• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>RSC Advances >Two Cu(II)-triadimenol complexes as potential fungicides: synergistic actions and DFT calculations
【24h】

Two Cu(II)-triadimenol complexes as potential fungicides: synergistic actions and DFT calculations

机译：两种Cu（II）-TriaDimenol复合物作为潜在的杀菌剂：协同作用和DFT计算

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

Two Cu(II) complexes, namely, [CuL4(H2O)(2)]center dot 2NO(3)center dot 2CH(3)OH 1 and [CuL2(CH3COO)(2)] 2, (L - (1S,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl) butan-2-ol, triadimenol, a commercial 1,2,4-triazole pesticide) were synthesized and characterized by elemental analysis, IR spectra, UV-Vis spectra and single crystal X-ray diffraction. Crystal structural analysis shows that the different types of salts (copper acetate is covalent, while copper nitrate is ionic) contribute to different crystal structures: complex 1 consists of one copper cation, four ligands, two coordinated water molecules, two free nitrate anions and two uncoordinated methanol molecules. Complex 2 is composed of one copper cation, two ligands and two acetate anions, without free molecules. The two complexes and the ligand triadimenol were also screened for antifungal activities against four selected fungi. The antifungal results reveal that both the complexes show better bioactivities in comparison with L, and that complex 1 has higher bioactivities than complex 2. To elaborate the reasons of the enhanced bioactivities after complexation, the interaction levels between Cu2+ cation and triadimenol, as well as the density functional theory (DFT) method were carried out. The results indicate that three factors made the antifungal activities stronger after forming Cu(II) complexes: new active site of copper cation, synergic interactions between Cu2+ cation and L, and improved penetration of the metal complexes into the lipid membranes.
机译：两种Cu（ii）配合物，即[Cul4（H2O）（2）]中心点2nO（3）中心点2CH（3）OH 1和[CUL2（CH 3 COO）（2）] 2，（L - （1S， 2R）-1-（4-氯苯氧基）-3,3-二甲基-1-（1,2,4-三唑-1-基）Butan-2-Ol，三唑二苯酚，商业1,2,4-三唑农药通过元素分析，IR光谱，UV-Vis光谱和单晶X射线衍射合成并表征。晶体结构分析表明，不同类型的盐（醋酸铜是共价，而硝酸铜是离子的）有助于不同的晶体结构：复合物1由一个铜阳离子，四个配体，两个配位水分子，两个游离硝酸盐阴离子和两个未加价的甲醇分子。复合物2由一个铜阳离子，两个配体和两个醋酸阴离子组成，没有游离分子。还筛选了两种络合物和配体三二苯酚，用于针对四种选定的真菌的抗真菌活性。抗真菌结果表明，与L相比，两种复合物都显示出更好的生物活像性，并且该复合物1具有比复合物的更高的生物活像。为了详细阐述络合后增强的生物活性的原因，Cu2 +阳离子和三亚二苯酚之间的相互作用水平，以及进行密度泛函理论（DFT）方法。结果表明，三种因素使抗真菌活性更强，在形成Cu（ii）络合物后：铜阳离子的新型活性位点，Cu2 +阳离子和L之间的协同相互作用，并改善金属配合物在脂质膜中的渗透。

著录项

  • 来源
    《RSC Advances》 |2018年第6期|共8页
  • 作者

    Li Jie; Liu Huiyu; Guo Zhaoqi; Yang Mingyan; Song Jirong; Ma Haixia;

  • 作者单位

    Northwest Univ Xian Sch Chem Engn Xian 710069 Shaanxi Peoples R China;

    Northwest Univ Xian Sch Chem Engn Xian 710069 Shaanxi Peoples R China;

    Northwest Univ Xian Sch Chem Engn Xian 710069 Shaanxi Peoples R China;

    Changan Univ Dept Environm Sci &

    Engn Xian 710054 Shaanxi Peoples R China;

    Northwest Univ Xian Sch Chem Engn Xian 710069 Shaanxi Peoples R China;

    Northwest Univ Xian Sch Chem Engn Xian 710069 Shaanxi Peoples R China;

  • 收录信息
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 化学;
  • 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