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).     

Fe(VI)/CaO2双氧化体系降解水环境中的DMP

研究了高铁酸盐（Fe（VI））/过氧化钙（CaO₂）联合处理对邻苯二甲酸二甲酯（DMP）的降解性能及机理,分析了共存离子的影响.基于响应面方法中的Box-Behnken实验设计进行了多因素实验,采用二次多项式和逐步回归法拟合了DMP去除率与Fe（VI）投加量、CaO₂投加量和反应时间之间的关系,对实验条件进行了优化分析.结果表明,在初始pH值为中性条件下,Fe（VI）/CaO₂可以有效去除DMP,降解过程符合准一级动力学模型.当Fe（VI）/CaO₂/DMP物质的量比为1.1/4.4/1时,模型预测DMP最大降解率为95.57%,和验证实验得出的降解率90.14%相近,表明该响应面模型具有较好的模拟和预测能力.HCO₃^-和Mg²⁺对DMP的降解有一定抑制作用.自由基清除实验结果显示,羟基自由基（HO·）和超氧自由基（O₂^-·）对DMP的降解具有重要贡献,表明Fe（VI）和CaO₂可形成类芬顿试剂协同降解污染物.DMP的主要降解途径包括酯基水解、侧链氧化和苯环的羟基化;主要降解产物为邻苯二甲酸单甲酯,2,5-二羟基苯甲酸,间苯二甲酸,草酸等.     

微塑料对环境中有机污染物吸附解吸的研究进展

微塑料已成为新的全球性环境污染问题。作为强吸附剂,微塑料可以吸附共存的有机污染物,进而改变其环境行为和毒性;也可以通过解吸作用促进污染物在不同介质中的迁移。因而,微塑料与有机污染物的相互作用强度和机理是全面评估两者的环境风险和深度研究微塑料毒性机制的必要信息。目前微塑料研究处于快速发展的起始阶段,加之微塑料本身成分、粒径、表面风化情况的复杂性及共存有机污染物的多样性使两者的相互作用十分复杂,亟需理清微塑料吸附解吸作用的影响因素和相关机制。因而,本文详细综述了微塑料对有机污染物吸附解吸作用的研究进展,并着重从微塑料性质(成分、粒径和表面风化)、有机污染物性质和水环境介质性质方面探讨了吸附的影响因素和相互作用机制,希望为微塑料吸附有机污染物及吸附的后续影响研究提供借鉴与参考。     

A framework for allocating conservation resources among multiple threats and actions

Land managers decide how to allocate resources among multiple threats that can be addressed through multiple possible actions. Additionally, these actions vary in feasibility, effectiveness, and cost. We sought to provide a way to optimize resource allocation to address multiple threats when multiple management options are available, including mutually exclusive options. Formulating the decision as a combinatorial optimization problem, our framework takes as inputs the expected impact and cost of each threat for each action (including do nothing) and for each overall budget identifies the optimal action to take for each threat. We compared the optimal solution to an easy to calculate greedy algorithm approximation and a variety of plausible ranking schemes. We applied the framework to management of multiple introduced plant species in Australian alpine areas. We developed a model of invasion to predict the expected impact in 50 years for each species-action combination that accounted for each species’ current invasion state (absent, localized, widespread); arrival probability; spread rate; impact, if present, of each species; and management effectiveness of each species-action combination. We found that the recommended action for a threat changed with budget; there was no single optimal management action for each species; and considering more than one candidate action can substantially increase the management plan's overall efficiency. The approximate solution (solution ranked by marginal cost-effectiveness) performed well when the budget matched the cost of the prioritized actions, indicating that this approach would be effective if the budget was set as part of the prioritization process. The ranking schemes varied in performance, and achieving a close to optimal solution was not guaranteed. Global sensitivity analysis revealed a threat's expected impact and, to a lesser extent, management effectiveness were the most influential parameters, emphasizing the need to focus research and monitoring efforts on their quantification.     

海南鹦哥岭的外来植物与生态环境影响评价

通过对鹦哥岭外来植物的调查,以及外来植物区系的种类组成、原产地、生长型、生境和危害程度等的分析,阐明鹦哥岭的外来植物现状及其对当地生态环境的影响。分析表明:共有53种外来植物,约占鹦哥岭种子植物总数的2.73%,主要来自新大陆热带地区(35种)。其中草本(36种)和灌木(13种)占优势,藤本(3种)和小乔木(2种)相对不明显。外来种对鹦哥岭自然生态系统的影响较小,对人为干扰严重的生态系统影响较大。最后对外来植物进行评估,并提出防控措施。     

农药在环境中的水解机理及其影响因子研究进展

农药的水降解与其在环境中的持久性是密切相关的,它是影响农药在环境中的归宿机制的重要依据之一,也是评价农药在水体中残留特性的重要指标。近些年来,国内外不少学者对农药尤其是有机磷、氨基甲酸酯、拟除虫菊酯和磺酰脲类等的水解进行了大量研究,其内容涉及到农药水化学降解机理及其各种因子如pH值、温度和黏土矿物等对农药水解的影响等,并取得了很多新的进展。但是所有这些研究主要集中于实验室内,而对其自然环境中各因子的贡献及其水解机制的了解则相对较少。今后应加强农药在自然条件下的水解动力学与机理以及黏土矿物和腐殖酸对农药在水体中的催化水解研究,以更好地评价农药在环境中的行为与归宿,为农药的合理使用提高科学依据。     

Fecundity as a Basis for Risk Assessment of Nonindigenous Freshwater Molluscs

Abstract:  The most efficient way to reduce future damages from nonindigenous species is to prevent the introduction of harmful species. Although ecologists have long sought to predict the identity of such species, recent methodological advances promise success where previous attempts failed. We applied recently developed risk assessment approaches to nonindigenous freshwater molluscs at two geographic scales: the Laurentian Great Lakes basin and the 48 contiguous states of the United States. We used data on natural history and biogeography to discriminate between established freshwater molluscs that are benign and those that constitute nuisances (i.e., cause environmental and/or economic damage). Two statistical techniques, logistic regression and categorical tree analysis, showed that nuisance status was positively associated with fecundity. Other aspects of natural history and biogeography did not significantly affect likelihood of becoming a nuisance. We then used the derived statistical models to predict the chance that 15 mollusc species not yet in natural ecosystems would cause damage if they become established. We also tested whether time since establishment is related to the likelihood that nonindigenous mollusc species in the Great Lakes and United States would cause negative impacts. No significant relationship was evident at the U.S. scale, but recently established molluscs within the Great Lakes were more likely to cause negative impacts. This may reflect changing environmental conditions, changing patterns of trade, or may be an indication of "invasional meltdown." Our quantitative analyses could be extended to other taxa and ecosystems and offer a number of improvements over the qualitative risk assessments currently used by U.S. (and other) government agencies.     

水源地藻类及藻毒素同时去除的效果及机制分析

利用组合载体对太湖梅梁湾水源地水体中藻类及藻毒素的同时去除试验表明:检测水源地水体中藻量、Chl-a、TMC的含量各为(31.67～78.27)×106个.L-1、32.58～102.67μg·L-1、1.79～11.97μg·L-1.在水力停留时间为7d、组合载体的密度为13.1%的条件下,组合载体AP对藻量的平均去除率达到了59.78%,对Chl-a的平均去除率达到了80.82%,对TMC-LR、TMC-RR、EMC-LR、EMC-RR的降解率最高能达到99.73%、97.10%、100%、75.44%.对其去除机制的研究表明,组合载体AP对总细菌的富集能力达到了8.3×1011～35.6×1011cells.g-1,比湖水本底值中细菌的总数高出了8～9个数量级.对除藻及藻毒素过程中的优势菌种,经过培养、分离,考察其形态、生理生化特性,利用聚合酶链反应(PCR)、16S rRNA序列分析技术,经鉴定确认该优势菌株为假单胞菌属(Pseudomonas sp.)和芽孢杆菌(Bacillussp.).组合载体AP上富集的大量微生物,它们的协同降解作用是去除藻及藻毒素的主要作用机制.     

闽江河口芦苇潮汐湿地甲烷通量及主要影响因子

2007年利用静态箱-气相色谱仪法对闽江河口区最大的鳝鱼滩芦苇湿地和入侵种互花米草斑块涨潮前、涨落潮过程及落潮后甲烷通量季节动态进行了原位测定,并利用室内培养-气相色谱仪法测定了芦苇湿地不同土层土壤甲烷产生潜力.结果表明,鳝鱼滩芦苇湿地全年均属于大气甲烷的排放源,排放通量具有明显的季节变化;涨潮前、涨落潮过程和落潮后甲烷通量大小并无一致的规律,平均排放通量分别为5.13、5.06和4.74 mg·m-2·h-1,差异不显著,其中涨落潮过程排放到潮水和大气环境的甲烷通量分别为2.98和2.08 mg·m-2·h-1.互花米草入侵斑块年均甲烷排放通量(11.02mg·m-2·h-1)明显高于芦苇湿地年均甲烷排放通量(4.98mg·m-2·h-1),互花米草入侵明显增加了闽江河口区湿地的甲烷排放通量.芦苇湿地0～40 cm土壤中甲烷产生潜力范围为0.029～0.123μg·g-1·d-1,0～5 cm土层的甲烷产生潜力最大,且与其它土层差异显著(P<0.05).气温、土壤温度和地上生物量对芦苇湿地甲烷排放影响显著(P<0.05),落潮后芦苇湿地甲烷排放通量与盐度有负相关关系.