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。     

基于MSPA与MCR模型的余江县生态网络构建基于MSPA与MCR模型的余江县生态网络构建

在我国社会经济快速发展的背景下,城市化进程的不断推进导致城市生态斑块日益减少,生态环境问题正在逐年增加,构建生态网络是改善城市生态环境与服务功能的有效方法之一。以余江县为研究区,采用形态学空间格局分析(MSPA)方法和景观指数法,提取对生态网络具有重要意义的生态源地,并基于MCR模型构建综合阻力面,采用最小成本路径方法生成潜在廊道,再基于重力模型、中介中心度等对关键廊道及踏脚石斑块进行识别并提取,从而构建研究区潜在生态网络。结果表明：MSPA方法能够与MCR模型有机的结合,通过定量的分析识别出研究区潜在生态廊道,并根据斑块的中介作用选定踏脚石斑块,明确研究区景观要素的保护优先度,将景观中的潜在生态源地及廊道作为生态网络构建的主要依据,能够更加科学地为余江县生态网络的构建提供指导,同时也可为其他区域提供参考。     

分子筛催化剂生产废水的生物处理

采用氨化—硝化—反硝化三段联合生物工艺处理分子筛催化剂生产过程中产生的含有机胺废水。实验结果表明：在氨化过程中,当进水COD稳定为1 200~1 600 mg/L时,出水COD低于300 mg/L,COD去除率稳定在80%左右,当进水ρ（有机氮）为100~160 mg/L时,出水ρ（有机氮）均低于30 mg/L,有机氮去除率大于80%,在整个氨化过程中,出水ρ（氨氮）较进水ρ（氨氮）提高了35~200 mg/L;硝化过程中,当进水ρ（氨氮）小于等于300 mg/L时,出水ρ（氨氮）最终稳定在15 mg/L以内,氨氮去除率大于90%;在反硝化过程中,亚硝酸盐氮去除率基本稳定在98%以上,最终出水COD低于80 mg/L,出水ρ（总氮）低于25 mg/L。     

表面活性剂改性4A分子筛对Cr(VI)的吸附行为

采用浸渍法对4A分子筛进行表面改性,通过引入阳离子表面活性剂,使4A分子筛表面附着季铵型阳离子,并与反离子Br-形成"阴离子交换膜",从而促使更多的Cr(VI)阴离子通过离子交换吸附到改性4A分子筛上,通过X-射线衍射(XRD)和傅里叶变换红外光谱(FTIR)对样品的物相结构和组成进行表征分析。研究表明,表面活性剂的类型和疏水碳氢链结构会影响4A分子筛的吸附能力,十八烷基三甲基溴化铵(OTAB)碳氢链长,在分子筛表面形成的双分子层密,对Cr(VI)的吸附量最大。采用准一级、准二级、Elovich和Bangham动力学模型对六价铬的吸附数据进行拟合,其中准一级动力学方程最符合十八烷基三甲基溴化铵改性分子筛的吸附行为。同时,分别从Langmuir和Redlich-Peterson等温吸附模型获得六价铬的最大吸附量为13.98 mg/g,且改性分子筛以均一表面吸附为主。     

In vitro toxicity of fungicides with different modes of action to alfalfa anthracnose fungus,Colletotrichum destructivum

Abstract

Sensitivity of 24 isolates of Colletotrichum destructivum O’Gara, collected from alfalfa plants in Serbia, to eight selected fungicides, was investigated in this study. Molecular identification and pathogenicity test of isolates tested were also performed. Fungicide sensitivity was evaluated in vitro, using mycelial growth assay method. All isolates exhibited significant pathogenicity, causing necrosis at the alfalfa seedling root tips two days after inoculation. Using the primer pair GSF1-SR1 and by comparing the amplified fragments of the tested isolates with the marker (M), the presence of the amplicon of the expected size of about 900?bp was determined for all isolates. The isolates tested in this study showed different sensitivity towards fungicides in vitro. Mycelial growth was highly inhibited by QoI (quinone outside inhibitors) fungicide pyraclostrobin (mean EC₅₀=0.39?µg mL^?1) and by DMI (demethylation-inhibiting) fungicide tebuconazole (mean EC₅₀=0.61?µg mL^?1), followed by azoxystrobin (mean EC₅₀=2.83?µg mL^?1) and flutriafol (mean EC₅₀=2.11?µg mL^?1). Multi-site fungicide chlorothalonil and MBC (methyl benzimidazole carbamate) fungicide thiophanate-methyl evinced moderate inhibition with mean EC₅₀=35.31 and 62.83?µg mL^?1, respectively. Thirteen isolates were sensitive to SDHI (succinate dehydrogenase inhibitors) fungicide boscalid and fluxapyroxad, (mean EC₅₀=0.49 and 0.19?µg mL^?1, respectively), while the rest of isolates were highly resistant.     

活性艳橙K-7R分子印迹聚合物微球的制备及结合特性研究

以微米级聚苯乙烯微球为种球,活性艳橙K-7R为模板分子,甲基丙烯酸为功能单体,乙二醇二甲基丙烯酸酯为交联剂,采用单步溶胀聚合法在水相中制得了分子印迹聚合物微球(MIPs),并用平衡吸附实验研究了其吸附性能。通过Scatchard分析,结果表明,MIPs在识别K-7R过程中存在两类结合位点,高亲和力结合位点的平衡离解常数Kd1=14.855μmol/L,最大结合量Qmax1=1.282μmol/g;低亲和力结合位点的平衡离解常数Kd2=70.939μmol/L,最大结合量Qmax2=3.930μmol/g。该MIPs对K-7R有较高的亲和性和选择性。     

高分子量高纯度阳离子聚丙烯酰胺的合成

以丙烯酰胺与丙烯酰氧乙基三甲基氯化铵为单体,在复合引发剂的作用下,选择水溶液共聚法合成高分子量与高纯度阳离子型聚丙烯酰胺(CPAM)。实验表明,有机偶氮引发剂A用量0.5‰、氧化还原引发剂用量0.45‰、还原剂与氧化剂摩尔比2∶1、反应体系pH为4与反应时间5 h条件下,CPAM分子量为1 042万,且溶解性好。通过对聚合物残单含量影响因素添加剂用量、反应时间的研究,结果表明,添加剂EDTA和增溶剂D对残留AM含量影响小,而苯甲酸钠对聚合物残留AM的含量影响显著;延长反应时间至7 h,残单含量可降低至0.27%,CPAM的纯度高。通过与国内外3种同类型产品进行对比,结果表明,自制产品的分子量明显高于其他产品,且残单含量比国内产品降低了50%～75%。     

土壤-植物系统中磷和砷相互作用关系的研究进展

砷元素导致的环境污染问题日益突出,施磷已成为植物修复砷污染土壤过程中必要强化措施之一。土壤-植物系统中磷和砷的相互作用关系是非常复杂的,研究表明：磷和砷在土壤中往往是共生的,但又存在竞争吸附关系;磷和砷在不同植物中的相互作用关系主要有拮抗效应和协同效应;有必要通过分子生物学手段对磷和砷表达基理进行深入研究,获得对砷具有超积累能力的植株。     

CuO（-CeO2）/SBA-15对萘氧化的催化活性及CO2选择性研究

通过浸渍法制备CuO/SBA-15和CuO-CeO2/SBA-15两种介孔材料催化剂,采用BET、XRD、TPR和XPS等对催化剂进行表征,重点考察催化剂对萘氧化反应的催化活性及对产物CO2的选择性。BET、XRD和XPS等实验结果表明CuO高度分散于介孔分子筛SBA-15中,CeO2可促进CuO在载体上的分散,同时能降低催化剂的TPR还原温度。活性测试结果表明CuO/SBA-15对萘氧化反应的催化活性较高,但是催化氧化的CO2选择性较低,温度在380℃时CO2的生成率仅为60%左右;CeO2的添加不仅提高了CO2的生成率,15%CuO-15%CeO2/SBA-15在325℃使CO2生成率达到99%,而且CeO2增强了催化剂的稳定性。     

A level change in mutagenicity of Japanese tap water over the past 12 yr

A relative comparison study of mutagenicity in Japanese tap water was conducted for 1993 and 2005 surveys. It intended to assess the effects of advanced water treatment installations to water works, improvement of raw water quality and improvement of residual HOCl concentration controlling. Sampling points (taps) were the same in both surveys. The results of 245 samples obtained by the Ames Salmonella mutagenicity test (Ames test) were analyzed. The Ames tests were conducted by using Salmonella typhimurium TA98 and TA100 strains with and without exogenous activation (S9). With the exception of TA100-S9, the other conditions needed no discussion as a factor in the mutagenicity level change. The average mutagenicity in 1993 and 2005 under the conditions of TA100-S9 were 2600 and 1100 net revertant L⁻¹, respectively. This indicated that the mutagenicity level of Japanese tap water decreased during the 12-yr period. Particularly a remarkable decrease in mutagenicity was observed in the water works where the advanced water treatments were installed during the 12-yr period. The advanced water treatments were effective in decreasing the mutagenicity of tap water. Mutagenicity also decreased in the water works with conventional water treatments; the improvement of residual HOCl concentration controlling was also considered to be effective in decreasing the mutagenicity of tap water.