基于GLM模型和神经网络研究芳烃化合物对藻类毒性

工业的快速发展和溢油事故的频繁发生所产生的大量芳烃化合物正威胁海洋生态系统的健康,建立芳烃化合物物化性质与小球藻急性毒性间的非线性模型,是预测未知芳烃化合物对藻类毒性的主要手段之一.本研究以实验获取的25种芳烃化合物对小球藻96h的毒性数据为基础,采用密度泛函理论(DFT)中的B3LYP方法,在6-311G**基组上全优化计算25种芳烃化合物结构参数和热力学参数,通过逐步广义线性回归(GLM)、小波神经网络(WNN)和T-S模糊神经网络(T-SFNN)等方法,对芳烃化合物物化性质和藻类抑制毒性的非线性关系进行拟合和逼近.F检验表明,逐步GLM方程是显著的(p<0.001).配对t检验表明,GLM、WNN、T-SFNN3种模型都是可信的;决定系数(R2>0.96)表明3个模型具有很高的精确性.上述结果证明本文建立的模型具有良好的拟合度和解释能力,可以预测未知芳烃化合物对小球藻的急性毒性.模型误差计算结果表明,WNN的精度最高(mse=0.0076,mae=0.0533),采用WNN方法进行建模,预测未知芳烃化合物对小球藻的急性毒性是最合适的.     

氯代苯胺对斑马鱼的急性毒性的电性拓扑研究

基于拓扑理论计算了7种氯代苯胺分子的Kier和Hall的原子类型电性拓扑状态指数(E)f。通过多元线性回归和最佳变量子集回归方法建立了氯代苯胺对斑马鱼急性毒性(pLC5)0与其电性拓扑状态指数的最佳二元定量构效关系(QSAR)模型,其传统判定系数(R)2为0.978,逐一剔除法(LOO)的交互验证系数(Q)2为0.964。根据统计学观点,该模型具有良好的稳健性及预测能力,用该模型给出的估算值和实验值非常接近,优于相关文献的计算结果。从进入该QSAR模型的2个电性拓扑状态指数(E9,E2)6可见,所建的数学方程显示芳环内=C<及硝基中氮原子(=N≤)是影响其pLC50的主要结构因素。     

电子束辐照降解水体中的金霉素

应用电子加速器辐照研究了去除水体中金霉素（30mg/L）的过程,初步探索了剂量、不同气氛条件下叔丁醇的存在、pH值、无机阴离子等对去除效率的影响.然后根据实验结果推测了降解机理和降解产物毒性.结果表明：电子束辐照能高效去除水体中的金霉素,且还原性粒子占主导作用;pH值为碱性时利于金霉素的去除;0.005mol/LCO₃^2-、SO₄^2-、NO₃^-或Cl^-的存在能促进其去除.根据超高效液相色谱-质谱（UHPLC-MS）对降解产物的分析,并结合理论计算推测出10种降解产物和相应的降解途径.之后的费氏弧菌毒理实验数据显示：降解后水样的生物毒性随着吸收剂量先增高后缓慢降低,但辐照5.0kGy后毒性依然较大.     

铜、毒死蜱单一与复合暴露对蚯蚓的毒性作用

土壤环境中重金属-农药复合污染已经对土壤生态和人类生存环境构成严重威胁.其中重金属铜和有机磷农药毒死蜱作为土壤环境中两类常见的污染物,其复合污染的环境效应值得关注.本文采用OECD标准滤纸接触法、人工土壤法研究了铜-毒死蜱单一及复合暴露对蚯蚓急性致死作用及回避行为的影响.结果表明,滤纸法和人工土壤法Cu对蚯蚓急性毒性的48h-LC50和14 d-LC50分别为2.23μg·cm-2和496.05 mg·kg-1;而毒死蜱对蚯蚓急性毒性的48 h-LC50和14 d-LC50分别为5.94μg·cm-2和186.07 mg·kg-1.滤纸法和人工土壤法铜、毒死蜱浓度单位配比1∶1时,铜、毒死蜱对蚯蚓急性毒性联合作用类型均近似表现为相加作用,而毒性单位配比1∶1的滤纸法和人工土壤法试验结果分别为协同作用和拮抗作用.回避行为试验结果表明,铜、毒死蜱对蚯蚓回避行为的联合作用类型为拮抗作用.     

聚苯乙烯微塑料对铜绿假单胞菌生物膜形成和结构变化的影响

微塑料在水环境中的污染情况日益严重,对水生生物的生长发育造成严重影响,而目前有关微塑料对生物膜形成影响机制的研究十分有限.为探究聚苯乙烯微塑料（PS-MPs）对铜绿假单胞菌生物膜形成发育的影响,选用不同浓度和粒径PS-MPs进行暴露试验,研究其对生物膜内生物量、氧化应激水平、生物膜结构和群体感应系统的影响.结果表明,PS-MPs诱导严重氧化应激反应并抑制生物膜形成和发育,粒径越小,产生的抑制作用越强烈,抑制效果表现为0.1 μm>0.5 μm≈1 μm>5 μm.PS-MPs通过与细胞接触造成严重物理损伤,形成的生物膜厚度显著减小且结构稳定性遭到破坏,膜内细菌通过分泌胞外聚合物来抵御PS-MPs的胁迫作用.PS-MPs进一步通过干扰铜绿假单胞菌群体感应系统,下调关键基因lasI、lasR、rhlI和rhlR的表达水平,抑制信号分子和相关毒力因子的合成与分泌,降低细菌对毒性作用的防御功能,最终影响生物膜形成和结构稳定性.     

Determination of Toxic Pollutants in Water Using A Marine Phytoplankton Dunaliella Bioculata and Doppler Laser Velocimetry

This paper reports an experimental study of the response of the unicellular flagellated algae Dunaliella bioculata to toxic pollutants in water using the 'Doppler laser velocimetry' method. the response to toxic pollutants was encouraging and indicates that Dunaliella bioculata is a good biological model for the detection of toxic pollutants in water.     

Removal of arsenic in tailings by soil flushing and the remediation process monitoring

In order to investigate the optimum conditions for the application of soil flushing of arsenic, a batch test was carried out using EDTA at various concentration and pH levels. Based on the optimum condition derived from the batch test, a column test was conducted to examine the feasibility of the soil-flushing technology under field-equivalent conditions. In this column test, a low flushing solution flow rate showed a significantly higher As removal efficiency (71.6%) than a high flow rate (56.3%). TCLP (toxicity characteristic leaching procedure) and a seed germination test were carried out to monitor the toxicity both during and after the treatment. The finally treated tailings were shown to be significantly remediated, having a reduced toxicity by both the TCLP and seed germination tests.     

Comparative Toxicities of Polar and Non-Polar Organic Fractions From Sediments Affected By the Exxon Valdez Oil Spill in Prince William Sound, Alaska

Standardized tests were applied to aromatic and polar fractions of sediment extracts to determine whether polar constituents or oxidative degradation products contributed significantly to the toxicity of sediments oiled by the Exxon Valdez spill. Intertidal sediment and pore-water samples were collected in September 1990 from two heavily oiled sites and an unoiled site in Prince William Sound (PWS). Methylene chloride extracts from these samples were fractionated by liquid chromatography into aliphatic, aromatic and polar fractions, and the aromatic and polar fractions were tested for toxicity using the Microtox^R test, bivalve larval mortality and development (Mytilus); several measures of genotoxicity in Mytilus, including SOS Chromotest^R, anaphase aberrations and sister chromatid exchange; and survival, anaphase aberrations and teratogenicity in coho salmon (Onchorhynchus kisutch). Microtox^R and SOS Chromotest^R protocols were applied in a screening mode to all samples, whereas other tests were applied only to selected fractions from two sites. Samples from Bay of Isles (oiled) were consistently more toxic (usually only 2 to 5-fold) than the Mooselips Bay (unoiled) samples, which gave very low responses in all tests. for both sites, however, responses to polar and aromatic fractions were about the same in most tests, suggesting that while the overall toxicity of the oil was low in these samples, at least part of that toxicity was derived from polar constituents. Compared to the parent hydrocarbons, polar oxidation products partition preferentially into pore-water and are more rapidly diluted and dispersed in the water column. These results suggest that polar oxidation products of petroleum hydrocarbons pose little risk to marine organisms, except possibly for infauna continuously exposed to pore-water in heavily oiled sediments. Independent surveys showed that sediment toxicity in PWS declined during 1989-1991 to near background levels, in accord with previous understanding of oil weathering and toxicity.     

铝毒在不同作物上的差异及温度的影响

采用水培法研究了作物耐铝性差异及温度对作物铝毒的效应，结果表明，铝首先伤害根生长，抑制作物对养分的吸收和利用，其中对大麦和蕃茄的危害尤为明显，并导致出现缺素症。耐铝能力为水稻＞大豆＞大麦＞蕃茄，而它们的耐铝机理不完全相同。铝对作物的毒害因温度而异，作物在其最适生长温度范围内受铝伤害最明显。作物体内的铝含量有随铝处理浓度增高而增加的趋势，并明显受温度的影响。     

ENVIRONMENTAL IMPACT ASSESSMENT OF TAILINGS DISPERSAL FROM A URANIUM MINE USING TOXICITY TESTING PROTOCOLS1

ABSTRACT: Toxicity testing is a means of establishing the environmental risk of a uranium tailings release. It is valuable in designing tailings containment structures because it assists in setting acceptable levels of risk for the design. This paper presents details of toxicity tests of the tailings from Ranger Uranium Mine, Northern Territory, Australia. The results suggest that the non-radiological toxicity of the tailings is low. The environmental risk of a tailings release is more likely to be related to the physical impacts of the tailings, including infilling of billabongs and changes in the sedimentology of riparian ecosystems rather than their biogeochemical impact. Two major results were: (1) water from treatment with washed tailing fines were not toxic to Hydra viridissima, and (2) mixtures of washed tailings fines and natural floodplain sediment (overlying water or elutriates) were not toxic to Hydra viridissima or Moinodaphnia macleayi.