Peroxidase-mediated removal of endocrine disrupting compound mixtures from water

Several classes of oxidative enzymes have shown promise for efficient removal of endocrine disrupting compounds (EDCs) that are resistant to conventional wastewater treatments. Although the kinetics of reactions between individual EDCs and selected oxidative enzymes are well documented in the literature, there has been little investigation of reactions with EDC mixtures. This makes it impossible to predict how enzyme-mediated treatment systems will perform since wastewater effluents generally contain multiple EDCs. This paper reports pseudo-first order rate constants for a model oxidative enzyme, horseradish peroxidase (HRP), during single-substrate (k₁) and mixed-substrate (k_1-MIX) reactions. Measured values are compared with literature values of three Michaelis-Menten parameters: half-saturation constant (K_M), enzyme turnover number (k_CAT), and the ratio k_CAT/K_M. Published reports had suggested that each of these could be correlated with HRP reactivity towards EDCs in mixtures, and empirical results from this study show that K_M can be used to predict the sequence of EDC removal reactions within a particular mixture. We also observed that k_1-MIX values were generally greater than k₁ values and that compounds exhibiting greatest estrogenic toxicities reacted most rapidly in a given mixture. Finally, because K_M may be tedious to measure for every EDC of interest, we have constructed a quantitative structure-activity relationship (QSAR) model to predict these values. This model predicts K_M quite accurately (R² = 89%) based on two molecular characteristics: molecular volume and hydration energy. Its accuracy makes this QSAR a useful tool for predicting which EDCs will be removed most efficiently during enzyme treatment of EDC mixtures.     

火电机组状态及性能全息诊断系统技术及应用

阐述了火电机组状态及性能全息诊断系统的技术原理、系统结构及应用情况。该系统以解决机组应用性能问题为目标,采用状态空间分析模型,具备多层次分析的运行操作指导,基于性能渐变特性的设备状态检修,包括分散度在内的运行指标考核以及定期的节能潜力诊断等功能,在10余家电厂44台近1500万kW机组上取得了供电煤耗平均降低1.5～3.5g（标煤）/kW.h的节能效果。     

预测有机化合物对水蚤EC50值的片段常数法

根据217种化合物建立了估算有机化合物对水蚤EC50值（48h半数影响浓度）的片段常数模型，分析了模型的误差及稳健性。研究结果表明，有机化合物的片段常数和结构因子与水蚤的EC50值倒数的对数（lg1/EC50)显著相关，可以根据片段常数法估算有机化合物对水蚤的EC50。模型的可决系数为0.9687，平均绝对误差0.40个对数单位，其中68.7%化合物的误差小于0.5个对数单位。     

Mercury pollution in a mining area of Guizhou,China: Fluxes over contaminated surfaces and concentrations in air,biological and geological samples

A dynamic flux chamber has been used to estimate fluxes of mercury over different types of surfaces in an abandoned open‐cut mine of Tongren prefecture, Guizhou province, China during spring and summer of 1996. The highest fluxes were obtained over cinnabar slag and contaminated soils, whereas the emissions above cinnabar ore were substantially lower. These fluxes was scaled up to estimate the contribution of mercury emissions to air from mercury wastes, compared to anthropogenic activities in the province of Guizhou, China. Atmospheric mercury concentrations measured were enhanced in the mining area (<1.3 μg m^‐3) compared to regional background sites (1.8–5.1 ng m^‐3). The spreading of mercury was estimated by using biological and geological samples. Moss bags have been employed to estimate long‐time dry‐ and wet‐deposition to this area.     

苯酚、苯胺及其衍生物对斜生栅列藻的急性毒性及QSAR研究

本文应用ＯＥＣＤ标准方法测定了１８种酚类胺类化合物对斜生栅列藻的４８ｈ－ＥＣ６０值，选择参数ＥＬＵＭＯ和ｌｇＫｏｗ进行了ＱＳＡＲ分析，得到下列回归方程：－１ｇＥＣ５０＝２．５４１－０．６４９ＥＬＵＭＯ＋０．２９９ＬｇＫｏｗ，ｎ＝１８，ｒ＝０．９０３，ＳＥ＝０．３１４应用所得方程计算了化合物的毒性，探讨了毒机理。     

苯酚类化合物对日本长腿蛙蝌蚪的急性毒性与构效关系研究

利用半静态法测定了21种取代苯酚类化合物对日本长腿蛙蝌蚪的24h 急性致死毒性(24h-LC50),并进行了定量结构活性相关研究.研究表明:大部分酚类化合物的毒性表现为极性麻醉作用.影响毒性的因素有化合物的疏水性、电性及离解行为等.     

氯代苯胺对斑马鱼的急性毒性的电性拓扑研究

基于拓扑理论计算了7种氯代苯胺分子的Kier和Hall的原子类型电性拓扑状态指数(E)f。通过多元线性回归和最佳变量子集回归方法建立了氯代苯胺对斑马鱼急性毒性(pLC5)0与其电性拓扑状态指数的最佳二元定量构效关系(QSAR)模型,其传统判定系数(R)2为0.978,逐一剔除法(LOO)的交互验证系数(Q)2为0.964。根据统计学观点,该模型具有良好的稳健性及预测能力,用该模型给出的估算值和实验值非常接近,优于相关文献的计算结果。从进入该QSAR模型的2个电性拓扑状态指数(E9,E2)6可见,所建的数学方程显示芳环内=C<及硝基中氮原子(=N≤)是影响其pLC50的主要结构因素。     

基于等级全息建模的输油泵机组风险根源辨识*

为“挖掘”输油泵机组风险根源，降低设备预知性维护难度，结合输油泵多准则风险评价，提出1种基于等级全息建模的输油泵机组风险根源辨识方法，运用等级全息建模方法将输油泵系统分解为泵体结构、管理因素、环境因素、操作因素、技术因素、运行因素、设备安装7个子系统进行定性和定量分析。结果表明:相比危险与可操作性分析（HAZOP）、事故树分析（FTA）等传统风险辨识方法，等级全息建模（HHM）对轴承等关键部件以及压力等运行参数的监测更为深入，能够有效辨识输油泵机组高风险情景，提升输油泵的风险辨识效率。