Lipophilicity and Metabolic Route Prediction of Imidazolium Ionic Liquids * (6 pp)

- Aims and Background. Ionic liquid application in industry will offer several excellent solutions, but it also means that they will enter the environment sooner or later. Responsible product design should always take into consideration not only technological demands, but also the risks arising out of possible toxicity and ecotoxicity. In our strategy we are aiming to understand the fate of these entities through their life cycle in the environment as a complimentary element of their design. This paper presents results on the lipophilicity of selected imidazolium ionic liquids, a parameter that plays a key role in environmental and biological distribution. Additionally, the prediction of the most stable metabolite of a 1-butyl-3-methylimidazolium (BMIM) cation – a congener representative of this group of compounds is presented. Materials and Methods Lipophilicity was evaluated by means of reversed phase and immobilized artificial membrane chromatography and further compared to calculated data. Theoretical prediction of lipophilicity was undertaken using fragmental methodology combined with manual calculations of the geometric bond factor for quaternary ammonium and the electronic bond factor due to the presence of a charge. Results and Discussion All the substances studied are characterized by very low partition coefficients, and lipophilicity varies linearly with elongation of the n-alkyl chain. Prediction of metabolic routes was based solely on thermodynamic data of the radical intermediates formed during the reaction with the cytochrome P450 system. The energetically most stable radical structure is generated by hydrogen abstraction from the gamma position of the BMIM cation. Conclusions and Recommendations. The experimentally measured and theoretically estimated lipophilicity coefficients obtained for all the compounds studied generally indicate a relatively low lipophilicity and thus preferable partition to the aqueous phase. By means of thermodynamic data, it was also confirmed that the energetically most stable radical structure is generated by hydrogen abstraction from the gamma position on the alkyl chain in the 1-alkyl-3-methylimidazolium cation, as a result of which the C1 atom is preferentially oxidized. - * The basis of this peer-reviewed paper is a presentation at the 9th FECS Conference on 'Chemistry and Environment', 29 August to 1 September 2004, Bordeaux, France.     

成型膨润土和钛柱撑膨润土对水中Pb2+和氯乙酸吸附及再生

针对水中微量铅离子和氯乙酸的脱除，考察了成型膨润土及成型钛柱撑膨润土的吸附性能，得出对铅离子的吸附，成型膨润土、成型钛柱撑膨润土与粉末状活性炭性能相当，而对氯乙酸的吸附前两者要比粉末状活性炭低好多。确定了成型膨润土吸附氯乙酸后可用沸水煮沸30 min的方法再生，成型钛柱撑膨润土吸附氯乙酸后，可用500℃焙烧3 h的方法再生，再生的膨润土循环使用3次后性能降低明显。此外，还测得了成型的膨润土及成型的钛柱撑膨润土吸附铅离子和氯乙酸的等温线，计算出其对铅的最大吸附量分别为24.33 mg/g和15.47 mg/g。     

云南金沙江流域主要森林植被类型分布格局

云南金沙江流域具有复杂的地形地貌,从地貌格局及气候系统差异上,可将该区域的森林植被类型分异划分为3个区,即西部高山峡谷区、中部中山峡谷和滇中高原区、东部中山山原峡谷区,不同的区域决定不同的植被类型,而典型的植被类型具有指示特定区域的作用。通过分析,把云南金沙江流域不同区域的植被特点、类型进行了阐述。对于该区域的植被恢复,特别是植被类型,是遵照自然规律的原则,保证恢复效果的重要举措。同时,对不同区域森林植被类型及不同区域森林植被垂直差异的论述,阐明了云南金沙江流域不同区域的顶极和亚顶极植物群落,为人工按“近自然化”的原则恢复森林植被提供了参考依据。     

基于新型拓扑指数的咪唑类离子液体捕集CO2性能预测

大量温室气体CO_2的存在严重影响环境,而咪唑型离子液体具有独特的气体溶解性,在CO_2捕集方面的应用较为广泛。基于定量结构-性质相关性(QSPR)原理提出了一种新的描述符——拓扑指数(Topological Index,TI)描述符,研究了咪唑类离子液体捕集CO_2的性能与其拓扑指数描述符之间的内在定量关系。应用遗传算法获得与捕集量最为密切相关的一组拓扑指数描述符,将其与温度和压力一起作为输入参数,分别采用多元非线性回归算法及支持向量机算法建立了咪唑类离子液体捕集CO_2性能与其拓扑指数描述符之间的非线性模型。通过多元非线性回归算法得出训练集和测试集的决定系数分别为0.771和0.754,由支持向量机算法得出训练集和测试集的决定系数分别为0.990和0.981。对预测模型进行了评价验证及稳定性分析,结果表明,两种模型均具有良好的稳定性能和预测能力。根据拓扑指数描述符所建立的预测模型为工程应用提供了一种预测咪唑类离子液体捕集CO_2性能的有效方法。     

超声波辅助离子液体-盐酸溶液预处理稻秆的研究

为研究超声波对离子液体-盐酸溶液预处理木质纤维素的影响,采用氯化-1-丁基-3-甲基咪唑和氯化-1-烯丙基-3-甲基咪唑的盐酸溶液在超声辅助下对稻秆于30~70℃进行预处理,探讨了温度、酸度和处理时间对酶解产糖量的影响,并在最佳条件下通过酶解糖化、成分分析、表面形貌、结晶度及化学结构的变化对有无超声辅助下预处理的效果进行考察.结果表明,温度、酸度及处理时间对酶解产糖量具有显著影响,在超声波辅助下,产糖量、纤维转化率及脱木质素率分别提高20.13%~28.96%、31.69%~35.23%和18.06%~19.33%.扫描电镜、X-射线衍射及傅里叶变换红外光谱分析表明,超声波辅助离子液体-盐酸溶液预处理能够促进对稻秆表面形貌和化学结构的破坏,并降低纤维素的结晶度.     

不同气候类型下植物物候的影响因素综述

植物物候对气候变化非常敏感,可作为环境变化对植物生理活动影响的指示。植物物候的变化不仅可反映和预测全球环境的变化,还对地球物质循环和能量流动过程有着重要的影响。因此,结合植物生长背景,全面分析植物物候影响因素,探究植物物候对气候变化的响应是十分必要的。本文基于不同的气候类型下植物物候的研究,介绍了不同气候类型本身存在的气象、地域差异,总结不同气候类型下植物物候地域性特征;总结了热带亚热带气候、温带气候、寒带气候、高原山地气候4大类气候类型下植物物候变化及影响因素;讨论了当前物候研究的主要问题,并对未来研究进行了展望。综述表明,植物物候响应随气候类型呈现出不一致性,不同气候类型下影响植物物候的关键因素也不同。植物物候研究需结合植物生长环境,综合讨论相关影响因素。     

河北生态环境恶化类型,成因与调控对策

本文论述了河北省生态环境恶化类型,分析了造成其恶化的主要原因,并提出了改善河北省生态环境的调控对策。     

三江源国家公园不同草地土壤微生物功能基因的差异性分析

土壤微生物在陆地生物地球化学循环过程中起着非常重要的作用。为了探索青藏高原高寒草地类型地上植被特性和地下土壤环境与土壤微生物功能基因之间关系,以三江源国家公园高寒草原、高寒沼泽化草甸及高寒草甸3种典型草地类型为研究对象,利用基因芯片(GeoChip 5.0)技术测定其微生物功能基因丰度,并分析它们之间的差异及影响因素。结果表明:(1)3种草地类型地上群落结构和地下土壤环境存在差异性,其中高寒草原物种多样性指数、pH值较高,沼泽化草甸中土壤含水量、微生物量碳、地上生物量、土壤速效氮含量较高,高寒草甸中则是土壤微生物量氮含量较高;(2)3种高寒草地类型的碳循环、氮循环、磷循环、有机修复的土壤微生物功能基因丰度存在显著差异,其中这些功能基因的丰度在高寒沼泽化草甸最高,高寒草甸、高寒草原次之;(3)地上植物物种多样性虽对功能基因丰度变化的解释率(r2)在57.1%-61.2%之间,但统计学上不显著(P>0.05),而微生物基因丰度随地上生物量的增加而增加,且解释率(r2)为77.5%-80.0%(P<0.05)。在pH、土壤含水量、土壤微生物量等地下土壤环境因子中,pH对功能基因丰度存在显著影响(P<0.01)解释率在83.4%-87.5%间,且土壤微生物功能基因丰度随土壤pH的增加而降低;土壤含水量、土壤微生物量对土壤微生物功能基因丰度的解释率分别为81.9%-83.1%(P<0.05)和76.8%-86.2%(P<0.05),微生物功能基因丰度随这两者含量的增加呈上升趋势。进一步运用RDA分析发现,pH、土壤微生物量、地上生物量是影响微生物功能基因丰度的主要因子,其中土壤微生物量是土壤有机质的重要组成部分,土壤有机质又是通过地上植被凋落物沉积所得到的。因此,地上植被特性的自上而下控制因子影响了土壤环境中自下而上的控制因子,间接的影响了微生物功能基因丰度。由此得出,地上植被特性和地下土壤环境因子共同作用控制了微生物功能基因丰度使其出现差异性。     

Monitoring and assessment of land use status by GIS

The objectives of this study were to assess land suitability andto monitor the spatial and temporal changes in land use types (LUTs)by using GIS. The study was conducted in an irrigated area of 920ha, located in the East Mediterranean region of Turkey. Archiveddata of LUTs were utilized. Data analysis was conducted by usingArcInfo and ArcView GIS softwares. The land characteristics werecompared with land requirements of present LUTs by taking intoaccount the land evaluation results. Three major soil series andtwelve different LUTs were identified. Corn and citrus were themost planted LUTs in the assessment period. Generated mapsdemonstrated how LUTs changed spatially and temporally. Most LUTswere clustered in certain areas indicating that farmer'sselection of LUTs was affected by their habits and neighbor'sbehavior. Land suitability assessment results indicated thatCanakci and Mursel soil series were found to be highly suitable forall LUTs while Arikli soil series was determined to be moderately suitablecitrus, vegetables and watermelon. Citrus plantationmaps overlaid on soil series maps demonstrated that the citrushas not been planted completely on suitable areas. Landsuitability assessment showed that citrus plantation in Arikliseries would result in 40% yield loss and 58% of land is notused at its potential.     

乌鲁木齐大气微生物污染研究

采用网格布点用自然沉降法同步采样，调查和研究乌鲁木齐建成区大气微生物浓度分布、污染现状及微生物污染类型特征．结果表明：乌鲁木齐市大气微生物以细菌为主导，占微生物总数的７９．５％，真菌约占２０．５％．建成区大气微生物达５级中污染水平．大气微生物污染分布与环境条件和环境质量都有一定关系。