蛋白质加合物作为分子生物标志物的分析研究

为了探索研究用人的静脉血中蛋白质 -环氧苯乙烯加合物作为人接触苯乙烯的分子生物标志物的可行性 ,用改进的 Ra-Ni方法分析测定蛋白质 -环氧苯乙烯加合物 .收集大白鼠鲜血与环氧苯乙烯体外反应的加合物样品 ,用定量苯乙烯 ,环氧苯乙烯染毒的大白鼠血样品和 2个现场接触苯乙烯的工人静脉血 (石棉厂 ,钢琴厂 )样品 ,测所有样品里的蛋白质加合物 .结果表明体外反应样品 ,所测的蛋白质 -环氧苯乙烯加合物与环氧苯乙烯剂量有较好的相关性 ;动物实验样品所测的蛋白质加合物分别与注射环氧苯乙烯 ,苯乙烯剂量呈较好的相关性 ;现场人群的样品 ,所测石棉厂的人群血中蛋白质加合物与接触苯乙烯剂量有一定的相关性 ,而钢琴厂的人群血样中所测的蛋白质加合物与接触苯乙烯剂量相关性不明显 .根据蛋白质 -环氧苯乙烯加合物与剂量的关系 ,初步确认用血红蛋白中的半胱氨酸 -环氧苯乙烯加合物作为人接触苯乙烯的分子标志物有可行性 .同时为用蛋白质 -环氧苯乙烯加合物作为人接触低浓度苯乙烯的分子生物标志物提供可靠的现场实验数据 .     

消毒副产物中的氯原子对其分子描述符的影响

分析消毒副产物中氯原子数对分子描述符 ,辛醇 /水分配系数 Log P、最低空轨道能量 L UMO、前线轨道能量 HOMO、HO-MO-LUMO(ΔE)以及偶极矩的影响 .结果表明不同种类化合物对不同分子描述符的影响是不同的 ,其中以 Log P和 LUMO对氯原子数的相关性较好 ,HOMO次之 ,ΔE和偶极矩最差 .     

顶空气相色谱法测定水体中的低分子量胺类

选用在强碱性条件下加入电解质,使水体中的胺类进入气相,顶空进样至气相色谱分析。同时选用ＨＰ－１大口径毛细管柱及ＮＰＤ检测器分析,既保证了各低分子量胺类物质的分离,又保证定量分析的高灵敏度。本方法操作简单,灵敏度高,重复性好、适应范围广,对水中各胺类的最低检出浓度分别为：甲胺０．４μｇ／Ｌ、二甲胺０．４μｇ／Ｌ、三甲胺０．４μｇ／Ｌ、乙胺０．５μｇ／Ｌ。本方法可用于水和废水中低分子量胺类的测定。     

Fenton氧化对制浆造纸废水分子量及可生化性变化的影响

以制浆造纸废水的初沉池出水为研究对象,对不同剂量的Fenton氧化试剂处理制浆造纸厂初沉废水的效果进行了研究,初沉废水中的分子量大于10 000的有机污染物含量占到83%,废水可生化性较差;在Fe2+与H2O2的摩尔比为1∶5,废水pH为3.5的条件下,H2O2(30%)投加量小于3.25 mL/L时,Fenton试剂的氧化效率更高;H2O2(30%)投加量为6.50 mL/L时,废水中污染物的去除率更高,其中废水COD的去除率为79.5%,AOX的去除率为75.3%,色度去除率为97.5%,同时处理后废水中分子量在500~3 000之间的有机物含量占到82.98%,废水的BOD5/COD值提高到0.56。Fenton氧化作为前置技术处理制浆造纸废水,可以降低废水中的有机物分子量,减少废水的生物毒性,增加废水生物降解性,有助于后续生物处理的正常运行。     

城市污水二级出水中溶解性有机物特性分析

分别采用凝胶色谱、亲疏水性组分分离、荧光色谱等方法,研究了城市污水处理厂二级出水中溶解性有机物的分子量分布、亲疏水组分含量以及荧光光谱特性。结果表明,二级出水中疏水性组分较亲水性组分多,疏水性组分约占总有机物的64.3%,而亲水性组分占35.7%左右;二级出水及其不同亲/疏水组分中溶解性有机物分子量分布基本集中在4.5 kDa以下,其中弱疏水性组分和亲水性组分中主要为分子量小于1.5 kDa的有机物;二级出水溶解性有机物中含有腐殖酸类、富里酸类以及蛋白质类物质,其中含量以腐殖酸类为主。     

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.     

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).     

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。     

三菌复合发酵提高厨余真蛋白含量的研究

为改善厨余发酵的品质,增加发酵后产品蛋白含量。采用三菌复合对厨余进行发酵,探讨了三菌复合的比例、接种量、发酵时间、初始pH值对发酵效果的影响,采用L9(34)正交实验对发酵条件进行优化,并对实验菌Lc和Ydy进行16S rRNA及18S rRNA分子鉴定。结果表明,最佳发酵条件为:菌剂配比(Lc∶Ydy∶S1)为3∶2∶1,接种量为0.15%,初始pH值为5.0,发酵时间为48 h。扩大实验结果表明,在最优发酵条件下,厨余经发酵后品质得到改善,真蛋白含量由发酵前的15.42%上升到发酵后的22.47%,增加率为45.80%;发酵后大肠菌群下降到30 cfu/g以下;乳酸菌及酵母菌数量分别为1.5×109 cfu/g和6.6×108 cfu/g。分子测序及鉴定结果表明,Lc为乳酸乳球菌,Ydy为热带假丝酵母菌。