TS-1分子筛催化O_3/H_2O_2氧化乙酸

研究了酸性条件下TS-1分子筛催化O3/H2O2体系（O3/H2O2/TS-1）对降解水中乙酸效率的影响,优化了相关工艺参数,并对其作用机理进行了分析。结果表明,在pH为2.8时,TS-1的加入能显著提高臭氧化的降解效率。优化工艺参数表明,当过氧化氢投加量为3 g/L,TS-1投加量为5 g/L时,O3/H2O2/TS-1体系对乙酸具有较高的降解率,60 min后O3/H2 O2/TS-1体系对乙酸（初始浓度为100 mg/L）的去除率达到了58.7%。当pH为0.8时,O3/H2 O2/TS-1体系对乙酸的去除率仅为19.8%,降解效果较差。定量化计算表明,O3/H2O2和O3/H2O2/TS-1的Rct分别为1.62×10-8和8.67×10-7。通过测定乙酸降解过程水样中过氧化氢和液相臭氧的浓度变化,推测了具体反应机理。由于此体系在酸性条件下对乙酸有较好的降解效果,拓宽了现有O3/H2O2体系的应用范围。     

膜-生物反应器处理餐饮废水过程中溶解性有机物的迁移变化特性研究

借助于凝胶过滤色谱(GFC)分子量测定技术和三维荧光(EEM)光谱技术,对膜一生物反应器(MBR)处理餐饮废水过程中溶解性有机物(DOM)的迁移变化特性进行了研究.结果表明,GFC分析中,在析出的前12 min,除了调节池出水,其他各工艺阶段(原水、气浮池出水、MBR出水)水样中均有大分子有机物(分子量＞400 ku)...     

MBR污泥混合液特性变化及膜污染关系研究

考察了长期运行不排泥情况下膜生物反应器(MBR)中的污泥混合液特性变化,并结合Darcy公式探讨污泥性质与膜污染的关系.研究表明,在130 d的运行期间,随着污泥龄(SRT)的增加,污泥浓度增大,混合液粘度增大,污泥的平均粒径从51.56 μm增加到92.57μm后略有减小;对比上清液和出水的分子量分布特征发现,膜组件...     

QSAR models for predicting the toxicity of halogenated phenols to Tetrahymena

Halogenated phenols are industrial pollutants which may cause serious damage to the environment. In this work, a two-dimensional (2D) and two three-dimensional (3D) quantitative structure–activity relationship models for the toxicity prediction of halogenated phenols in Tetrahymena were developed. The structural factors that mainly influence toxicity were explored, agreeing with previously reported data. The results obtained with the 3D model were in agreement with those obtained with the 2D model. According to our findings, several new molecules with different predicted activities were designed.     

Ti-MCM-41分子筛对Cr（Ⅵ）的吸附性能

以发烟硅胶为硅源、钛酸四丁酯为钛源,采用水热合成法制备了一系列不同n（Si）∶n（Ti）的Ti-MCM-41分子筛,采用XRD、UV-Vis、BET及ICP技术对其进行了表征,考察了其对溶液中Cr（Ⅵ）的吸附性能及重复使用性能。结果表明：制备的Ti-MCM-41分子筛保持了MCM-41的介孔结构,但随着Ti含量的增加分子筛的比表面积、孔径和总孔体积均降低;在初始Cr（Ⅵ）质量浓度为100 mg/L、Ti-MCM-41分子筛（投料n（Si）∶n（Ti）为40）投加量为1 g/L、吸附时间为60 min、吸附温度为323 K、溶液pH为6的条件下,Cr（Ⅵ）吸附率可达96.3%;Ti-MCM-41分子筛对Cr（Ⅵ）的吸附符合Langmuir等温吸附模型;Ti-MCM-41分子筛的重复使用性能良好。     

Interaction of diuron to human serum albumin: Insights from spectroscopic and molecular docking studies

This investigation was undertaken to determine the interaction of diuron with human serum albumin (HSA) was studied by monitoring the spectral behavior of diuron-HSA system. The fluorescence of HSA at 340 nm excited at 230 nm was obviously quenched by diuron due to dynamic collision and the quenching constant was of the order of 10⁴ L mol^?1 at 310 K. However, no fluorescence quenching was observed when excited at 280 nm. Thermodynamic investigations revealed that the combination between diuron and HSA was entropy driven by predominantly hydrophobic interactions. The binding of diuron induced the drastic reduction in α-helix conformation and the significant enhancement in β-turn conformation of HSA. In addition, both sites marker competition study and molecular modeling simulation evidenced the binding of diuron to HSA primarily took place in subdomain IIIA (Sudlow's site II).     

Production of anti-amoxicillin ScFv antibody and simulation studying its molecular recognition mechanism for penicillins

The molecular recognition mechanism of an antibody for its hapten is very interesting. The objective of this research was to study the intermolecular interactions of an anti-amoxicillin antibody with penicillin drugs. The single chain variable fragment (ScFv) antibody was generated from a hybridoma cell strain excreting the monoclonal antibody for amoxicillin. The recombinant ScFv antibody showed similar recognition ability for penicillins to its parental monoclonal antibody: simultaneous recognizing 11 penicillins with cross-reactivities of 18–107%. The three-dimensional structure of the ScFv antibody was simulated by using homology modeling, and its intermolecular interactions with 11 penicillins were studied by using molecular docking. Results showed that three CDRs are involved in antibody recognition; CDR L3 Arg 100, CDR H3 Tyr226, and CDR H3 Arg 228 were the key contact amino acid residues; hydrogen bonding was the main antibody–drug intermolecular force; and the core structure of penicillin drugs was the main antibody binding position. These results could explain the recognition mechanism of anti-amoxicillin antibody for amoxicillin and its analogs. This is the first study reporting the production of ScFv antibody for penicillins and stimulation studying its recognition mechanism.     

低分子量壳聚糖Nd3＋配合物的合成及抑菌性研究

通过将高分子量壳聚糖经双氧水氧化降解制得低分子量壳聚糖,再与Nd3＋配位制得低分子量壳聚糖Nd3＋配合物,通过IR,UV,TG—TDA和GPC分析对L—CTS的分子量及L—CTS—Nd的结构进行了表征,考察了对金黄色葡萄球菌和大肠杆菌的抑菌性能。结果表明,低分子量壳聚糖与Na3＋形成了稳定的配合物,对金黄色葡萄球菌和大肠杆菌均有良好的抑菌效果。     

火电厂烟气脱硫塔气体分布装置设计

喷淋塔扣烟气循环流化床脱硫塔被广泛应用于火电厂烟气脱硫工程中,介绍了两种脱硫塔的气体分布装置及其工艺设计,为脱硫设计提供参考。     

烷基酚类化合物对发光菌的定量构效相关研究

用发光菌(明亮发光菌T₃变种)对16种烷基酚进行了毒性测试(EC₅₀),并利用分子连接性指数、辛醇/水分配系数及电子参数进行毒性预测,在实验基础上获得有效的估测模式,并对活性作用机制进行了探讨.