...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Environmental Science & Technology >Can Carbamates Undergo Radical Oxidation in the Soil Environment? A Case Study on Carbaryl and Carbofuran
【24h】

Can Carbamates Undergo Radical Oxidation in the Soil Environment? A Case Study on Carbaryl and Carbofuran

机译：氨基甲酸酯能在土壤环境中进行自由基氧化吗？甲萘威和呋喃丹的案例研究

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Radical oxidation of carbamate insecticides, namely carbaryl and carbofuran, was investigated with spectroscopic (electron paramagnetic resonance [EPR] and UV-vis) and theoretical (density functional theory [DFT] and ab initio orbital-optimized spin-component scaled MP2 [OO-SCS-MP2]) methods. The two carbamates were subjected to reaction with (OH)-O-center dot, persistent DPPH center dot and galvinoxyl radical, as well as indigenous radicals of humic acids. The influence of fulvic acids on carbamate oxidation was also tested. The results obtained with EPR and UV-vis spectroscopy indicate that carbamates can undergo direct reactions with various radical species, oxidizing themselves into radicals in the process. Hence, they are prone to participate in the prolongation step of the radical chain reactions occurring in the soil environment. Theoretical calculations revealed that from the thermodynamic point of view hydrogen atom transfer is the preferred mechanism in the reactions of the two carbamates with the radicals. The activity of carbofuran was determined experimentally (using pseudo first-order kinetics) and theoretically to be noticeably higher in comparison with carbaryl and comparable with gallic acid. The findings of this study suggest that the radicals present in soil can play an important role in natural remediation mechanisms of carbamates.
机译：用光谱（电子顺磁共振[EPR]和UV-vis）和理论（密度泛函理论[DFT]和从头开始优化自旋组分定标的MP2）研究了氨基甲酸酯杀虫剂的自由基氧化，即甲萘威和碳呋喃。 SCS-MP2]）方法。使这两个氨基甲酸酯与（OH）-O-中心点，持久性DPPH中心点和galvinoxyl自由基以及腐殖酸的固有自由基反应。还测试了富里酸对氨基甲酸酯氧化的影响。通过EPR和UV-vis光谱学获得的结果表明，氨基甲酸酯可与各种自由基发生直接反应，在此过程中将自身氧化为自由基。因此，它们倾向于参与在土壤环境中发生的自由基链反应的延长步骤。理论计算表明，从热力学观点来看，氢原子转移是两个氨基甲酸酯与自由基反应的优选机理。呋喃丹的活性是通过实验确定的（使用拟一级动力学），理论上与甲萘威相比要高得多，与没食子酸相当。这项研究的发现表明，土壤中存在的自由基可在氨基甲酸酯的自然修复机制中发挥重要作用。

著录项

  • 来源
    《Environmental Science & Technology》 |2017年第24期|14124-14134|共11页
  • 作者

    Cwielag-Piasecka Irmina; Witwicki Maciej; Jerzykiewicz Maria; Jezierska Julia;

  • 作者单位

    Wroclaw Univ Environm & Life Sci, Inst Soil Sci & Environm Protect, Grunwaldzka 53 St, Wroclaw, Poland;

    Wroclaw Univ, Fac Chem, 14 F Joliot Curie St, PL-50383 Wroclaw, Poland;

    Wroclaw Univ, Fac Chem, 14 F Joliot Curie St, PL-50383 Wroclaw, Poland;

    Wroclaw Univ, Fac Chem, 14 F Joliot Curie St, PL-50383 Wroclaw, Poland;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号