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。     

水体表面微层的环境化学研究

水体表面微层是大气和水体间的界面，其物理、化学和生物特性可影响水体中各种物质的存在形式及最终归缩。本文总结了近几十年的参考文献，对表面微层的采样及各类物质的表面微层的行为做了系统的论述，指出了研究的难点和今后的发展方向。     

Assessment of elemental distribution and trace element contamination in surficial wetland sediments, Southern Tibetan Plateau

In order to analyze and evaluate different trace metals on surface water of the Changjiang River, concentrations of dissolved trace metals (Cu, Ni, Fe, Co, Sc, Al, Zn, Pb, Cd, Se, As, Cr, and Hg), major elements(Ca and Mg), and nutrient(NO $_{3}^{-})$ were measured. Samples were taken at 76 positions along Changjiang River in flood and dry seasons during 2007?C2008. Spatial distributions identified two main large zones mainly influenced by mineral erosion (sites 1?C22) and anthropogenic action (sites 23?C76), respectively. Principal component analysis (PCA) and hierarchical cluster analysis were used to identify the variance distinguishing the origin of water. Four significant components were extracted by PCA, explaining 74.91% of total variable. Cu, Ni, Fe, Co, Sc, Al, Ca, and Mg were mainly associated with the weathering and erosion of various rocks and minerals, while an anthropogenic source was identified for Cd and As. Although erosion was one source of Pb and Zn, they were also input by atmospheric deposition and industrial pollutions. NO $_{3}^{-}$ and Se were mainly associated with agriculture activities. However, Hg and Cr showed different sources. CA confirmed and completed the results obtained by PCA, classifying the data into two large groups representing different areas. Group 1 referred to the upper reaches which represented samples mainly corresponding to natural background areas. Group 2 referred to the middle and lower reaches including samples under anthropogenic influence. Meanwhile, group 2 was subdivided into three new groups, representing agricultural, industrial, and various artificial pollution sources, respectively.     

Effects of adsorption onto silica sand particles on the hydrolysis of tetracycline antibiotics

Due to high usage of tetracycline antibiotics, concerns have been raised about their environmental fate. In this study, potential changes in the pseudo-first-order hydrolysis rate constants for three tetracyclines, tetracycline (TC), oxytetracycline (OTC) and chlortetracycline (CTC), were evaluated by measuring the rate constants in batch and column leaching experiments. The first-order hydrolysis rate constants were measured at pH 5, 7, and 9 using batch tests. The values were highest at pH 7 for all three tetracyclines (0.0030 ± 0.0004, 0.0042 ± 0.0001, and 0.0323 ± 0.0003 h(-1) for TC, OTC, and CTC, respectively), indicating relatively short environmental half-lives of tetracyclines. Interestingly, it was found that the rates of degradation of the parent tetracyclines were much faster when silica sand was present in a batch solution or when the solution was passed through a silica column. For example, the ratios of the first-order degradation rate constants obtained in the column experiments to those in batch experiments were 13.2, 2.1, and 2.0 for TC, OTC, and CTC at a volumetric flow rate of 0.08 mL h(-1), with an observed tendency for this ratio to increase with an increased flow rate. This indicates that the silica surface may serve as a catalyst for hydrolysis and that the actual environmental half-lives of tetracycline antibiotics could be shorter than those estimated from laboratory hydrolysis rate constants using the standard batch protocol. Furthermore, the toxicity of the column effluent containing hydrolysis metabolites was assessed using bioluminescence inhibition in Vibrio fischeri. It was estimated that the toxicity of the metabolites of CTC was lower than that of their parent compound, whereas the toxicity of metabolites of TC and OTC was as high as or higher than that of their parent compounds.     

Characteristics and sources of environmentally persistent free radicals in PM2.5 in Dalian,Northeast China: correlation with polycyclic aromatic hydrocarbons

Environmental Science and Pollution Research - Environmentally persistent free radicals (EPFRs) are an emerging class of environmental hazardous contaminants that extensively, stably exist in...     

制备块体纳米材料的新工艺——等径角挤压

综述了等径角挤压法制备块体纳米材料的发展及其工艺原理 ,并在此基础上论述了等径角挤压材料的微观结构及其应用 ,指出了等径角挤压法目前存在的问题。     

煤粉炉掺烧干化污泥的污染物排放研究

结合某电厂420 t/h四角煤粉炉掺烧污泥项目的实验室分析测试,了解煤粉掺烧不同含水率不同比例的干化污泥条件下烟气中污染物和灰渣中重金属的排放特性.结果表明,在实验研究配比和燃烧的条件下,大部分重金属元素Pb、Cu、Cr和Ni残留在灰渣中,Zn、Cd部分残留在灰渣中, As、Hg和Se等易挥发元素释放到烟气中,在灰渣中的含量很小.掺烧污泥后,灰渣中的重金属含量较单烧单煤都有了一定幅度的升高,Zn的含量是单煤的2倍,其余重金属是单煤的1.1~1.2倍.3种不同的掺混比例之间的污染气体排放浓度基本相似.烟气中主要污染物及重金属浓度可以满足现行国家标准.与单烧单煤相比,CO、HCl以及其他有机气体排放浓度基本相同;NH3的排放浓度较单煤有所升高;SO2、NOx和CO2排放浓度略有降低;飞灰浓度有所升高.烟气中的重金属,Hg含量升高了30%,Pb含量约为单煤的4.3~4.8倍.以上研究结果可为环保达标和飞灰利用提供基础数据.     

Modeling of a combined ultraviolet-biofilter system to treat gaseous chlorobenzene I: model development and parametric sensitivity

A new type of a combined ultraviolet (UV)-biofilter system for air pollution control is developed. In this paper, two conceptual mathematical submodels of the UV reactor and standalone biofilter are developed. All model parameters have been determined by independent experiments or have been taken from literature. Results from UV and the standalone biofilter submodels are in a good agreement with experimental data. However, the performance of the combined system has significantly deviated from those of the UV or standalone submodels because of the stimulating effects of UV irradiation products on the subsequent biofilter performance. A modified model that considers the stimulating effects has agreed well with experimental data over a wide range of operating conditions. Further analysis of the primary parametric sensitivity of the model has shown that inlet chlorobenzene concentrations, gas empty-bed residence time in the UV reactor, and light intensity are important operating conditions.     

常规水处理厂中小隐孢子虫卵囊的去除效果

介绍了小隐孢子虫卵囊的特点及其对人体的危害，分析了pH、混凝剂种类与投加量、电导率和天然有机物含量等对小隐孢子虫卵囊的Zeta电位的影响，总结了混凝－沉淀－过滤和直接过滤对小隐孢子虫卵囊的去除效果，探讨了水温、水质、混凝剂种类与投加量、滤料层组成和滤速等对去除效果的影响。     

Fe3O4-TiO2Al吸附剂去除水中氟离子

以实验室制备的Fe3O4-TiO2·nH2O·Al吸附剂处理模拟和实际含氟废水,探讨了吸附剂用量、体系pH、吸附温度和吸附时间等因素对F-吸附效果的影响。结果表明:在初始F-浓度16.1 mg/L,起始pH 8.0,吸附剂投加量5 g/L,室温(约25 ℃)下吸附15 min时,模拟和实际废水的出水F-均可达到3O4-TiO2·nH2O·Al具有一定的实际应用价值。含氟水溶液初始pH对Fe3O4-TiO2·nH2O·Al吸附F-性能影响较大。在pH 介于3.0~5.0 时,吸附容量较大,过高或过低都会导致吸附容量降低。Fe3O4-TiO2·nH2O·Al吸附F-的过程为放热反应,升温不利于F-的吸附。该吸附剂吸附F- 的过程为化学吸附,符合准二级动力学模型,等温线拟合接近Freundlich吸附等温线。