Octanol–air partition coefficients of polybrominated biphenyls

The octanol–air partition coefficients (K_OA) for PBB15, PBB26, PBB31, PBB49, PBB103 and PBB153 were determined as a function of temperature using a gas chromatographic retention time technique with 1,1,1-trichloro-2,2-bis (4-chlorophenyl) ethane (p,p′-DDT) as a reference substance. The internal energies of phase change from octanol to air (Δ_OAU) were calculated for the six compounds and were in the range from 74 to 116 kJ mol⁻¹. Simple regression equations of log K_OA versus relative retention times (RRTs) on gas chromatography (GC), and log K_OA versus molecular connectivity indexes (MCI) were obtained, for which the correlation coefficients (r²) were greater than 0.985 at 283.15 K and 298.15 K. Thus the K_OA values of the remaining PBBs can be predicted by using their RRTs and MCI according to these relationships.     

Responses of Physical, Chemical, and Biological Indicators of Water Quality to a Gradient of Agricultural Land Use in the Yakima River Basin, Washington

The condition of 25 stream sites in the Yakima River Basin, Washington, were assessed by the U.S. Geological Survey's National Water-Quality Assessment Program. Multimetric condition indices were developed and used to rank sites on the basis of physical, chemical, and biological characteristics. These indices showed that sites in the Cascades and Eastern Cascades ecoregions were largely unimpaired. In contrast, all but two sites in the Columbia Basin ecoregion were impaired, some severely. Agriculture (nutrients and pesticides) was the primary factor associated with impairment and all impaired sites were characterized by multiple indicators of impairment. All indices of biological condition (fish, invertebrates, and algae) declined as agricultural intensity increased. The response exhibited by invertebrates and algae suggested a threshold response with conditions declining precipitously at relatively low levels of agricultural intensity and little response at moderate to high levels of agricultural intensity. This pattern of response suggests that the success of mitigation will vary depending upon where on the response curve the mitigation is undertaken. Because the form of the community condition response is critical to effective water-quality management, the National Water-Quality Assessment Program is conducting studies to examine the response of biota to gradients of land-use intensity and the relevance of these responses to water-quality management. These land-use gradient pilot studies will be conducted in several urban areas starting in 1999.     

Co3O4/介孔分子筛催化剂对苯催化完全氧化的研究

分别以介孔分子筛MCM-41、MCM-48、SBA-15为载体,采用等体积浸渍法制备了氧化钴/介孔分子筛催化剂,利用N₂吸附、X射线衍射、程序升温还原等技术对催化剂进行了表征,考察了Co₃O₄的负载量及载体的孔结构对催化剂完全催化氧化苯的性能的影响。结果表明,Co₃O₄的负载量为20%时,催化剂的催化活性最好;载体的孔径和催化剂的可还原性能是影响催化活性的主要因素,催化剂活性顺序为Co₃O₄ /SBA-15> Co₃O₄ /MCM41> Co₃O₄ /MCM-48。     

一个新的拓扑指数用于芳烃化合物溶解度、分配系数及生物毒性的研究

在分子拓扑理论的基础上,提出了一个新的拓扑指数Yx,并用Yx研究了芳烃化合物的溶解度、分配系数及生物毒(活）性,给出了相关方程。结果表明,新方法计算方便,物理意义明确,预测值与相应的实验值较吻合。     

生态城市的构架理论研究

生态城市的建设是可持续发展战略的一项重要内容。近几年关于生态城市的研究较多,然而生态城市的构架体系至今不明确。文章探讨了生态城市的内涵、特征和指标体系等构架理论,提出了创建生态城市的基本策略,以期推动我国生态城市的建设工作。     

气相分子吸收光谱法测定地表水中硫化物

采用气相分子吸收光谱法测定地表水中硫化物,方法检出限为0.002 mg/L,水样加标回收率为96.5%~107%,精密度(RSD,n=6)为0.08%~1.38%。实验结果表明:该方法准确可靠、灵敏度好、操作简便,适用于地表水中硫化物分析要求。     

气相分子吸收光谱法测定印染废水中氨氮的影响因素

采用气相分子吸收法光谱测定印染废水中的氨氮,并对相关影响因素进行探讨。结果证实,硫化物和尿素会对氨氮的测定产生负干扰,硫化物干扰可用乙酸锌-乙酸钠固定液沉淀法去除,尿素干扰可以用稀释法去除,但仅适用于氨氮质量浓度0.10 mg/L且稀释后尿素质量浓度≤100 mg/L的水样;苯胺、浊度和色度对测定无干扰,可直接检测。     

分子筛生产废水中悬浮物的絮凝与回用

对分子筛生产废水进行了絮凝沉降分离试验，确定了絮凝剂、助凝剂及絮凝敢分离条件。试验结果表明，絮凝沉降所得到的絮凝物料的化学组成、结构、性能与絮凝前原废水中的悬浮物基本一致，可返回原生产工序中使用。     

城镇化下平原水系变化及河网连通性影响研究

针对平原区城镇化背景下水系减少及连通受阻等下垫面变化引起的洪涝加剧问题,综合考虑水系结构和水力特性等因素,建立满足行洪排涝需求的平原水系连通度量方法,并以浙东沿海平原河网区为例,分析了城镇化下平原水系特征变化及其对河网连通度的影响。结果表明:1近20a来研究区水系数量和结构复杂性均存在不同程度的衰减,河网密度和水面率分别减少20%和30%左右,水系尤其是低等级河道的减少导致河网结构趋于骨干化;2河网连通度受水面率等数量特征和水系空间连接结构的共同影响,在水系数量持续减少情况下,整个河网连通度呈现先减少后增加的趋势,说明了骨干河道工程对水系空间结构特征的优化,可缓解水系减弱对河网连通的负面效应;3建立的河网连通度方法合理反映了水系数量和结构变化下的河网连通度演变规律,以及水系变化下区域排涝能力的空间差异特征,具有操作性强特点。     

计算毒理学在内分泌干扰物筛选上的应用和展望

内分泌干扰物通过干扰内分泌系统导致多种疾病,如生殖疾病、肥胖症甚至癌症。然而,面对环境中大量潜在的内分泌干扰物,传统的体外、体内评估方法由于成本高、耗时长等问题,难以实现内分泌干扰物的高通量筛查。计算毒理学逐渐发展成为被美国环保局(Environmental Protection Agency,EPA)、经济合作与发展组织(Organization for Economic Co-operation and Development,OECD)等机构所推荐的内分泌干扰物筛选与预测方法。本文综述了计算毒理学在内分泌干扰物筛选上的进展,主要包括分子对接和分子动力学模拟的应用,并对有害结局路径(adverse outcome pathway,AOP)的方法进行介绍和展望。