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。     

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%。     

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。     

大气中酮类化合物污染事故应急监测

研究了大气中低分子量酮类化合物的气相色谱测定方法 ,进行了线性范围、精密度和准确度实验。结果表明 ,该方法具有简便快捷、准确灵敏的特点 ,适合于大气污染事故应急监测     

Mercury pollution in a mining area of Guizhou,China: Fluxes over contaminated surfaces and concentrations in air,biological and geological samples

A dynamic flux chamber has been used to estimate fluxes of mercury over different types of surfaces in an abandoned open‐cut mine of Tongren prefecture, Guizhou province, China during spring and summer of 1996. The highest fluxes were obtained over cinnabar slag and contaminated soils, whereas the emissions above cinnabar ore were substantially lower. These fluxes was scaled up to estimate the contribution of mercury emissions to air from mercury wastes, compared to anthropogenic activities in the province of Guizhou, China. Atmospheric mercury concentrations measured were enhanced in the mining area (<1.3 μg m^‐3) compared to regional background sites (1.8–5.1 ng m^‐3). The spreading of mercury was estimated by using biological and geological samples. Moss bags have been employed to estimate long‐time dry‐ and wet‐deposition to this area.