Toward the Toxicology of Some Nitro-Compounds
作者: Bisheng Tan Longyu Liao Yang Zhou Xinping Long Jinshan Li
刊名: Modern Organic Chemistry Research, 2018, Vol.3 (1)
来源数据库: Isaac Scientific Publishing
关键词: Acute toxicity testSemi-lethal doseElectrostatic potentialsGenetic function approximationToxicology
原始语种摘要: Nitro-compounds are widely used in medicine, agriculture and industry. Their toxicity issues attract more and more attention. There are a lot of factors influncing toxicity, and the degrees are different from one another. Some physical properties of compounds, such as the surface properties, may play crucial roles in the toxicity of these compounds. Twenty seven parameters of twenty eight nitro-compounds, including molecular size related parameters, molecular surface electrostatic potential based parameters, solubility parameters, molecular cohesive energies, surface tensions, dielectric constants and Mulliken charges of nitro groups, were considered to correlate with toxicity (semi-lethal dose, LD50) of the nitro-compounds. Fourteen parameters with higher correlation coefficients were...
全文获取路径: PDF下载  Isaac  (合作)

  • parameters 参数
  • molecular 分子的
  • properties 道具
  • toxicity 毒性
  • dielectric 电介质
  • surface 
  • function 函数
  • nitro 硝基
  • approximation 近似
  • different 不相同的