离子液体吸收废印刷线路板热拆解过程中挥发性有机物——基于COSMO-RS模型

模拟废印刷线路板（WPCB）的热拆解过程,分析热拆解过程中的挥发性有机物（VOCs）组分;利用真实溶剂似导体屏蔽（COSMO-RS）模型对浓度较高的污染物进行量子力学模拟,研究离子液体（ILs）组成单元对目标污染物溶解度的影响差异,分析溶解过程中主导分子间作用力类型,确定优选吸收剂;测定不同溶剂进行溶解性,验证模型适用性.结果表明：①乙酸乙酯和环戊酮是浓度较高的VOCs组分,在240和250℃时浓度分别为43.1,153mg/m³和105,252mg/m³,质量百分比总和分别为76.3%和67.3%.②高表面屏蔽电荷密度分布峰、长烷基链阴阳离子和亲电基团的存在可提高乙酸乙酯和环戊酮在ILs中的溶解度.双三氟甲磺酰基亚胺盐（NTf₂^-）类ILs是一类优良吸收剂.静电力和范德华力对溶解过程起主导作用.③COSMO-RS模型可定性和半定量用于预测乙酸乙酯和环戊酮的溶解度.     

核壳结构KNbO3@Co(OH)2的制备及其活化过一硫酸盐降解帕珠沙星的研究

制备了以KNbO₃为载体材料的Co（OH）₂复合材料并对其进行了详细的表征,分析了材料的组成成分、组成形态进而确定了其为核壳结构形貌的KNbO₃@Co（OH）₂.利用合成的样品作为催化剂活化过一硫酸盐（peroxymonosulfate,PMS）来降解帕珠沙星（pazufloxacin,PZF）,结果表明制备的催化剂对PZF的去除效率显著增加.讨论了不同初始PMS剂量对降解效率的影响,发现随着PMS增加可活化生成更多的硫酸根自由基（sulfate radicals,SO₄^·-）和羟基自由基（hydroxyl radicals,HO^·）来降解PZF,但继续增大PMS用量降解效率未见明显提升.酸性和中性pH值条件下利于反应活化PMS降解PZF,而碱性体系减缓反应,甚至强碱体系更易形成Co（OH）₂沉淀不利于反应体系中活性组分CoOH⁺的形成,大大抑制了催化性能.此外,在体系中加入淬灭剂叔丁醇（tert-Butanol,TBA）或者乙醇（ethanol,ETOH）进行自由基的淬灭实验,结果表明SO₄^·-自由基为体系降解PZF过程中主要贡献的自由基,而HO^·自由基的贡献较少.催化剂具有较好的稳定性5次循环之后仍能在10 min之内完全去除PZF.本研究提出了新的思路为制备其他载体的Co（OH）₂核壳结构提供参考依据,同时将该催化剂结合高级氧化技术应用到水体新兴有机污染物净化领域具有很好的应用前景.     

红树林土壤解磷菌的分离鉴定及解磷特性

从罗源湾红树林根际土壤中分离解磷菌,筛选出洋葱伯克霍尔德菌（Burkholderia cepacia, NR 113645.1）和短小芽孢杆菌（Bacillus pumilus, NR 043242.1）,研究它们的解磷特性和动态解磷过程. HPLC结果表明, B. cepacia菌液上清中含葡萄糖酸、丙酮酸、乳酸、乙酸、丁二酸, 这些有机酸的产生导致磷酸盐溶解. B.pumilus菌液上清中仅检测到少量的葡萄糖酸, 因此该菌溶磷效果不佳. 在细菌动态溶磷过程中发现, 经B. cepacia菌处理的磷酸钙, 其X射线衍射（XRD）特征峰强度随时间的增长降低, 显微镜图像显示磷酸钙颗粒随时间增长变小, 甚至消失. 而经B.pumilus菌处理的结果表明, 在试验期间内磷酸钙峰强度和颗粒大小没有明显变化. 细菌产生有机酸是溶解磷酸盐的重要前提, 这是解决板结土壤中难溶性磷源转化为生物可利用磷源问题的关键.     

Fas/FasL途径在氟暴露致PC12细胞凋亡中的作用

为了探讨Fas/FasL途径在氟暴露致PC12细胞凋亡中的作用及其机制,采用含20、40、80、160mg/L NaF培养液处理PC12细胞.结果表明,所有剂量NaF处理12、24、36、48h,PC12细胞活性升高;上述不同剂量NaF处理24h后,与对照组比,PC12细胞的活性氧水平、细胞凋亡率、细胞内Fas/FasL信号转导通路Fas和FasL、Caspase8、FADD、Caspase3基因和蛋白表达水平均呈显著上升（P < 0.05）,而Bid基因和蛋白表达水平显著下降（P < 0.05）,且呈氟暴露剂量依赖性.结果提示Fas/FasL途径在氟暴露致PC12细胞凋亡中起重要作用,其中FADD可能是Fas/FasL凋亡途径中的重要靶分子.     

酸性紫色水稻土颗粒有机质对镉的吸附特性

采集典型的酸性紫色水稻土（APPS）,从中分离出颗粒有机质（POM）,通过批量试验研究POM及其来源土壤Cd²⁺的吸附动力学、等温吸附和热力学特征,通过扫描电镜-能谱仪、傅里叶红外光谱仪等手段及吸附前后镉的形态变化的测定,研究了POM对Cd²⁺的吸附机制.结果表明：POM对Cd²⁺的亲和力远高于其来源土壤.POM及土壤对Cd²⁺的吸附动力学最优模型均为准二级动力学.Langmuir、Freundlich方程均能较好地描述其等温吸附特征,其中对POM,以Freundlich方程更优,表明POM对Cd²⁺的吸附属于多分子层的非均质吸附.吸附热力学参数△G^θ均小于0、△H^θ和△S^θ均大于0,表明吸附属于自发吸热过程.根据△H^θ值及解吸试验判定POM对Cd²⁺的吸附以化学吸附为主,土壤对Cd²⁺的吸附过程以物理吸附为主.吸附平衡后,土壤中可交换态镉比例提高,而POM中交换态和络合态镉比例增加.综上及吸附前后POM的表征结果说明,POM对Cd²⁺的吸附机制包括含氧官能团的络合、离子交换、阳离子-π键、沉淀作用和静电吸附.     

稻田NO3-还原耦合As(III)氧化过程及微生物群落特征

以华南稻田土壤为研究对象通过构建微宇宙体系,研究了淹水稻田自养硝酸盐还原耦合As（III）氧化过程及其微生物群落结构组成.结果表明,NO₃^-的添加促进了稻田土壤中As（III）的氧化,在未添加NO₃^-的处理（Soil+As（III））以及灭菌处理（Sterilized soil+As（III）+NO₃^-）中As（III）未发生明显的氧化;在Soil+As（III）+NO₃^-处理中,NO₃^-有少量被还原,而在Soil+NO₃^-处理中,NO₃^-没有被还原.通过16S rRNA高通量分析在NO₃^-还原耦合As（III）氧化体系中微生物群落结构特征,在Soil+As（III）+NO₃^-处理中shannon指数相对较低为8.19,土壤微生物群落多样性降低,其中在门水平上主要优势菌群为变形菌门Proteobacteria（33%）、绿弯菌门Chloroflexi（11%）、浮霉菌门Planctomycetes（12%）;在属水平上主要的优势菌属为Gemmatimonas（7.4%）以及少量的Singulisphaera、Thermomonas、Bacillus.NO₃^-的添加能够促进稻田土壤中自养As（III）氧化,并且影响着稻田土壤中微生物群落组成.     

雨水管道沉积物中典型无机氮的干期粒径分布

以南京江北新区分流制雨水管道沉积物为研究对象,考察不同粒径沉积物中铵态氮（NH₃-N）和硝态氮（NO₃^--N）干期分布特征,分析其随干期长度的变化关系,并探讨沉积物理化性质及微生物菌群结构对NH₃-N和NO₃^--N干期分布的影响.结果表明：粒径≤0.075mm的沉积物中NH₃-N占比最高（交通区30.8%,商业区36.7%）;交通区粒径≤0.075mm的沉积物中NO₃^--N占比最高（33.0%）,而商业区粒径0.075~0.15mm沉积物中NO₃^--N占比最高（34.4%）;干期长度与交通区0.075~0.15mm粒径段的沉积物中NO₃^--N含量及商业区粒径≥0.3mm的沉积物中NH₃-N含量之间的相关性均最显著;雨水管道沉积物中NH₃-N和NO₃^--N的干期分布与O-H和N-H等官能团、表面极性和亲水性、微观形貌等有一定关联;交通区雨水管道沉积物中Gemmobacter等反硝化优势菌种（相对丰度总和为20.15%）对NO₃^--N干期分布影响更显著.     

Performance of different macrophytes in the decontamination of and electricity generation from swine wastewater via an integrated constructed wetland-microbial fuel cell process

Plants constitute a major element of constructed wetlands(CWs).In this study,a coupled system comprising an integrated vertical flow CW(IVCW) and a microbial fuel cell(MFC) for swine wastewater tre atment was developed to research the effects of macrophytes commonly employed in CWs,Canna indica,Acorus calamus,and Ipomoea aquatica,on decontamination and electricity production in the system.Because of the different root types and amounts of oxygen released by the roots,the rates of chemical oxygen demand(COD) and ammonium nitrogen(NH_4~+-N) removal from the swine wastewater differed as well.In the unplanted,Canna indica,Acorus calamus,and Ipomoea aquatica systems,the COD removal rates were 80.20%,88.07%,84.70%,and 82.20%,respectively,and the NH_4~+-N removal rates were 49.96%,75.02%,70.25%,and 68.47%,respectively.The decontamination capability of the Canna indica system was better than those of the other systems.The average output voltages were 520±42,715±20,660±27,and 752±26 mV for the unplanted,Canna indica,Acorus calamus,and Ipomoea aquatica systems,respectively,and the maximum power densities were 0.2230,0.4136,0.3614,and0.4964 W/m~3,respectively.Ipomoea aquatica had the largest effect on bioelectricity generation promotion.In addition,electrochemically active bacteria,Geobacter and Desulfuromonas,were detected in the anodic biofilm by high-throughput sequencing analysis,and Comamonas(Proteobacteria),which is widely found in MFCs,was also detected in the anodic biofilm.These results confirmed the important role of plants in IVCW-MFCs.     

Fast and efficient aqueous arsenic removal by functionalized MIL-100(Fe)/rGO/δ-MnO2 ternary composites: Adsorption performance and mechanism

Because of its significant toxicological effects on the environment and human health,arsenic(As) is a major global issue.In this study,an Fe-based metal-organic framework(MOF)(Materials of Institut Lavoisier:MIL-100(Fe)) which was impregnated with reduced graphene oxide(rGO) by using a simple hydrothermal method and coated with birnessitetype manganese oxide(δ-MnO_2) using the one-pot reaction process(MIL-100(Fe)/rGO/δ-MnO_2 nanocomposites) was synthesized and applied successfully in As removal.The removal efficiency was rapid,the equilibrium was achieved in 40 min and 120 min for As(Ⅲ) and As(Ⅴ),respectively,at a level of 5 mg/L.The maximum adsorption capacities of As(Ⅲ) and As(Ⅴ) at pH 2 were 192.67 mg/g and 162.07 mg/g,respectively.The adsorbent revealed high stability in pH range 2-9 and saturated adsorbent can be fully regenerated at least five runs.The adsorption process can be described by the pseudo-second-order kinetic model and Langmuir monolayer adsorption.The adsorption mechanisms consisted of electrostatic interaction,oxidation and inner sphere surface complexation.     

Density functional theory (DFT) studies of vanadium-titanium based selective catalytic reduction (SCR) catalysts

Based on density functional theory (DFT) and basic structure models, the chemical reactions on the surface of vanadium-titanium based selective catalytic reduction (SCR) denitrification catalysts were summarized. Reasonable structural models (non-periodic and periodic structural models) are the basis of density functional calculations. A periodic structure model was more appropriate to represent the catalyst surface, and its theoretical calculation results were more comparable with the experimental results than a non-periodic model. It is generally believed that the SCR mechanism where NH₃ and NO react to produce N₂ and H₂O follows an Eley-Rideal type mechanism. NH₂NO was found to be an important intermediate in the SCR reaction, with multiple production routes. Simultaneously, the effects of H₂O, SO₂ and metal on SCR catalysts were also summarized.