Aryl hydrocarbon receptor activities of hydroxylated polycyclic aromatic hydrocarbons in recombinant yeast cells

Hydroxylated polycyclic aromatic hydrocarbons (OH-PAH) with less than four rings are frequently found in the environment, whereas the toxicities associated with these compounds remain unclear. In this study, aryl hydrocarbon receptor (AhR)–ligand binding activities of OH-PAH were investigated by using a recombinant yeast assay system. The majority of the OH-PAH tested showed AhR–ligand binding activities, especially, when the hydroxylated derivatives of naphthalene were incubated with recombinant yeast. The structure–activity relationship between AhR activity and molecular weight or the octanol–water partition coefficient value of OH-PAH displayed significant correlations. These findings indicate that the site and number of hydroxy-groups substituted on PAH skeleton apparently influenced the AhR – ligand binding activity in the recombinant yeast assay.     

基于基团贡献法的有机化合物好氧生物降解预测模型研究

从MITI-Ⅰ试验中筛选出587种不同类型有机化合物的可用数据,通过对这些物质的结构进行拆分,随机选择其中50种化合物作为验证集,另外537种作为训练集,利用多元线性回归(MLR)和支持向量机(SVM)2种计算方法分别建立模型。结果表明,芳香酸、醛、芳香碘和叔胺等功能基团对有机化合物的好氧生物降解性影响较大;MLR模型总体预测正确率为81.43%,验证集正确率为82%,SVM模型总体预测正确率为87.90%,验证集正确率为86%。所建立的2种定量结构与生物降解性关系(QSBR)模型有效,可用于化学品的好氧生物降解性评价。     

The development of a movement-density relationship for people going on four in evacuation

Occupant movement in evacuation models has been simulated and predicted based on a number of variables, including crowd density. This study investigates the relationship between crowd density and occupant crawling movement, as a physical response to environmental conditions in fire. It is an attempt to generate the fundamental speed-density relationship that has been developed for walking movement. This is conducted by examining the impact of population size and exit access width on crowd walking and crawling speeds on a flat surface. The findings of the study suggest that exit access width has a significant impact, whereas occupant configuration (population size) plays less of a factor. The results further demonstrate that there is a significant difference in the crawling speed given the exit access width available, due to the secondary effect of crowd density. The relationship between crowd crawling speed and density is best represented by a quadratic regression model. The study concludes with the need to continuously develop new predictive movement methods, or enhance existing ones in order to cope with the level of detail required to ensure occupant safety and model complexity.     

长江中游湿地系统驱动关系的演变及保护展望

简要介绍了长江中游湿地的概况,分析了湿地演变的现状。在自然和人为因素长期、综合作用下,长江中游湿地发生了显著的不合理演变,主要表现在：湖泊面积减少,湿地功能下降;湿地资源的过度和不合理利用,生物多样性下降;湿地环境污染日益严重;湿地整体价值受损。重点对湿地系统演变过程中的几个关键驱动关系进行了探讨,包括江湖关系、蓄泄关系、湖垸关系和山湖（河）关系等。在此基础上,针对长江中游湿地演变的现状和利用保护过程中存在的问题,从流域综合管理角度出发,对长江中游湿地的保护进行了展望,提出了基于流域管理思想的长江中游湿地保护对策和措施,主要包括：加强流域统一协调管理;遵循流域管理原则,理顺湿地系统的各种关系,做好湿地生态规划;加强流域生态管理模式研究;加强长江中上游流域水土流失的综合治理;加强自然保护区建设和管理,保护湿地生物多样性。     

1-取代-2-氨基苯并咪唑化合物毒性和热力学性质的密度泛函理论研究

用密度泛函理论(DFT)B3LYP方法,在6-31G(d)基组水平上,对8个1-取代-2-氨基苯并咪唑化合物分子进行了全优化计算,得到其轨道能(ENHOMO、ENLUMO以及二者轨道能隙ΔE2)、原子电荷(Q)等量子化学参数,以及热能校正值Eth、恒容热容Cv、熵S等热力学性质,并计算了8种1-取代-2-氨基苯并咪唑化合物分子的电性拓扑状态指数Em。通过最佳变量子集回归建立这些化合物毒性的QSAR模型,以及热力学性质的QSPR模型。模型的相关系数R2和采用逐一剔除法得到的交叉验证相关系数R2cv均大于0.84和0.72,利用2个模型得到毒性的预测值与实验值的误差分别为0.11和0.20,3个热力学性质预测模型的误差分别为3.89%、4.03%和2.64%,吻合度较好,经检验证明所建模型具有良好的鲁棒性和预测能力。研究工作揭示了基团对毒性大小影响的变化规律、有利于对苯并咪唑类化合物在生态环境中的危害性进行评价,可为研发高效、低毒的苯并咪唑类新型药物提供理论依据。     

CO2浓度升高对湖泊浮游藻类与浮游细菌耦合关系的影响

采用控制空气CO2浓度的围隔体系(P1: 400×10-6体积分数,下同,P2: 800×10-6,P3: 1200×10-6),在不同空气CO2浓度条件下,分析水华微囊藻对CO2的同化作用和异养细菌对藻源性有机碳的异化作用,以及二者出峰时间耦合关系的变化.结果表明,CO2浓度升高能够促进水华微囊藻的生长,P1、P2和P3条件下藻的数量分别达9.4×106,1.1×107,1.5×107cells/mL.同时高浓度CO2降低了藻细胞内酯酶活性但并未影响藻达到峰值所需时间.在不同CO2浓度水平下,浮游细菌达到峰值的时间顺序是P1(12d)vP2>vP1,细菌活性是P3>P2>P1.高CO2浓度条件下,浮游藻类呈现高生物量和低活性的状态,而浮游细菌呈现低生物量和高活性的状态,反映出CO2浓度的改变对同化和异化作用不同的影响机制.因此,CO2浓度升高后导致的浮游藻类生物量的积累可能无法通过促进浮游细菌的生长达到有效转化.     

A2O-BAF工艺反硝化聚磷效果的影响因素

为了提高系统的反硝化除磷脱氮效率,采用静态试验考察了厌氧反应时间和厌氧段COD对A2O-BAF工艺反硝化聚磷效果的影响,同时对缺氧阶段反硝化聚磷量与脱氮量之间的关系进行了探讨.试验结果发现,在试验范围内,随着厌氧反应时间和厌氧段COD的增加,厌氧释磷量均增加,反硝化聚磷量,净聚磷量和硝氮去除量亦都随之增加,但是反硝化聚磷量与释磷量的比值基本维持不变.在2组8个不同的试验条件下,缺氧段反硝化聚磷量和脱氮量之间均呈现出良好的线性关系,系数为1.007~1.053,R2为0.992~0.997,反映了A2O-BAF系统中污泥的固有特性.     

冬季APEC峰会前后室内外VOCs相关性分析

为研究冬季VOCs类物质的室内外相关性,于2014年11月5日~12月11日对一间无人为活动的房间的空气进行了室内外同步采样,定量分析了98种VOCs物质,并将其分为烷烃、烯烃、芳香烃、卤代烃和含氧烃五类,分别讨论了VOCs的浓度水平、I/O、室内外相关系数和分类间的相关系数,并利用质量平衡模型初步估计了室外源对室内VOCs的贡献情况.研究表明,五类VOCs的室内浓度均大于室外浓度,且烷烃>含氧烃>卤代烃>烯烃;五类VOCs均同时存在室内源和室外源;对于VOCs的室内外相关性,烯烃和含氧烃分别为相关性最差和最好的组分,同时,r(卤代烃)>r(烷烃)>r(芳香烃);对于物质间的相关性,烷烃-烯烃的相关性在室内外均最高(rin=0.805,rout=0.888,P￡0.01),卤代烃-含氧烃之间的相关性最差(rin=0.491,P￡0.05;rout=0.529,P￡0.01);室外源对室内浓度的贡献率与VOCs的种类相关,贡献率均值最高的是卤代烃类(56.57%),之后依次是烷烃(46.64%)、烯烃(40.10%)、含氧烃(33.98%)和芳香烃(20.67%).此外,APEC峰会后VOCs的浓度水平、I/O、室内外相关性以及物质间的相关性均高于峰会前的对应值.     

MAPPING REGIONAL PRECIPITATION INTENSITY DURATION FREQUENCY ESTIMATES1

ABSTRACT: For regional precipitation frequency analyses, methods are needed to spatially interpolate or smooth point intensity duration frequency (IDF) estimates at gage sites for the purposes of visualization and estimation at ungaged sites. In this study to update IDF estimates for Michigan, the assumption is made that for practical purposes, the entire state may be treated as a homogeneous region in which annual maximum precipitation is identically distributed at each site apart from a site‐specific scaling factor, commonly known as the index flood. Several interpolation and smoothing techniques are evaluated for IDF estimation at ungaged sites, including trend surface analysis, thin plate splines, inverse distance weighting, and several kriging algorithms. Ordinary block kriging is recommended as a practical and objective method for smoothing the variability in the index flood values and developing isopluvial maps.     

生活污水典型有机污染物与ASMs模型水质特性参数相关性研究

研究了生活污水中典型有机污染物糖类、蛋白质、油脂以及直链烷基苯磺酸钠（LAS）对生活污水中COD的贡献率,采用硝酸盐利用速率法（NUR）测定了活性污泥数学模型（ASMs）中的有机水质特性参数,分析了单一糖类、蛋白质、油脂、LAS对有机水质特性参数的影响,并给出了生活污水中这4种有机污染物与ASMs有机水质特性参数S_S、X_S、S_I、X_I的相关关系.结果表明,反硝化条件下异养菌产率系数为0.683;蛋白质、糖类、油脂和LAS分别占COD的24%～35%、 17%～35%、 5.78%～10.56%和 3.77%～7.23%,是污水中COD的主要化学组成成分;该污水中的快速生物降解物质占总COD的22%～29%,慢速可生物降解物质占29%～38%;生活污水中糖类、蛋白质、油脂、LAS这4种典型有机物的浓度与ASMs的水质特性参数S_S、X_S、S_I、X_I的相关性较好,相关系数>0.9.