水中脲类除草剂Chlortoluron氯化产物鉴定、降解途径探究

对不同pH下Chlortoluron氯化后生成的非挥发性中间产物和挥发性产物进行了研究。对Chlortoluron氯化后的非挥发性中间产物的UPLC-ESI-MS鉴定发现了m/z为213、229、263、281、和247的离子,分析表明它们分别是Chlortoluron及其一羟基、一氯羟基、二氯和一氯衍生物。对Chlortoluron氯化后的挥发性产物采用吹扫补集-GC-MS进行分析鉴定发现了三氯甲烷(CF)、二氯硝基甲烷(DCNM)、二氯乙腈(DCAN)、1,1-2-二氯丙酮(1,1-DCP)、三氯硝基甲烷(TCNM)和1,1,1-2-三氯丙酮(1,1,1-TCP)六种消毒副产物。根据本研究中的实验结果分析和推测,在Chlortoluron的氯化过程中,苯环上和脲基链上都经历了羟基化、氧化和取代反应,接着苯环被打破,随后生成了更为有害的副产物,基于此,本文推断了Chlortoluron的氯化降解途径。     

Employing the shared socioeconomic pathways to predict CO2 emissions

Predicting CO₂ emissions is of significant interest to policymakers and scholars alike. The following article contributes to earlier work by using the recently released “shared socioeconomic pathways” (SSPs) to empirically model CO₂ emissions in the future. To this end, I employ in-sample and out-of-sample techniques to assess the prediction accuracy of the underlying model, before forecasting countries’ emission rates until 2100. This article makes three central contributions to the literature. First, as one of the first studies, I improve upon the Representative Concentration Pathways (RCPs) by incorporating the SSPs, which did not exist when the RCPs have been released. Second, I calculate predictions and forecasts for a global sample in 1960–2100, which circumvents issues of limited time periods and sample selection bias in previous research. Third, I thoroughly assess the prediction accuracy of the model, which contributes to providing a guideline for prediction exercises in general using in-sample and out-of-sample approaches. This research presents findings that crucially inform scholars and policymakers, especially in light of the prominent 2 °C goal: none of the five SSP scenarios is likely to be linked to emission patterns that would suggest achieving the 2 °C goal is realistic.     

超声降解水中污染物技术浅述

介绍了超声降解水中污染物的机理、影响因素和几种典型的超声联用技术。并指出超声技术在今后水处理应用领域的研究方向。     

噻吩磺隆降解菌Staphylococcus sp.的分离及其降解特性与途径

采用富集培养技术从磺酰脲类除草剂污染土壤中筛选得到1株降解噻吩磺隆的细菌,命名为ZWS13.经形态特征和16S rRNA基因序列分析,初步鉴定为葡萄球菌属(Staphylococcus sp.).采用HPLC研究了初始底物浓度、温度、接种量、pH等因素对菌株ZWS13降解噻吩磺隆的影响.结果表明,菌株ZWS13对噻吩磺隆的降解具有较广的底物浓度范围,在7 d内对初始浓度5.0~100.0 mg·L~(-1)噻吩磺隆的降解率达到60%以上;菌株ZWS13降解噻吩磺隆的较适pH为8.0,较适温度为40℃,较适接种量为1%;其中,菌株培养温度为40℃时,菌株在10 d内对50.0mg·L~(-1)噻吩磺隆的降解率达到99%以上.降解谱测定结果表明,菌株对烟嘧磺隆、吡嘧磺隆和甲磺隆亦具有良好的降解效果.采用HPLC-MS分析确定了菌株对噻吩磺隆的5个降解产物,推测菌株对噻吩磺隆的降解途径主要为磺酰脲桥C—N键的断裂、脱甲基作用或脱酯作用的甲基丢失及三嗪环的开裂.研究表明,菌株ZWS13能够有效地降解噻吩磺隆,具有生物修复噻吩磺隆污染的潜力.     

农药在环境中消解模式的研究

根据近年农药环境毒理的研究结果,叙述了农药在环境因素中消解的数学表达式。当前后期农药消解速度不同时,可用C=A·l~(-αt)+B·l~(-βt);当具有吸收和消解双过程时,用C=A·(l~(-αt)-l~(-βt));而最广泛应用的表达式,则是C=C_0·l~(-κt)。     

Theoretical insights into the degradation mechanisms, kinetics and eco-toxicity of oxcarbazepine initiated by OH radicals in aqueous environments

As an anticonvulsant, oxcarbazepine (OXC) has attracted considerable attention for its potential threat to aquatic organisms. Density functional theory has been used to study the mechanisms and kinetics of OXC degradation initiated by OH radicals in aqueous environment. A total of fourteen OH-addition pathways were investigated, and the addition to the C8 position of the right benzene ring was the most vulnerable pathway, resulting in the intermediate IM8. The H-abstraction reactions initiated by OH radicals were also explored, where the extraction site of the methylene group (C14) on the seven-member carbon heterocyclic ring was found to be the optimal path. The calculations show that the total rate constant of OXC with OH radicals is 9.47 × 10⁹ (mol/L)⁻¹sec⁻¹, and the half-life time is 7.32 s at 298 K with the [·OH] of 10⁻¹¹ mol/L. Moreover, the branch ratio values revealed that OH-addition (89.58%) shows more advantageous than H-abstraction (10.42%). To further understand the potential eco-toxicity of OXC and its transformation products to aquatic organisms, acute toxicity and chronic toxicity were evaluated using ECOSAR software. The toxicity assessment revealed that most degradation products such as OXC-2OH, OXC-4OH, OXC-1O-1OOH, and OXC-1OH' are innoxious to fish and daphnia. Conversely, green algae are more sensitive to these compounds. This study can provide an extensive investigation into the degradation of OXC by OH radicals and enrich the understanding of the aquatic oxidation processes of pharmaceuticals and personal care products (PPCPs).     

苯胺分解菌的驯化筛选研究

采用某药厂下水道污泥富集的菌种,通过驯化筛选得到对苯胺分解能力强的专性菌种Ochrobactrumanthropi。通过正交实验得出Ochrobactrumanthropi的最适生长条件:pH为6~7,温度为35~40℃,NaCl浓度为0.6%。在适合的条件下,Ochrobactrumanthropi对苯胺有较好的降解能力。      

Photodegradation of Hexafluoropropylene Oxide Trimer Acid under UV Irradiation

As a novel alternative to traditional perfluoroalkyl substances(PFASs), including perfluorooctanoic acid(PFOA) and perfluorooctane sulfonate(PFOS), hexafluoroproplyene oxide trimer acid(HFPO-TA) has been detected worldwide in surface water. Moreover, recent researches have demonstrated that HFPO-TA has stronger bioaccumulation potential and higher hepatotoxicity than PFOA. To treat these contaminants e.g. PFOA and PFOS, some photochemical techniques by adding exogenous substances had been report...     

Analysis and decomposition of condensed tannins in tree leaves

The decomposition of leaf litter is controlled by several factors. One factor that may play an important role is the content of condensed tannins (proanthocyanidins). Here we designed a combined method to isolate proanthocyanidins from leaf extracts, to convert them to anthocyanidins, and to quantify individual anthocyanidins exactly with a new, simple, but sensitive high-performance liquid chromatography method. We used this method to show composition of proanthocyanidins and to monitor degradation of proanthocyanidins and individual constituents in leaf litter in an aquatic environment over time. Despite the rapid decrease in the initial concentrations, a fraction of the proanthocyanidins remained detectable for several weeks.     

Extractable atrazine and its metabolites in agricultural soils from the temperate humid zone

Extractable atrazine and its metabolites (hydroxyatrazine, deethylatrazine and deisopropylatrazine) were evaluated in agricultural soils from the temperate humid zone (Galicia, NW Spain) under laboratory conditions. The experiment was performed with five soils with different properties (organic C, soil texture and atrazine application history), both unamended and treated with atrazine at field application rate. Measurements of the atrazine compounds were made at different time intervals (1, 3, 6, 9 and 12 weeks) during a 3-month incubation period. Results showed that only hydroxyatrazine was detected in the extractable fraction of the unamended soils, with values remaining relatively constant throughout the incubation period. Atrazine addition notably increased the concentration of the parent compound and its degradation products; deisopropylatrazine and hydroxyatrazine were the main metabolites detected in the extractable fraction of the treated soils, whereas deethylatrazine was not detected. After 7 days incubation, values of total extractable residues, expressed as percentage of initially added atrazine, ranged from 75 to 86% (25–68% of atrazine, 7–11% of hydroxyatrazine and 9–57% of deisopropylatrazine). The values decreased rapidly during the first 3 weeks of incubation, showing values of 2–8% in soils with higher atrazine application and from 28 to 30% in soils with lower application history. At the end of the incubation, 2–8% of total extractable residues were still detected (0–4% of atrazine, 2–3% of hydroxyatrazine and 0–2% of deisopropylatrazine), indicating a residual effect of atrazine addition. These variations in the extractable fraction indicated that most added atrazine was rapidly degraded, especially in soils with higher application history.