...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Biophysical Chemistry: An International Journal Devoted to the Physical Chemistry of Biological Phenomena >Contributions of dipole moments, quadrupole moments, and molecular polarizabilities to the anesthetic potency of fluorobenzenes
【24h】

Contributions of dipole moments, quadrupole moments, and molecular polarizabilities to the anesthetic potency of fluorobenzenes

机译：偶极矩，四极矩和分子极化率对氟苯麻醉效能的贡献

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

Previous studies have emphasized the role of molecular polarizability and electric moments, especially dipole and quadrupole moments, in binding of drugs to sites of action. A recent publication of ED50s that prevent response to a noxious stimulus for eight fluorobenzenes has made it possible to compare anesthetic potency with ab initio Hartree-Fock calculations of molecular polarizability as well as dipole and quadrupole moments. Fluorobenzenes provide a stringent test of the role of electric moments in anesthetic potency because individual dipole moments range from 0 to 2.84 debye (D) while the quadrupole moment of benzene is large and negative (- 30 x 10(-40) C m(2)), that of hexafluorobenzene is large and positive (30 x 10(-40) C m(2)), and that of 1,3,5-trifluorobenzene is nearly zero. We found that anesthetic potency of fluorobenzenes was not affected by the presence of either dipole or quadrupole moments. This result is surprising because fluoroalkanes and fluorocycloalkanes are most potent when half fluorinated and are usually not anesthetics when perfluorinated. The results suggest that electrostatic interactions are not important for binding of fluorobenzenes at sites of anesthetic action and that these sites are different from those that bind conventional anesthetics. (C) 1998 Published by Elsevier Science B.V. All rights reserved. [References: 27]
机译：先前的研究强调了分子极化性和电矩，尤其是偶极和四极矩在药物与作用部位结合中的作用。 ED50s的最新出版物阻止了对八种氟苯的有害刺激的响应，从而有可能将麻醉效果与从头算的Hartree-Fock分子极化率以及偶极和四极矩的计算结果进行比较。氟苯对电势在麻醉力中的作用进行了严格的测试，因为单个偶极矩的范围为0至2.84德拜（D），而苯的四极矩很大且为负值（-30 x 10（-40）C m（2） ）），六氟苯的苯又大又正（30 x 10（-40）C m（2）），而1,3,5-三氟苯的苯几乎是零。我们发现，氟苯的麻醉效力不受偶极或四极矩的影响。该结果令人惊讶，因为氟代烷烃和氟代环烷烃在半氟化时最有效，而在全氟化时通常不是麻醉剂。结果表明，静电相互作用对于在麻醉作用部位结合氟苯并不重要，并且这些部位与结合常规麻醉剂的部位不同。 （C）1998，Elsevier Science B.V.保留所有权利。 [参考：27]

著录项

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