHko-Jw88TBkfHE-L8n9-5tP17f13fLDx-t3d7WVnS619K0FjsyD8isrKKPagmh9q1e9U6KDVgJbaXRUKfC96Di3wiIX2jpHaS8uyetT7jZNX3eYixlDtjgMEHHaZTPvUumWct09jM4gl1zzY2p7Qm2ack7ozTaFEdLBMGqO7szGnN2ZoztDuZndzX2vziN2qxHd364_smbg7QnAeSf7gMlkGzBadCGhLcZN4YERvwBG47FA</recordid><startdate>20160705</startdate><enddate>20160705</enddate><creator>García-Galán, Mª Jesús</creator><creator>Anfruns, Alba</creator><creator>Gonzalez-Olmos, Rafael</creator><creator>Rodríguez-Mozaz, Sara</creator><creator>Comas, Joaquim</creator><general>Elsevier B.V</general><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7QQ</scope><scope>7SR</scope><scope>7SU</scope><scope>8BQ</scope><scope>8FD</scope><scope>C1K</scope><scope>FR3</scope><scope>JG9</scope><scope>KR7</scope><scope>7ST</scope><scope>7U7</scope><scope>SOI</scope></search><sort><creationdate>20160705</creationdate><title>UV/H2O2degradation of the antidepressants venlafaxine and O-desmethylvenlafaxine: Elucidation of their transformation pathway and environmental fate</title><author>García-Galán, Mª Jesús ; Anfruns, Alba ; Gonzalez-Olmos, Rafael ; Rodríguez-Mozaz, Sara ; Comas, Joaquim</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c468t-4f5ca2e1fa7fbc30108ca35f58b9d736a54a1b8ed077af93622c3ce238cdd0093</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2016</creationdate><topic>Aliivibrio fischeri - drug effects</topic><topic>Aliivibrio fischeri - metabolism</topic><topic>Antidepressants</topic><topic>Antidepressive Agents - chemistry</topic><topic>Antidepressive Agents - radiation effects</topic><topic>Antidepressive Agents - toxicity</topic><topic>Bacteria</topic><topic>Desvenlafaxine Succinate - chemistry</topic><topic>Desvenlafaxine Succinate - radiation effects</topic><topic>Desvenlafaxine Succinate - toxicity</topic><topic>Ecotoxicity</topic><topic>Hydrogen Peroxide - chemistry</topic><topic>Liquid chromatography</topic><topic>Metabolite</topic><topic>Molecular structure</topic><topic>Pathways</topic><topic>Photolysis</topic><topic>Reaction time</topic><topic>Transformation products</topic><topic>Transformations</topic><topic>Ultraviolet Rays</topic><topic>UV/H2O2 oxidation</topic><topic>Venlafaxine</topic><topic>Venlafaxine Hydrochloride - chemistry</topic><topic>Venlafaxine Hydrochloride - radiation effects</topic><topic>Venlafaxine Hydrochloride - toxicity</topic><topic>Vibrio</topic><topic>Vibrio fischeri</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>García-Galán, Mª Jesús</creatorcontrib><creatorcontrib>Anfruns, Alba</creatorcontrib><creatorcontrib>Gonzalez-Olmos, Rafael</creatorcontrib><creatorcontrib>Rodríguez-Mozaz, Sara</creatorcontrib><creatorcontrib>Comas, Joaquim</creatorcontrib><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>Ceramic Abstracts</collection><collection>Engineered Materials Abstracts</collection><collection>Environmental Engineering Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Environmental Sciences and Pollution Management</collection><collection>Engineering Research Database</collection><collection>Materials Research Database</collection><collection>Civil Engineering Abstracts</collection><collection>Environment Abstracts</collection><collection>Toxicology Abstracts</collection><collection>Environment Abstracts</collection><jtitle>Journal of hazardous materials</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>García-Galán, Mª Jesús</au><au>Anfruns, Alba</au><au>Gonzalez-Olmos, Rafael</au><au>Rodríguez-Mozaz, Sara</au><au>Comas, Joaquim</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>UV/H2O2degradation of the antidepressants venlafaxine and O-desmethylvenlafaxine: Elucidation of their transformation pathway and environmental fate</atitle><jtitle>Journal of hazardous materials</jtitle><addtitle>J Hazard Mater</addtitle><date>2016-07-05</date><risdate>2016</risdate><volume>311</volume><spage>70</spage><epage>80</epage><pages>70-80</pages><issn>0304-3894</issn><eissn>1873-3336</eissn><abstract>•Removal of 2 pharmaceuticals was studied upon UV/H2O2 treatment.•Sixteen major and minor transformation products were elucidated.•HRMS was successfully applied, using a LTQ-Orbitrap-MS analyzer.•Exact mass measurements of new by-products were made by means of MS2 and MS3 scans.•Combined ecotoxity of parent drugs and TPs was evaluated during the experiment.
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 30min of reaction, respectively. Eleven TPs for VFX and six for DVFX were detected and their molecular structures elucidated by means of MS2 and MS3 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.</abstract><cop>Netherlands</cop><pub>Elsevier B.V</pub><pmid>26954478</pmid><doi>10.1016/j.jhazmat.2016.02.070</doi><tpages>11</tpages></addata></record> |
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| identifier | ISSN: 0304-3894 |
| ispartof | Journal of hazardous materials, 2016-07, Vol.311, p.70-80 |
| issn | 0304-3894 1873-3336 |
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| source | MEDLINE; Elsevier ScienceDirect Journals |
| subjects | Aliivibrio fischeri - drug effects Aliivibrio fischeri - metabolism Antidepressants Antidepressive Agents - chemistry Antidepressive Agents - radiation effects Antidepressive Agents - toxicity Bacteria Desvenlafaxine Succinate - chemistry Desvenlafaxine Succinate - radiation effects Desvenlafaxine Succinate - toxicity Ecotoxicity Hydrogen Peroxide - chemistry Liquid chromatography Metabolite Molecular structure Pathways Photolysis Reaction time Transformation products Transformations Ultraviolet Rays UV/H2O2 oxidation Venlafaxine Venlafaxine Hydrochloride - chemistry Venlafaxine Hydrochloride - radiation effects Venlafaxine Hydrochloride - toxicity Vibrio Vibrio fischeri |
| title | UV/H2O2degradation of the antidepressants venlafaxine and O-desmethylvenlafaxine: Elucidation of their transformation pathway and environmental fate |
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