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aqueous activity
相关语句
  水中活度
     THE INFLUNCE OF ORGANIC SOLVENT,SURFACTANTS,AND NaCl ON THE AQUEOUS ACTIVITY COEFFICIENTS OF p-DICHLOROBENZENE
     有机溶剂、表面活性剂及NaCl对对二氯苯在水中活度系数的影响
短句来源
  相似匹配句对
     The activity of E.
     淀粉酶活性在50℃,pH 6.0条件下最高.
短句来源
     DETERMINATION OF THE ACTIVITY COEFFICIENTS OF ELECTROLYTES IN AQUEOUS SOLUTIONS
     水溶液中电解质活度系数的测定
短句来源
     Theoretical Single-Ion Activity Coefficients in Aqueous.
     水溶液中离子活度系数的理论计算
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     The activity of OH-.
     OH.
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     Aqueous Ink
     水性墨水
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  aqueous activity
The proposed aqueous activity and solubility model is valid for a range of applications from interpretation of studies on mineral dissolution at circumneutral pH to the dissolution of high-level waste tank sludges under acidic conditions.
      
For the nine CM2 meteorites analyzed, we observe that higher relative abundances of alkylated PAHs correlate with more intense aqueous activity.
      


Polychlorinated biphenyls(PCBs), an important kind of toxic pollutant, are persistent in the environment and accumulative in many species. Ab initio calculations have been performed for all 209 PCB congeners at the HF/6 31G level. Electrostatic potentials and subsequently derived statistically based structural descriptors have been obtained. Linear relationships between aqueous solubility(lgSW), n octanol/water partition coefficient (lgKOW),n octanol/air partition coefficient (lgKOA), soil sorption...

Polychlorinated biphenyls(PCBs), an important kind of toxic pollutant, are persistent in the environment and accumulative in many species. Ab initio calculations have been performed for all 209 PCB congeners at the HF/6 31G level. Electrostatic potentials and subsequently derived statistically based structural descriptors have been obtained. Linear relationships between aqueous solubility(lgSW), n octanol/water partition coefficient (lgKOW),n octanol/air partition coefficient (lgKOA), soil sorption (lgKOC), aqueous activity coefficient(lgYW), 298 K supercooled liquid vapour pressures(lgpL), total molecular surface area (TSA), gas chromatographic relative retention time (RRT), enthalpy of sublimation (Δ Hsubl), enthalpy of vaporization (Δ Hvap), enthalpy of fusion (Δ Hfus), Aryl hydrocarbon receptor biding affinity (pEC50),biodegradability (Biodeg% ) and Microbial elimination rate constant(- lgk) of PCBs and theoretical descriptors have been established by multiple regression method. It appears that the quantities derived from electrostatic potentials, Vmin, Vs,min, Vs,max, , Π , ,, ,together with the molecular surface area and some popular quantum chemical descriptors (e.g. EHOMO and ELUMO) can be well used to express the quantitative structure property (activity) relationships of PCBs. Although the correlation equations for some physicochemical properties and biological activities are not superior to those previously established with other types of structural parameters, the parameter set used in the present systematic quantitative structure property relationship(QSPR)/quantitative structure activity relationship(QSAR) study was proven to have more general applicability.

多氯联苯(PCBs)是一类重要的持久性环境污染物.首先对所有209个PCB分子进行了HF/6-31G水平上的结构优化,在优化结构上获得了分子的表面静电势分布,并在此基础上对其统计导出的参数进行了计算.其后,运用多元线性回归方法对PCBs的水溶性、正辛醇/水分配系数、正辛醇/空气分配系数、土壤吸附性、水溶液活度系数、298K超冷流体蒸汽压、总分子表面积、色谱保留指数、升华焓、蒸发焓、熔融焓、PCB结合芳烃受体活性数据、生物降解度以及生物降解速率参数等理化性质和生物活性与分子的结构参数进行了关联.结果表明:分子静电势参数结合分子表面积和常规的量子化学参数可以很好地用于表达多氯联苯分子理化性质和生物活性与其分子结构间的定量关系.

 
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