{"title":"过乙酸单独选择性降解磺胺类抗生素:直接氧化和自由基机制","authors":"","doi":"10.1016/j.envres.2024.119901","DOIUrl":null,"url":null,"abstract":"<div><p>In this study, a peracetic acid (PAA) alone process was systematically demonstrated to give a high efficiency in the selective degradation of sulfonamide antibiotics (SAs). The employment of scavengers and probe compounds in this process demonstrates the predominant role of PAA in direct oxidation, and the limited role of carbon-centered radicals (R-O<sup>•</sup>) in the degradation of representative SA, sulfamethazine (SMT). The process also exhibits high tolerance towards solution pH and competing anions in wastewater, indicating its applicability in enhancing the biodegradation of SAs in wastewater. Furthermore, the relationships between the observed rate constants (<em>k</em><sub>obs</sub>) and the molecule descriptors for ten SA compounds are demonstrated through the assessment of structure−activity relationships, calculated from density functional theory (DFT). This study gives new insights into the selectivity, performance and mechanism of PAA direct-oxidation in SA degradation.</p></div>","PeriodicalId":312,"journal":{"name":"Environmental Research","volume":null,"pages":null},"PeriodicalIF":7.7000,"publicationDate":"2024-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Selective degradation of sulfonamide antibiotics by peracetic acid alone: Direct oxidation and radical mechanisms\",\"authors\":\"\",\"doi\":\"10.1016/j.envres.2024.119901\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>In this study, a peracetic acid (PAA) alone process was systematically demonstrated to give a high efficiency in the selective degradation of sulfonamide antibiotics (SAs). The employment of scavengers and probe compounds in this process demonstrates the predominant role of PAA in direct oxidation, and the limited role of carbon-centered radicals (R-O<sup>•</sup>) in the degradation of representative SA, sulfamethazine (SMT). The process also exhibits high tolerance towards solution pH and competing anions in wastewater, indicating its applicability in enhancing the biodegradation of SAs in wastewater. Furthermore, the relationships between the observed rate constants (<em>k</em><sub>obs</sub>) and the molecule descriptors for ten SA compounds are demonstrated through the assessment of structure−activity relationships, calculated from density functional theory (DFT). This study gives new insights into the selectivity, performance and mechanism of PAA direct-oxidation in SA degradation.</p></div>\",\"PeriodicalId\":312,\"journal\":{\"name\":\"Environmental Research\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":7.7000,\"publicationDate\":\"2024-09-04\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Environmental Research\",\"FirstCategoryId\":\"93\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0013935124018061\",\"RegionNum\":2,\"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 Research","FirstCategoryId":"93","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0013935124018061","RegionNum":2,"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}
引用次数: 0
摘要
在这项研究中,系统地证明了仅用过乙酸(PAA)工艺就能高效选择性地降解磺胺类抗生素(SAs)。在此过程中使用的清除剂和探针化合物证明了 PAA 在直接氧化中的主要作用,以及碳中心自由基(R-O-)在降解具有代表性的磺胺类抗生素磺胺甲嗪(SMT)中的有限作用。该过程对溶液 pH 值和废水中的竞争阴离子也表现出很高的耐受性,这表明它适用于增强废水中 SA 的生物降解。此外,通过评估密度泛函理论(DFT)计算的结构-活性关系,证明了观察到的速率常数(kobs)与十种 SA 化合物的分子描述符之间的关系。这项研究为了解 PAA 直接氧化降解 SA 的选择性、性能和机理提供了新的视角。
Selective degradation of sulfonamide antibiotics by peracetic acid alone: Direct oxidation and radical mechanisms
In this study, a peracetic acid (PAA) alone process was systematically demonstrated to give a high efficiency in the selective degradation of sulfonamide antibiotics (SAs). The employment of scavengers and probe compounds in this process demonstrates the predominant role of PAA in direct oxidation, and the limited role of carbon-centered radicals (R-O•) in the degradation of representative SA, sulfamethazine (SMT). The process also exhibits high tolerance towards solution pH and competing anions in wastewater, indicating its applicability in enhancing the biodegradation of SAs in wastewater. Furthermore, the relationships between the observed rate constants (kobs) and the molecule descriptors for ten SA compounds are demonstrated through the assessment of structure−activity relationships, calculated from density functional theory (DFT). This study gives new insights into the selectivity, performance and mechanism of PAA direct-oxidation in SA degradation.
期刊介绍:
The Environmental Research journal presents a broad range of interdisciplinary research, focused on addressing worldwide environmental concerns and featuring innovative findings. Our publication strives to explore relevant anthropogenic issues across various environmental sectors, showcasing practical applications in real-life settings.