1) substituted aromatic compound
取代芳烃
1.
Autocorrelation topological study on the acute toxicities of substituted aromatic compounds;
取代芳烃急性毒性的自相关拓扑研究
2.
The autocorrelation topological researches on slow and acutetoxicities of substituted aromatic compounds to scenedesmus ubliquus, rat and so on;
取代芳烃对月芽藻、大鼠等毒性的构效关系研究
3.
Results show that the SW and KOW of the substituted aromatic compounds could be better forecasted at AM1 level.
应用分子力学方法MM+和半经验量子化学AM1、MNDO和PM3法得到了54种取代芳烃的优势构象,在此基础上结合分子图形学技术,获得相应优化构象的电子结构参数和几何结构参数,并将这些参数与取代芳烃的辛醇/水分配系数和溶解度相关联。
2) substituted aromatic hydrocarbons
取代芳烃
1.
Joint toxicity of SDS and substituted aromatic hydrocarbons to photobacterium phosphoreum;
十二烷基硫酸钠与取代芳烃对发光菌的联合毒性作用
2.
Acute toxicity of six substituted aromatic hydrocarbons, phenol, nitrobenzene, m-nitroaniline, p-phenylendiamine, catechol and chlorobenzene to Photobacterium phosphoreum was determined.
测定了苯酚、硝基苯、间硝基苯胺、对苯二胺、邻苯二酚和氯苯等6种取代芳烃化合物对发光菌(Photobacterium phosphoreum)的急性毒性,应用毒性比(TR)判定方法,同时结合分子结构特征对受试化合物毒性作用进行了探讨和分类。
3.
The structures of substituted aromatic hydrocarbons were optimized at B3LYP/6-311G** level,of which the parameters of geometric structure and electronic structure were calculated combining with the technique of molecule graphics.
对取代芳烃进行DFT-B3LYP/6-311G**水平全优化得到其优势构象,结合分子图形学技术获得相应电子结构参数和几何结构参数,并将这些参数与取代芳烃对发光菌、大型蚤和呆鲦鱼的急性毒性关联,得到了良好的相关性,相关系数依次为0。
3) substituted aromatic compounds
取代芳烃
1.
Correlation of quantitative structure with toxicity for substituted aromatic compounds using DFT
DFT法研究取代芳烃结构与毒性的定量关系
2.
Five variables quantitative structure-biodegradability relationship(QSBR) model was established applying Kier's molecular connectivity indices(mXvt) and shape indices(mK) simulation analysis of the biochemical oxygen demand (BOD) of 42 substituted aromatic compounds with(by) activated sludge.
应用分子连接性指数(mXtv)及分子形状指数(mK)分析影响42种取代芳烃在活性污泥中的生化需氧量(BOD),建构了一个5变量的QSBR模型,其可决系数(R2)为0。
3.
A novel molecular electronegativity-distance vector(MEDV),which has been developed according to classification of the types of non-hydrogen atoms,is used to describe the chemical structure of a series of substituted aromatic compounds.
根据非氢原子类型分类、基于非氢原子相对电负性和非氢原子间距离等进行计算得到的分子电性距离矢量(MEDV)为描述子,对取代芳烃的结构进行表征。
4) substituted aromatic
取代芳烃
1.
A novel molecular connectivity index(~mZ~h) for QSPR/QSAR study of substituted aromatics;
一个新的分子连接性指数(~mZ~h)用于取代芳烃的定量构效关系研究
2.
The quantitative structure-activity relationships(QSAR) studies are performed in relation to the acute toxicitiea and 0L of substituted aromatic compounds(with substituents(Cl)(),(OH)(),(NO_2)() and alkyl).
基于gi建构新的拓扑指数mL,并研究了含有Cl、OH、NO2、烷基等基团的取代芳烃急性毒性的定量构效关系(QSAR)。
3.
The zero topological index 0F and the first topological index 1F among tF are highly correlated with the acute toxicity of substituted aromatic compounds to Scenedsmus obliquus,Photobacterium phosphoreum.
根据成键原子的结构特征 ,定义其生物活性的点价为 Ai,由 Ai 建构自相关拓扑指数 t F ,用其 0阶指数 0 F、1阶指数 1 F研究取代芳烃对斜生栅列藻 (Scenedsmus obliquus)、发光菌 (Photobacterium phosphoreum)的急性毒性 ,并给出相关方程 ,其二元相关系数分别为 0 。
5) substituted aromatics
取代芳烃
1.
The acute toxicity (24 th-LC50) of substituted aromatics to tadpoles as the biological model is detected in the static test system.
以蝌蚪为模型生物,测定了部分取代芳烃类化合物在静态试验系统中的急性毒性效应(24 h-LC50)。
2.
Studies of quantitative structure-activity relationship are conducted regarding the acute toxicities of substituted aromatics to three organisms:photobacterium phosphoreum,daphnia magna straus,and pimephales promelas.
以0 H、1 H及指示变量I为结构描述符 ,籍助多元线性回归技术 ,分别建立了取代芳烃 (含Cl、Br、CH3、OH、NH2 、NO2 等 )对发光菌、大型蚤、呆鲦鱼的QSAR模型 :以模型的估算结果均优于文献结果 ,而且计算简单 ,应用方便 ,为定量评估和预测同类型其它化合物的生物毒性提供了参考依据。
3.
In this paper, the acute toxicity of 20 substituted aromatics to tadpoles is determined with static methods.
以蝌蚪为模型生物,测定了部分取代芳烃类化合物在静态实验系统中的24h急性毒性效应。
6) olefine-substituted aromatic
烯烃取代芳香烃
补充资料：蒸汽裂解轻芳烃的石脑油与富含1,3-戊二烯蒸汽裂解轻芳烃的石脑油和蒸汽裂解中芳烃的石脑油的聚合物
CAS：68527-25-3
中文名称：蒸汽裂解轻芳烃的石脑油与富含1,3-戊二烯蒸汽裂解轻芳烃的石脑油和蒸汽裂解中芳烃的石脑油的聚合物
英文名称：Naphtha, petroleum, light steam-cracked arom., polymer with light steam-cracked arom. petroleum naphtha piperylene conc. and medium steam-cracked arom. petroleum naphtha
naphtha (petroleum), light steam-cracked arom.,polymer with light steam-cracked arom. petroleum naphtha piperyleneconc. and medium steam-cracked arom. petroleum naphtha
Naphtha,petroleum,light steam-cracked arom.,polymer with light steam-cracked arom. petroleum naphtha piperylene conc. and medium steam-cracked arom. petroleum naphtha
中文名称：蒸汽裂解轻芳烃的石脑油与富含1,3-戊二烯蒸汽裂解轻芳烃的石脑油和蒸汽裂解中芳烃的石脑油的聚合物
英文名称：Naphtha, petroleum, light steam-cracked arom., polymer with light steam-cracked arom. petroleum naphtha piperylene conc. and medium steam-cracked arom. petroleum naphtha
naphtha (petroleum), light steam-cracked arom.,polymer with light steam-cracked arom. petroleum naphtha piperyleneconc. and medium steam-cracked arom. petroleum naphtha
Naphtha,petroleum,light steam-cracked arom.,polymer with light steam-cracked arom. petroleum naphtha piperylene conc. and medium steam-cracked arom. petroleum naphtha
说明：补充资料仅用于学习参考，请勿用于其它任何用途。
参考词条