Melanie Voigt, Jean-Michel Dluziak, Nils Wellen, Victoria Langerbein, Martin Jaeger
{"title":"利用流式细胞和高分辨率质谱法监测文拉法辛及其代谢物o-去甲基文拉法辛的电化学氧化","authors":"Melanie Voigt, Jean-Michel Dluziak, Nils Wellen, Victoria Langerbein, Martin Jaeger","doi":"10.1186/s12302-025-01169-8","DOIUrl":null,"url":null,"abstract":"<div><h3>Background</h3><p>The antidepressant venlafaxine and its metabolite <i>o</i>-desmethylvenlafaxine are frequently found in water bodies around the world reaching several micrograms per liter. As a remedy, electrochemical advanced oxidation processes (EAOPs) such as anodic oxidation with a boron-doped diamond (BDD) electrode have proven to be a suitable means to prevent entrance in the aquatic environment. For potential application, optimization of the EAOPs can be readily achieved by variation of the conditions using a flow cell as compared to a batch-mode cell. Monitoring and characterization of the reactants provide inside into the oxidation mechanism.</p><h3>Results</h3><p>High-performance liquid chromatography and high-resolution mass spectrometry led to the observation of five transformation products of venlafaxine and to four of <i>o</i>-desmethylvenlafaxine. Mass voltammograms were recorded from which the impact of the oxidation conditions on the degradation and the quantity and nature of transformation products were derived. The transformation pathways were identified as well. Detailed analysis revealed that hydroxyl radicals played the major role in the electrochemical oxidation of venlafaxine and <i>o</i>-desmethylvenlafaxine. The prevalence of the hydroxyl radical induced degradation was further corroborated by the radical scavenger <i>tert</i>-butanol, causing a decrease in elimination efficiency. Both drugs were best eliminated at pH 3 and a voltage of 1.5 V, with the least ecotoxicological concern as indicated by QSAR analysis.</p><h3>Conclusion</h3><p>The study shall contribute to the advancement of EAOPs for advanced stages in wastewater purification treatment. An in silico ecotoxicity assessment using QSAR analysis showed that electrochemical oxidation is beneficial from an ecotoxicological point of view. Especially products formed via the indirect hydroxyl radical-induced mechanism showed a lower ecotoxicity than the initial compound.</p><h3>Graphical Abstract</h3>\n<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":546,"journal":{"name":"Environmental Sciences Europe","volume":"37 1","pages":""},"PeriodicalIF":6.0000,"publicationDate":"2025-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s12302-025-01169-8.pdf","citationCount":"0","resultStr":"{\"title\":\"Monitoring of the electrochemical oxidation of venlafaxine and its metabolite o-desmethylvenlafaxine using a flow cell and high-resolution mass spectrometry\",\"authors\":\"Melanie Voigt, Jean-Michel Dluziak, Nils Wellen, Victoria Langerbein, Martin Jaeger\",\"doi\":\"10.1186/s12302-025-01169-8\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><h3>Background</h3><p>The antidepressant venlafaxine and its metabolite <i>o</i>-desmethylvenlafaxine are frequently found in water bodies around the world reaching several micrograms per liter. As a remedy, electrochemical advanced oxidation processes (EAOPs) such as anodic oxidation with a boron-doped diamond (BDD) electrode have proven to be a suitable means to prevent entrance in the aquatic environment. For potential application, optimization of the EAOPs can be readily achieved by variation of the conditions using a flow cell as compared to a batch-mode cell. Monitoring and characterization of the reactants provide inside into the oxidation mechanism.</p><h3>Results</h3><p>High-performance liquid chromatography and high-resolution mass spectrometry led to the observation of five transformation products of venlafaxine and to four of <i>o</i>-desmethylvenlafaxine. Mass voltammograms were recorded from which the impact of the oxidation conditions on the degradation and the quantity and nature of transformation products were derived. The transformation pathways were identified as well. Detailed analysis revealed that hydroxyl radicals played the major role in the electrochemical oxidation of venlafaxine and <i>o</i>-desmethylvenlafaxine. The prevalence of the hydroxyl radical induced degradation was further corroborated by the radical scavenger <i>tert</i>-butanol, causing a decrease in elimination efficiency. Both drugs were best eliminated at pH 3 and a voltage of 1.5 V, with the least ecotoxicological concern as indicated by QSAR analysis.</p><h3>Conclusion</h3><p>The study shall contribute to the advancement of EAOPs for advanced stages in wastewater purification treatment. An in silico ecotoxicity assessment using QSAR analysis showed that electrochemical oxidation is beneficial from an ecotoxicological point of view. Especially products formed via the indirect hydroxyl radical-induced mechanism showed a lower ecotoxicity than the initial compound.</p><h3>Graphical Abstract</h3>\\n<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>\",\"PeriodicalId\":546,\"journal\":{\"name\":\"Environmental Sciences Europe\",\"volume\":\"37 1\",\"pages\":\"\"},\"PeriodicalIF\":6.0000,\"publicationDate\":\"2025-07-10\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://link.springer.com/content/pdf/10.1186/s12302-025-01169-8.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Environmental Sciences Europe\",\"FirstCategoryId\":\"93\",\"ListUrlMain\":\"https://link.springer.com/article/10.1186/s12302-025-01169-8\",\"RegionNum\":3,\"RegionCategory\":\"环境科学与生态学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"ENVIRONMENTAL SCIENCES\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Environmental Sciences Europe","FirstCategoryId":"93","ListUrlMain":"https://link.springer.com/article/10.1186/s12302-025-01169-8","RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"ENVIRONMENTAL SCIENCES","Score":null,"Total":0}
Monitoring of the electrochemical oxidation of venlafaxine and its metabolite o-desmethylvenlafaxine using a flow cell and high-resolution mass spectrometry
Background
The antidepressant venlafaxine and its metabolite o-desmethylvenlafaxine are frequently found in water bodies around the world reaching several micrograms per liter. As a remedy, electrochemical advanced oxidation processes (EAOPs) such as anodic oxidation with a boron-doped diamond (BDD) electrode have proven to be a suitable means to prevent entrance in the aquatic environment. For potential application, optimization of the EAOPs can be readily achieved by variation of the conditions using a flow cell as compared to a batch-mode cell. Monitoring and characterization of the reactants provide inside into the oxidation mechanism.
Results
High-performance liquid chromatography and high-resolution mass spectrometry led to the observation of five transformation products of venlafaxine and to four of o-desmethylvenlafaxine. Mass voltammograms were recorded from which the impact of the oxidation conditions on the degradation and the quantity and nature of transformation products were derived. The transformation pathways were identified as well. Detailed analysis revealed that hydroxyl radicals played the major role in the electrochemical oxidation of venlafaxine and o-desmethylvenlafaxine. The prevalence of the hydroxyl radical induced degradation was further corroborated by the radical scavenger tert-butanol, causing a decrease in elimination efficiency. Both drugs were best eliminated at pH 3 and a voltage of 1.5 V, with the least ecotoxicological concern as indicated by QSAR analysis.
Conclusion
The study shall contribute to the advancement of EAOPs for advanced stages in wastewater purification treatment. An in silico ecotoxicity assessment using QSAR analysis showed that electrochemical oxidation is beneficial from an ecotoxicological point of view. Especially products formed via the indirect hydroxyl radical-induced mechanism showed a lower ecotoxicity than the initial compound.
期刊介绍：
ESEU is an international journal, focusing primarily on Europe, with a broad scope covering all aspects of environmental sciences, including the main topic regulation.
ESEU will discuss the entanglement between environmental sciences and regulation because, in recent years, there have been misunderstandings and even disagreement between stakeholders in these two areas. ESEU will help to improve the comprehension of issues between environmental sciences and regulation.
ESEU will be an outlet from the German-speaking (DACH) countries to Europe and an inlet from Europe to the DACH countries regarding environmental sciences and regulation.
Moreover, ESEU will facilitate the exchange of ideas and interaction between Europe and the DACH countries regarding environmental regulatory issues.
Although Europe is at the center of ESEU, the journal will not exclude the rest of the world, because regulatory issues pertaining to environmental sciences can be fully seen only from a global perspective.
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号
