A fragment constant QSAR model for evaluating the EC50 values of organic chemicals to Daphnia magna.

The quantitative relationship between the median effective concentration (EC50) of organic chemicals to Daphnia magna and the number of molecular fragments was investigated based on experimental EC50 values for 217 chemicals derived from the literature. A fragment constant model was developed based on a multivariate linear regression between the number of fragments and the logarithmically transformed reciprocal values of EC50. Functional correction factors were introduced into the model. The model was verified using an independent set of randomly selected data. The mean residual of the final model was 0.4 log-units. The robustness of the model was discussed based on the results of three jackknife tests.     

Initial ecological risk assessment of eight selected human pharmaceuticals in Japan.

Eight pharmaceuticals were selected on the basis of their domestic consumption in Japan, the excretion ratio of the parent compound and the frequency of detection in the aquatic environment or wastewater treatment plant effluent. Toxicity tests on these pharmaceuticals were conducted using Japanese medaka (Oryzias latipes), daphnia (Daphnia magna), and green algae (Psuedokirchneriella subcapitata). Predicted no effect concentration (PNEC) was calculated using lethal or effect concentration 50 (LC50 or EC50) values and no effect concentration (NOEC) obtained in the toxicity tests for these compounds. Predicted environmental concentration (PEC) was also calculated from annual consumption, the excretion rate of the parent compound, and removal rate in the preliminary batch activated sludge treatment performed in this study. Maximum concentrations found in the aquatic environment or sewage effluent in Japan or foreign countries were also used for another calculation of PEC. Initial risk assessment on the selected pharmaceuticals was performed using the PEC/PNEC ratio. The results of initial risk assessment on the eight selected pharmaceuticals suggest neither urgent nor severe concern for the ecological risk of these compounds, but further study needs to be conducted using chronic toxicity tests, including reproduction inhibition and endocrine disruption assessments.     

织物干洗的工业生态研究

正确评价干洗剂对人体的毒副作用，合理地设定干洗过程挥发性有害物质的残留限量，是开发干洗业环境无害技术和绿色服务的先决条件。只有在充分保证环境安全的前提下，通过逐步推行化学清洁产品的总体选择战略，从环境管理和经济发展的结合上来规范企业的环境行为，才能最终实现干洗业的可持续发展。     

2015~2021年青藏高原地表臭氧时空变化及驱动因素分析

基于青藏高原12个城市2015~2021年的大气污染监测数据和气象数据,分析了青藏高原地表臭氧（O₃）时空分布格局. 采用KZ滤波将O₃-8h原始序列分解为不同时间尺度的分量,并利用气象变量的多元线性回归定量地分离出气象和排放的影响. 结果表明,2015~2021年青藏高原12个城市地表ρ（O₃-8h）均值为78.7~156.7 μg·m^-3,O₃浓度超标率（国家二级标准）为0.7%~1.5%. O₃-8h月浓度变化呈单峰倒“V”型和多峰“M”型,浓度峰值出现在4~7月,谷值多出现在7月、 9月和12月. 经KZ滤波分解的O₃-8h短期、季节和长期分量对12个城市O₃-8h原始序列总方差的贡献率分别为29.6%、 51.4%和9.1%. 从整个区域看,2015~2017年气象条件对青藏高原O₃降低不利,使得O₃-8h长期分量升高0.2~2.1 μg·m^-3. 2018~2021年气象有利于O₃浓度降低,导致O₃-8h长期分量降低0.4~1.1 μg·m^-3. 气象条件增加了阿里、拉萨、那曲、林芝、昌都、海西和西宁的O₃-8h长期分量,其平均贡献率为30.1%. 气象条件降低了日喀则和果洛的O₃-8h长期分量,贡献率分别为359.0%和56.5%. 阿里、日喀则、那曲、海西和西宁O₃-8h长期分量的上升可能是由于PM_2.5长期分量快速下降[4.04 μg·（m³·a）^-1]导致.     

Influence of clay minerals on the reduction of Cr6+ by citric acid

The influence of clay minerals on the reduction of Cr6+ by citric acid was investigated at pH values 4.0, 4.5 and 5.0 at 25 degrees C. The results indicate that montmorillonite and illite greatly accelerate the reduction reactions at pH 4.0 and 4.5, but their effects are dramatically reduced at pH 5.0. The role of clay minerals in accelerating the reactions is in the order: illite>montmorillonite>kaolinite, which has a positive correlation with the amount of Mn2+ adsorbed on the surfaces of these minerals. With light, Fe(3+) also significantly increases reaction rates. Ethylenediaminetetraacetic acid (EDTA) greatly suppresses the acceleration of the reduction reactions by these minerals, indicating that EDTA competes with citric acid for Mn2+. Thus, the formation of complexes between Mn(2+) and citric acid could be a prerequisite for the acceleration of the reductions of Cr6+ by clay minerals. In addition, there is no relationship between the specific surface area of clay minerals and the reduction rate of Cr6+ by citric acid.     

基于Arrhenius模型和Peck模型的分段非线性加速模型

目的 解决Arrhenius模型无法估计湿度应力敏感产品和Peck模型试验时间较长的问题。方法 考虑温度应力和湿度应力对产品贮存寿命的综合影响,在产品激活能不变的假设下,将Arrhenius模型对产品激活能的估计和Peck模型对湿度应力参数的估计相结合,建立Arrhenius&Peck分段非线性加速寿命估计模型。基于此模型,在双应力恒加试验条件下,得到产品的寿命估计方程。结果 以弹上电子产品的恒定应力加速贮存试验为例,进行仿真分析,得到产品寿命的估计,并对比产品实际寿命。Arrhenius&Peck模型的寿命误差和失效率误差均控制在5%以内,准确度高于Arrhenius模型和Peck模型。结论 构建的Arrhenius&Peck分段非线性加速寿命模型可以充分利用温度和湿度条件下的试验数据,对温湿敏感产品的寿命估计有较好的应用效果,为导弹产品的寿命估计提供一种可选方法。     

南京江北酸雨分布特征及其与气象条件的关系

通过对南京江北区降水酸性及成分进行了全面系统的测定和分析,发现南京江北酸雨大大重于市区,并具有秋高春低,雨水离子浓度高,电导值大,强酸度与高发率同时出现等明显分布特征。气象条件影响主要表现为:大气降水量、气温和相对湿度与酸雨pH和电导值呈反相关,与酸雨频率呈正相关;大气压强与酸雨pH和电导值呈正相关,与酸雨频率呈反相关;风向风速对酸性污染物输送具有明显的引导作用;冬春季节沙尘和灰霾天气入侵对酸雨具有减缓效应。     

工业园能源代谢分析

运用工业代谢分析方法对某农药化学工业园能源代谢系统进行量化分析. 结果表明:提升能源转化水平、改善能源利用效率是优化该工业园能源系统的2个有效途径,可减少能源代谢过程中的资源消耗与环境压力. 进一步根据能源代谢模型量化分析得出,提升工业园热电厂运行水平,达到供热煤耗0.043 t/GJ,供电煤耗4.538 t/(104 kW·h)(2004年江苏省平均水平),将较2005年水平减少原煤消耗35.31%;将能源利用水平较低企业的电力利用效率和蒸汽利用效率分别提高到园区平均水平(58.01%和63.84%),可较2005年水平减少原煤消耗2.5%左右.      

天津地区鱼塘水、悬浮物、沉积物和鱼体中的DDT

采样测定了天津地区2典型鱼塘鲫鱼、鲢鱼、水、悬浮物、沉积物和鱼塘周边表土中的DDT及其代谢产物含量。结果发现,2鱼塘各主要介质以及鱼体肌肉和器官中都富集了较高浓度的DDT。鲫鱼和鲢鱼肌肉中DDT的含量分别为(66.4±2.7)ng·g-1和(24.3±23.4)ng·g-1。肝胰脏、肠和鱼鳃中DDT含量一般高于肌肉,其中肠的富集量最大,是肌肉的3倍以上。生物富集系数(lgBCF)分别为3.7和3.3。2鱼塘鱼体和各相含量有较大差别,鱼塘介质中悬浮物富集浓度最高。表土污染相对严重地区的鱼塘中各介质和鱼体DDT含量均高于另一污染较轻的鱼塘。污染严重鱼塘的DDE/ΣDDT含量比值也相对较高,反映早期污染残留的重要特征。尽管如此,仍然较高的DDT含量以及悬浮物中很低的DDE/ΣDDT含量比值说明很可能还有污染源存在。     

炼焦过程挥发性有机物排放特征及其大气化学反应活性

利用不锈钢采样罐和全自动预浓缩/GC/MS系统,在58-Ⅱ型和JN43-80型焦炉顶测试了炼焦过程中挥发性有机物(VOCs)中各组分的浓度,研究了VOCs排放特征,结合OH自由基消耗速率分析了这些物质的反应活性.研究发现,在装煤时刻和炼焦过程中,58-Ⅱ型焦炉产生的总挥发性有机物(TVOCs)浓度分别为7022 μg·m-3和6266μg·m-3;JN43-80型焦炉产生的TVOCs浓度分别为4185 μg·m-3和3298μg·m-3.装煤时刻产生的TVOCs浓度明显高于炼焦过程产生的.炼焦过程(包括装煤时刻)无组织排放的VOCs,包含烯烃、烷烃、芳香烃、卤代烃以及少量的醛和酮,其中乙烯、乙烷、丙烯、苯以及甲苯等为主要成分.这些产生的VOCs反应活性各不相同,活性最大的是烯烃类物质.其活性占TVOCs反应活性比重为86.2%±2.1%;其次是芳香烃类物质,其活性比重为9.2%±3.1%;反应活性最大的5个物种分别是丙烯、乙烯、1,3-丁二烯、1-丁烯以及苯乙烯.