Transfer functions for solid-solution partitioning of cadmium for Australian soils

To assess transport and ecotoxicological risks of metals, such as cadmium (Cd) in soils, models are needed for partitioning and speciation. We derived regression-based “partition-relations” based on adsorption and desorption experiments for main Australian soil types. First, batch adsorption experiments were carried out over a realistic range of dissolved Cd concentrations in agricultural soils in Australia. Results showed linear sorption relationships, implying the adequacy of using Kd values to describe partitioning. Desorption measurements were then carried out to assess in-situ Kd values and relate these to soil properties The best transfer functions for solid-solution partitioning were found for Kd values relating total dissolved Cd concentration to total soil Cd concentrations, accounting for the variation in pH, SOM contents and DOC concentrations. Model predictions compared well with measurements of an independent data set, but there was a tendency to underestimate dissolved Cd concentrations of highly polluted soils.     

Comparison of two methods for estimation of soil sorption for imidacloprid and carbofuran

Predicting the fate and transport of pesticides in soil environment is an important issue especially in understanding and modelling of the environmental behaviour of pesticides. Classical batch sorption method often has been identified as insufficient to derive the actual extent of sorption. In this study, the batch equilibrium method was compared to the centrifugation method, which can permit measurement of sorption under more natural conditions. The results of the comparison of the batch with the centrifugation method for imidacloprid and carbofuran pesticides indicate that the batch method overestimates sorption in comparison to the centrifugation method. These results are in agreement with others, which use high soil:solution ratios with batch and those that used the centrifugation method.     

Application of a minicolumn detection method for screening spices for aflatoxin

The minicolumn of Holaday and Lansden was modified by increasing the height of neutral alumina and including a layer of anhydrous sodium sulphate. Using this procedure, aflatoxin was detected in 18 of 125 samples of black pepper, red pepper, ginger and turmeric. A few samples of each spice contained aflatoxin, although red pepper and turmeric showed the highest incidence. Aflatoxin B1 quantities ranged from 10 ug/kg to 120 ug/kg when estimated quantitatively by visual comparison with standards on thin-layer chromatography plates.     

Use of hydra for chronic toxicity assessment of waters intended for human consumption

Methods developed with the cnidarian, Hydra attenuata (Pallas), have proven effective for screening acute toxicity in aqueous samples, whereas their use in revealing (sub)chronic toxic effects have had mitigated success. We therefore sought to explore manifestations of hydra mortality and abnormal morphological changes, as well as the reproductive capacity of hydras to further enhance the bioassay sensitivity and to assess (sub)chronic toxicity. These parameters were recorded following the onset of experiments after 8, 12 and 19-21 days of hydra exposure. Results obtained with potable waters (30 brands of bottled waters and artesian waters from 9 wells) showed chronic sublethal and lethal effects or reproduction rate inhibition for most samples. The effectiveness of the hydra toxicity test was demonstrated in comparison with other widely used bioassays. Our previous and present investigations suggest that hydra is a reliable and relevant test organism for the assessment of acute and chronic water toxicity.     

Application of the criteria for classification of existing chemicals as dangerous for the environment

The criteria for classification and labelling of substances as “dangerous for the environment” agreed upon within the European Union (EU) were applied to two sets of existing chemicals. One set (sample A) consisted of 41 randomly selected compounds listed in the European Inventory of Existing Chemical Substances (EINECS). The other set (sample B) comprised 115 substances listed in Annex I of Directive 67/548/EEC which were classified by the EU Working Group on Classification and Labelling of Existing Chemicals. The aquatic toxicity (fish mortality,Daphnia immobilisation, algal growth inhibition), ready biodegradability and n-octanol/water partition coefficient were measured for sample A by one and the same laboratory. For sample B, the available ecotoxicological data originated from many different sources and therefore was rather heterogeneous. In both samples, algal toxicity was the most sensitive effect parameter for most substances. Furthermore, it was found that, classification based on a single aquatic test result differs in many cases from classification based on a complete data set, although a correlation exists between the biological end-points of the aquatic toxicity test systems.     

Development of a database for chemical mechanism assignments for volatile organic emissions

The development of a database for making model species assignments when preparing total organic gas (TOG) emissions input for atmospheric models is described. This database currently has assignments of model species for 12 different gas-phase chemical mechanisms for over 1700 chemical compounds and covers over 3000 chemical categories used in five different anthropogenic TOG profile databases or output by two different biogenic emissions models. This involved developing a unified chemical classification system, assigning compounds to mixtures, assigning model species for the mechanisms to the compounds, and making assignments for unknown, unassigned, and nonvolatile mass. The comprehensiveness of the assignments, the contributions of various types of speciation categories to current profile and total emissions data, inconsistencies with existing undocumented model species assignments, and remaining speciation issues and areas of needed work are also discussed. The use of the system to prepare input for SMOKE, the Speciation Tool, and for biogenic models is described in the supplementary materials. The database, associated programs and files, and a users manual are available online at http://www.cert.ucr.edu/~carter/emitdb.

Implications: Assigning air quality model species to the hundreds of emitted chemicals is a necessary link between emissions data and modeling effects of emissions on air quality. This is not easy and makes it difficult to implement new and more chemically detailed mechanisms in models. If done incorrectly, it is similar to errors in emissions speciation or the chemical mechanism used. Nevertheless, making such assignments is often an afterthought in chemical mechanism development and emissions processing, and existing assignments are usually undocumented and have errors and inconsistencies. This work is designed to address some of these problems.     

TiO2光催化技术处理饮用水微污染及杀灭微生物的研究

光催化处理饮用水微量污染物以及在饮用水消毒和杀菌方面的研究是近年来研究的热点.本文论述了 TiO2光催化处理饮用水中的微量卤代物、腐殖质、微生物代谢产物,以及杀灭细菌、真菌和病毒等微生物的研究进展.探讨了光催化杀灭微生物的作用机制,最后对该研究领域的发展方向提出建议和展望.     

QSAR modeling for predicting mutagenic toxicity of diverse chemicals for regulatory purposes

The safety assessment process of chemicals requires information on their mutagenic potential. The experimental determination of mutagenicity of a large number of chemicals is tedious and time and cost intensive, thus compelling for alternative methods. We have established local and global QSAR models for discriminating low and high mutagenic compounds and predicting their mutagenic activity in a quantitative manner in Salmonella typhimurium (TA) bacterial strains (TA98 and TA100). The decision treeboost (DTB)-based classification QSAR models discriminated among two categories with accuracies of >96% and the regression QSAR models precisely predicted the mutagenic activity of diverse chemicals yielding high correlations (R ²) between the experimental and model-predicted values in the respective training (>0.96) and test (>0.94) sets. The test set root mean squared error (RMSE) and mean absolute error (MAE) values emphasized the usefulness of the developed models for predicting new compounds. Relevant structural features of diverse chemicals that were responsible and influence the mutagenic activity were identified. The applicability domains of the developed models were defined. The developed models can be used as tools for screening new chemicals for their mutagenicity assessment for regulatory purpose.

     

土壤有机物污染控制标准制订的方法学研究

指出了中国现行土壤环境质量标准存在的问题.对日本和美国等发达国家的有机物污染土壤质量控制标准进行了分析.从土壤环境质量基准制订的方法学和污染控制标准的确定原则上,提出了制订中国土壤有机物污染控制标准的建议.     

阴极电生H_2O_2及电-Fenton法降解甲基橙

对石墨-PTFE阴极的主要制作参数和在无隔膜系统中电生H2O2的主要工艺参数进行了研究。结果发现,石墨与PTFE的质量比为4∶1~3∶1之间的石墨-PTFE阴极经350℃1 h煅烧后性能最好。采用磁力搅拌代替通常的氧气扩散和空气鼓泡等供氧方法,可简化系统的供氧设备,降低废水的处理成本,更易于放大和实施,且可充分利用阳极电生的氧气。石墨-PTFE阴极有较好的稳定性,重复使用10次之后,电生H2O2的活性没有下降。在由石墨-PTFE阴极和铁阳极组成的电-Fenton系统中对甲基橙溶液进行了降解,脱色效果显著。     

An alternative for the nitrobenzylpyridine test for the description of the toxicity of alkylating agents

When correlating the biologic activity of alkylating agents with physicochemical parameters, the reaction rate constant of the reaction with 4-(p-nitrobenzyl) pyridine (NBP) is often used as a measure of the compounds chemical reactivity. Since the use of NBP suffers some drawbacks from an experimental point of view, it was decided to develop an alternative test method, using thiourea as a standard nucleophile.Reactivities obtained with both methods for six halogenated alkylating agents are compared, and the usefulness of the new experimental method is discussed.     

Chapter two: methodologies for characterisation of combustion sources and for quantification of their emissions

Emissions from the combustion of biomass and fossil fuels result in generation of a large number of particle and gaseous products in outdoor and/or indoor air, which create health and environmental risks. Of particular importance are the very small particles that are emitted in large quantities from all the combustion sources, and that could be potentially more significant in terms of their impact on health and the environment than larger particles. It is important to quantify particle emissions from combustion sources for regulatory and control purposes in relation to air quality. This paper is a review of particle characteristics that are used as source signatures, their general advantages and limitations, as well as a review of source signatures of the most common combustion pollution sources including road transport, industrial facilities, small household combustion devices, environmental tobacco smoke, and vegetation burning. The current methods for measuring particle physical characteristics (mass and number concentrations) and principles of methodologies for measuring emission factors are discussed in the paper as well. Finally, the paper presents the recommendations for the future techniques for measurements of combustion products.     

Improvement of Vicia-micronucleus test for assessment of soil quality: a proposal for international standardization

The Viciafaba root tip micronucleus test is one of the most employed plant genotoxicity assays, and has been used on various types of contaminated materials. This test has been standardized by AFNOR, the French member organization of ISO. However, this test is usually performed with a water extraction step but soil genotoxicity assessment would be more relevant when performed directly in the soil itself. In order to harmonize these protocols, an ISO standard for the V.faba micronucleus test in both liquid phase (exposure of plants to different liquid matrix, including soil water extracts) and solid phase (direct exposure of plants to the soil) would be very useful. In this context, we compared two exposure durations in the solid phase (48 h and 5 d) for the V.faba micronucleus test with two different well-known genotoxicants, maleic hydrazide and copper sulfate. We concluded that these two durations induced equivalent sensitivity: the micronucleus frequency was significantly increased with 5 μmol maleic hydrazide per kg dry soil and with 2 mmol copper sulfate per kg dry soil with both exposure durations. However, exposing roots to soil during 48 h is more practical. Moreover, organically and conventionally cultured seeds were employed to determine whether the seed provenance influenced the test sensitivity. Organic seeds were less sensitive to copper, possibly because copper-based treatments are permitted, and often applied, in organic farms. Therefore, in the absence of completely non-treated seeds, organically-cultured seeds did not appear to offer any advantages over conventional seeds.     

微絮凝-微滤用于印染废水回用反渗透预处理的试验研究

采用微絮凝过滤-微滤作为反渗透的预处理工艺,用于印染废水二级生化出水回用深度处理.试验考察了预处理效果、工艺参数和反渗透系统运行情况,分析了膜污染的类型及特点.试验结果表明,微絮凝过滤-微滤作为反渗透的预处理工艺,系统运行稳定,相对于超滤-反渗透的"双膜法"工艺,投资和运行费用相对较低,有推广应用价值.     

Quantification of joint effect for hydrogen bond and development of QSARs for predicting mixture toxicity

A QSAR model is successfully proposed to predict the toxicity effect on Photobacterium phosphoreum by nonpolar-narcotic-chemical mixtures and/or polar-narcotic-chemical mixtures. For nonpolar-narcotic-chemical mixtures and polar-narcotic-chemical mixtures, their corresponding hydrophobicity-based QSAR models are derived from regression analysis. Comparison of these two QSAR models make us believe that it is the joint effect of hydrogen bond in polar-narcotic-chemical mixture that leads to the difference between these two models. Such joint effect of hydrogen bond can be quantified as AMH and BMH by using the different partition coefficients of mixtures in various organic phase/water systems. And the regression analysis results convinced us that the introduction of AMH does improve the quality of the QSAR model with r2=0.948, S.E.=0.166 and F=745.201 at P=0.000 for total 84 mixtures.     

Reevaluation of ENCORE: support for the eutrophication threshold model for coral reefs

The results from the multimillion dollar Enrichment of Nutrients on Coral Reefs Experiment (ENCORE) on One Tree Island Reef (OTIR) suggest that increased nutrient loads to coral reefs will have little or no effect on the algal growth rates and, hence, on the associated effects that increased algal growth might have on the functioning and stability of coral reefs. However, a comparison of the concentrations of nutrients within the OTIR lagoon with the proposed nutrient threshold concentrations (NTC) for coral reefs suggests that all sites, including the control sites, were saturated with nutrients during ENCORE, and, hence, one would not expect to get any differences between treatments in the algal-growth related measurements. Thus, ENCORE results provide strong support for the proposed NTCs and support the ecological principle that algal productivity and, consequently, the functioning of coral reefs are sensitive to small changes in the background concentrations of nutrients. The principal conclusion of ENCORE, namely that the addition of nutrients did not cause the "pristine" OTIR to convert from coral communities to algal dominated reefs, is contrary to the fact that there was prolific macroalgal growth on the walls and crests of the experimental microatolls by the end of ENCORE.     

微囊藻毒素污染控制技术的研究进展

主要对水环境中微囊藻毒素污染的产生、毒性和去除方法进行了综述，在如何高效去除MCS方面具有重要意义。     

A model for prediction of product distributions for the reactions of phenol derivatives with hydroxyl radicals

In this study, with the intention of estimating the photocatalytic or photodegradation rates and finding certain predictors to be used for the determination of the most probable reaction path and the primary intermediate, the reactions of (*)OH radicals with 11 phenol derivatives including benzene were modeled. For 43 possible reaction routes, calculations of the geometric parameters, the electronic and thermodynamic properties of the reactants, the product radicals and the transition state complexes were performed with the semiempirical PM3 and DFT/B3LYP/6-31G(*) methods. The solvation effects were computed using COSMO as the solvation model. Based on the results of quantum mechanical calculations, the rate constants, the branching ratios and the product distributions of all the possible reaction paths were calculated by means of the transition state theory. Three predictors were determined for the prediction of the most probable transition state and the reaction path. The differences in the reaction rates were explained in terms of the presence of hydrogen bonds in the transition state complexes and the entropy effects. Finally the results obtained were compared with the available experimental data in order to assess the reliability of the proposed model.     

微囊藻毒素污染控制技术的研究进展

主要对水环境中微囊藻毒素污染的产生、毒性和去除方法进行了综述,在如何高效去除MCs方面具有重要意义.