农药环境风险评估中常用的计算毒理学模型软件

农药的大量使用为我国带来了严重的环境和健康问题,仅依靠传统生物测试和环境监测的方法已经不能满足农药风险评估的需要。利用计算毒理学模型,可以实现农药的高通量风险评估。本文主要介绍了农药环境风险评估中常用免费的EPI Suite、QSAR Toolbox和PBT Profiler等定量结构-活性关系(Quantitative Structure-Activity Relationship,QSAR)模型软件和SCIGROW、PRZM-GW、China-PEARL和EQC等环境多介质模型软件,以期能为农药的风险评估和科学管理提供参考。     

蔬菜常用农药在地下水中残留风险评估

为明确蔬菜常用农药在地下水中的环境风险,运用China-Pearl和SCI-GROW模型开展地下水环境暴露评估,并根据我国成人和儿童暴露参数推导25种农药预测无效应浓度(PNEC)。研究发现,25种农药PECgw为0~18.340μg·L-1,成年人PNECgw为0.003~19.654 mg·L-1,儿童PNECgw为0.001~23.253 mg·L-1。成年人和儿童的RQgw值均小于1,表明25种农药按照登记用量使用,我国成人和各年龄阶段儿童直接饮用施用农药区域地下水的环境风险可接受。     

The use of ultrasound-assisted anaerobic compost tea washing to remove poly-chlorinated dibenzo-p-dioxins (PCDDs), dibenzo-furans (PCDFs) from highly contaminated field soils

The remediation of dioxin-contaminated soil of a specific coastal area previously employed for the manufacture of pentachlorophenol (PCP) in southern Taiwan’s Tainan City has attracted much attention of researchers there. This work addresses the possibility of providing an effective and environmentally friendly option for removing PCDD/Fs from soil in that field. Soil screening/sieving was first conducted to assess particle distribution. Fine sand was observed to be the major component of the soil, accounting for more than 60% of the total mass. A combination of ultrasonification and mechanical double-blade agitation was used to facilitate the washing of the soil using the biosurfactant anaerobic compost tea. More than 85 and 95% of total removal efficiencies were achieved for moderately and highly contaminated soils after 6 and 10 washing cycles, respectively, under ambient temperature, a soil/liquid ratio 1:2.5, 700 rpm, and over a relatively short duration. These results were achieved through the collision and penetration effects of this combined treatment as well as PCDD/F partitioning between the particles and anaerobic compost tea. This study represents the first to report the use of anaerobic compost tea solvent to wash soil highly contaminated by dioxin. It was concluded that anaerobic compost tea, rich in non-toxic bio-surfactants (e.g., alcohols, humic acids), can be used to improve bioavailability and bioactivity of the soil making bio-attenuation and full remediation more efficient.     

The effects and the toxicity increases caused by bicarbonate,chloride, and other water components during the UV/TiO<Subscript>2</Subscript> degradation of oxazaphosphorine drugs

The influences of HCO₃ ^?, Cl^?, and other components on the UV/TiO₂ degradation of the antineoplastic agents ifosfamide (IFO) and cyclophosphamide (CP) were studied in this work. The results indicated that the presence of HCO₃ ^?, Cl^?, NO₃ ^?, and SO₄ ^2? in water bodies resulted in lower degradation efficiencies. The half-lives of IFO and CP were 1.2 and 1.1 min and increased 2.3–7.3 and 3.2–6.3 times, respectively, in the presence of the four anions (initial compound concentration = 100 μg/L, TiO₂ loading =100 mg/L, anion concentration = 1000 mg/L, and pH = 8). Although the presence of HCO₃ ^? in the UV/TiO₂/HCO₃ ^? system resulted in a lower degradation rate and less byproduct formation for IFO and CP, two newly identified byproducts, P11 (M.W. = 197) and P12 (M.W. = 101), were formed and detected, suggesting that additional pathways occurred during the reaction of ?CO₃ ^? in the system. The results also showed that ?CO₃ ^? likely induces a preferred ketonization pathway. Besides the inorganic anions HCO₃ ^?, Cl^?, NO₃ ^?, and SO₄ ^2?, the existence of dissolved organic matter in the water has a significant effect and inhibits CP degradation. Toxicity tests showed that higher toxicity occurred in the presence of HCO₃ ^? or Cl^? during UV/TiO₂ treatment and within 6 h of reaction time, implying that the effects of these two anions should not be ignored when photocatalytic treatment is applied to treat real wastewater.     

Effects of fine particulate matter and its constituents on emergency room visits for asthma in southern Taiwan during 2008–2010: a population-based study

Environmental Science and Pollution Research - This population-based study evaluated the short-term association between fine particulate matter (PM2.5) concentrations and its constituents and...     

Field crops (Ipomoea aquatica Forsk. and Brassica chinensis L.) for phytoremediation of cadmium and nitrate co-contaminated soils via rotation with Sedum alfredii Hance

Environmental Science and Pollution Research - Phytoremediation coupled with crop rotation (PCC) is a feasible strategy for remediation of contaminated soil without interrupting crop production....     

Acute and chronic toxicity of organophosphate monocrotophos to Daphnia magna

The acute and chronic toxicity of monocrotophos (MCP), the binary joint toxicity of MCP and bifenthrin (BF), and sodium dodecyl benzene sulfonate (SDBS) to Daphnia magna (D. magna) was evaluated. The 24 h-median effective concentration (24 h-EC₅₀) and 48 h-median lethal concentration (48 h-LC₅₀) of MCP towards D. magna were 161 and 388 μ g/L, respectively. In addition, the lowest-observed effective concentration (LOEC) and non-observed effective concentration (NOEC) of MCP to D. magna were 10 and 5 μ g/L, respectively. Furthermore, the chronic value (ChV) of MCP against D. magna was 7 μ g/L and the acute chronic ratio (ACR) was 55. The number of offspring per female and the intrinsic rate of natural increase (r) were identified as the parameters that were most sensitive to MCP. In addition, toxic unit (TU) analysis was employed to evaluate the joint toxicities. The calculated TU_mix values of binary equitoxic mixtures of MCP + BF and MCP + SDBS were 1.47 and 1.63, respectively, which suggests that both equitoxic mixtures exert a limited antagonistic effect. The results of this study revealed that the toxic threshold of MCP towards D. magna is higher than its reported highest residue (4 μ g/L) in the ordinary aquatic environment, and that concurrent exposure to BF or SDBS may exert a slight antagonistic effect.     

Interaction between BSM-contaminated soils and Italian ryegrass

The interaction among the bensulfuron-methyl, growth of Italian ryegrass, and soil chemical/biochemical/microbiological parameters was investigated in a microcosm experiment. The bensulfuron-methyl added to the soil can be rapidly degraded by certain fungi and actinomycetes present in the original paddy rice soil. The growth of Italian ryegrass significantly accelerated the in-soil degradation of bensulfuron-methyl in its rhizosphere. The uptake of bensulfuron-methyl by ryegrass increased with increasing dosage level of bensulfuron-methyl. However, the phytoextraction of bensulfuron-methyl by ryegrass contributed insignificantly to the total removal of the soil bensulfuron-methyl. Within the dosage range set in this study, the root development of ryegrass was not adversely affected by the presence of the soil bensulfuron-methyl although the fresh biomass of shoot was slightly reduced in the higher dosage treatments. This can be attributed to the adsorption of the added bensulfuron-methyl by soil colloids and consequently the reduction of bensulfuron-methyl level in the soil pore water to a concentration sufficiently lower than the toxic level. The growth of ryegrass significantly increased soil pH and the activities of phosphatase and peroxidase but reduced the EC and the activities of urease in the rhizospheric soil.     

Effects of different treatments on soil-borne DDT and HCH dynamics and plant uptake

Pot experiments were conducted to examine the effects of various fertilizers, as well as soil dilution treatments on the dynamics of soil-borne DDTs [sum of dichlorodiphenyltrichloroethane (DDT), chlorodiphenyldichloroethylene (DDE) and di- chlorodiphenyldichloroethane (DDD)] and hexachlorocyclohexanes (HCHs, sum of α-HCH, β-HCH, γ-HCH and δ-HCH) and their subsequent impacts on the uptake of DDTs and HCHs by a test plant. The results show that the soil residual DDTs and HCHs concentrations in the iron-rich fertilizer-treated soil were significantly lower than those in other fertilizer-treated soils. There was a close relationship between the soil residual DDTs and the plant tissue DDTs. This suggests that the uptake rate of DDTs by the plant was dependent on the concentration of soil-borne DDTs. A less close relationship between soil residual HCHs and plant tissue HCHs was also observed. Dilution of pesticide-contaminated soil with the non-contaminated soil not only physically reduced the concentration of pesticides in the soil but also enhanced the loss of soil-borne pesticides, possibly through the improvement of soil conditions for microbial degradation. Soil dilution had a better effect on promoting the loss of soil-borne HCHs, relative to soil-borne-DDTs. The research findings obtained from this study have implications for management of heavily contaminated soils with DDTs and HCHs. Remediation of DDTs and HCHs-contaminated soils in a cost-effective way can be achieved by incorporating treatment techniques into conventional agricultural practices. Applications of iron-rich fertilizer and soil dilution treatments could cost-effectively reduce soil-borne DDTs and HCHs, and subsequently the uptake of these organochlorine pesticides by vegetables.     

Microwave-induced nanoscale zero-valent iron degradation of perchloroethylene and pentachlorophenol

Microwave (MW) is applied to enhance perchloroethylene (PCE) or pentachlorophenol (PCP) removal using zero-valent iron (ZVI; Fe⁰) as the dielectric medium. ZVI has a much higher dielectric loss factor (39.5) than other media; it is capable of absorbing MW radiation rapidly to speed up the release of electrons, leading to rises of the ZVI particle surface temperature. If the MW power is continued, excessive electricity will accumulated inside ZVI particles, resulting in sparks. The results show that during the initial 5 sec (700 W), the linear aliphatic PCE has a faster decomposing rate than the ringed PCP (82.0% vs. 4.8%) because less energy is required for decomposing the linear-chlorine bond (90 kcal mol^?1) than ring-chlorine bonds (95 kcal mol^?1). Later, the removal rate for either PCE or PCP remains the same when the exposure time is between 5 and 60 sec. Without MW irradiation, linear PCE molecules have larger surface area to contact ZVI, and hence they have better removal efficiencies than PCP molecules. Using Fe⁰ as a microwave dielectric medium to treat PCE or PCP is a new and worthwhile treatment technology; it is environmentally friendly, and its use will eliminate the secondary pollution.

Implications Nanoscale iron particles are characterized by high surface-area-to-volume ratios, high specific surface area, and high surface reactivity. With a much higher dielectric loss factor, it is capable of absorbing MW radiation rapidly to speed up the release of electrons, leading to rise in temperature. The time needed to achieve a satisfactory treatment is also reduced, leading to significant saving of energy consumption to make this method cost-effective and also environmentally friendly for the industry to pursuit sustainable development.