芳烃类化合物结构表征及-lgK_(ow)定量预测

为探寻芳烃类有机物结构与正辛醇/水分配系数(-lgK_(ow))的关系,应用分子顶点及顶点相互作用矢量对芳烃类有机物进行了结构表征.采用多元线性回归及逐步回归建立了3个定量结构-性质关系的-lgK_(ow)模型.经过比较,发现模型M3具有最佳模拟结果,此时模型的复相关系数为0.946,标准偏差为0.392.为检验模型的稳定性,采用留一法(leave-one-out)对模型进行了交互检验,复相关系数为0.920,标准偏差为0.429.     

Cytotoxicity of resorcinol under short- and long-term exposure in vitro.

Cytotoxicity of resorcinol to 3T3 fibroblast in short- (3 hrs) and long-term (72 hrs or 6 weeks) exposure was investigated. The effects of resorcinol on cell viability (neutral red uptake, NRU assay), mitochondrial function (MTT assay) and total cell protein (Kenacid Blue assay) were estimated. As a model for long-term exposure an INTEGRA CL 6-WELL bioreactor was used. The concentrations of resorcinol producing 20, 50 and 80% inhibition of cell growth in the NRU test were lower than in the MTT test after 3 hrs of exposure. The use of an INTEGRA CL 6-WELL bioreactor allows continuous culturing and exposure to test chemical of cells for several weeks, but the strong adhesiveness of fibroblast and forming aggregates make it difficult to remove them from chambers. Resorcinol in concentration of 1 microg/cm(3) did not decrease the viability of cells to 50% of control in long-term exposure in the bioreactor.     

苯酚对生物硝化过程的抑制

硝化细菌由于其特殊的生理生态特性,容易受环境因素和共存有毒有害物质的影响,使硝化过程不稳定,脱氮效率降低.采用批式试验,研究了苯酚对生物硝化过程的抑制效应.结果表明,苯酚对硝化有抑制作用,该抑制属非竞争性抑制,是可逆的.苯酚与2,4-二氯酚共存时产生叠加抑制效应.且抑制剂存在时,温度对硝化速率影响更大.因此含酚废水生物脱氮处理时需引起注意.     

有机磷农药对海洋扁藻毒性构效关系的密度泛涵理论研究

采用密度泛函理论方法,在B3LYP/6-311G**水平上,计算了11个有机磷农药化合物的结构参数,将结构参数作为理论描述符,导出了有机磷类化合物的分子结构参数与2种盐度(S=20,S=30)下扁藻毒性(-lgEC50)的定量关系式(式(3)和(6)),并用交叉验证法验证,相关系数R分别为0.923 2和0.893 3,交叉验证相关系数q2分别为0.527 0和0.540 5.在此基础上,预测了11种有机磷农药的毒性.研究表明,所得预测方程有较好的稳定性和较强的预测能力.可用于有机磷化合物的-lgEC50预测.     

不同性质土壤中锑对小麦根伸长的毒性阈值及预测模型

针对土壤中锑污染毒性阈值研究较少的现状,参考ISO11269-1根伸长毒性测试标准方法,采集7种不同性质的土壤,利用TableC urve2D软件拟合剂量-效应关系,得到锑对小麦根伸长的毒性阈值(EC10和EC20)及其预测模型。当外源锑质量比增加时,7种土壤中小麦的相对根长均减小。毒性阈值与土壤理化性质相关分析表明,毒性阈值EC10和EC20与土壤p H值呈显著负相关关系,与土壤总铁质量分数呈显著正相关。回归分析得出,土壤p H值和土壤总铁质量分数可以解释90%的毒性阈值的变异。EC10和EC20的预测值与实测值的比值在2倍范围内。研究表明,在不同性质土壤中锑对小麦的毒性阈值有显著差异,土壤p H值、总铁质量分数与小麦的毒性阈值间呈显著相关关系(p0.05),所得回归模型可较好地预测锑对小麦的毒性阈值。     

Occupational Exposure to Harmful Chemical Substances While Processing Phenol-Formaldehyde Resins

Air pollutants emitted while processing phenol-formaldehyde resins have been investigated. Gas chromatography-mass-selective detection was used to separate and identify chemical compounds. It was determined that workers were exposed to formaldehyde in all workplaces. Besides, phenol, acetaldehyde, acrylaldehyde, 2-furaldehyde, xylene, ethylbenzene, toluene, tetrachlorethene, ethyl acetate, butyl acetate were found during the production of frictional materials; and 2-furaldehyde, phenol, naphthalene, 2-furan-methanol, polycyclic aromatic hydrocarbons (PAHs) during the production of abrasive materials. Quantitative analyses were performed with gas chromatogra-phy and high performance liquid chromatography. Assessment of occupational exposure indicated that chemical compounds emitted during the investigated processes might be dangerous for human health, mainly because of suspected carcinogenic compounds: formaldehyde and PAHs.     

一株高效苯酚降解菌的性能研究及动力学分析

苯酚和酚类化合物是工业废水中的主要环境污染物,如焦化厂、炼油厂和石油化工厂等,去除工业废水中的酚类化合物对环境保护有极其重要的意义。通过富集驯化,从石化污水处理厂的活性污泥中筛选出一株产生物表面活性剂的高效苯酚降解菌。并对其进行了生理生化鉴定及降解性能的研究。实验结果表明,BPH-3菌为假单胞杆菌;菌株最佳的降解条件pH=7.0,温度为30℃,转速为150 r/min,最高耐盐度为3%,在接种量为5%,苯酚初始质量浓度为600 mg/L,菌株12 h内的降解率可达100%。     

The Cytotoxicity of Some Organic Solvents on Isolated Hepatocytes in Monolayer Culture

The cytotoxic effects of volatile and water-insoluble organic solvents (ethylbenzene, tetrachloroethylene, n-hexane) were tested on isolated hepatocytes in monolayer culture by using the 3-(4,5 dimethylthiazol-2-yl)-2,5 diphenyltetrazolium bromide (MTT) reduction assay. All of the tested compounds inhibited metabolic activity of hepatocytes and this effect depended on the concentration of solvents in the incubatory medium. The presence of fetal calf serum in the medium did not change the cytotoxicity of xenobiotics. IC₅₀ values calculated on the basis of the MTT assay indicated that ethylbenzene was more cytotoxic than tetrachloroethylene and n-hexane. Using hepatocyte monolayer culture and the MTT assay to assess cytotoxicity of organic solvents causes many technical problems. It seems that it cannot be used as a rapid, cheap, and credible method.     

Extraction of phosphorus compounds from ashes from thermal processing of sewage sludge

The experimental results on the influence of temperature on the combustion process of sewage sludge, physicochemical properties of the produced ash, as well as the course of selective extraction of phosphorus compounds from the ashes with nitric acid, are presented. The selective leaching of phosphorus compounds with limited transfer of ferrous ions into solution was possible as a result of formation of sparingly soluble in nitric acid hematite phase in calcined ashes. Temperature 950 °C of thermal processing of ash was found to be mostly advantageous for selective extraction of phosphorus compounds from the ashes with nitric acid.     

An efficient and clean oxidative bromination reaction of phenol catalyzed by ammonium salt of heteropoly acids supported on silica

An efficient and eco-friendly oxidative bromination reaction of phenol has been achieved by treatment with KBr–H₂O₂ in the presence of a catalytic amount ammonium salt of molybdophosphoric acid or phosphotungstic acid that supported on silica, which were synthesized by sol–gel method. The physicochemical characterization indicated that supported catalysts still retained its Keggin type and the particles were well dispersed onto the surface of silica support. The evaluated results of liquid phase bromination of phenol showed that these catalysts exhibited high catalytic oxybromination activity and high para substituted selectivity, and good stability was also observed after recycling three times. Meanwhile, no highly toxic and corrosive materials were used and formed in the reaction process, which makes this process environmentally benign. The influences of the reaction time, catalyst amount and solvent on oxidative bromination reaction were also investigated.     

制药直排废水和处理后废水对不同营养级别水生生物的毒性

以沈阳市某制药厂制药废水为研究对象,比较制药废水对不同营养级别水生生物的毒性效应,并评估水处理过程对毒性的削减效率。结果表明,制药直排废水和处理过程中各工艺出水对斑马鱼、大型蚤的毒性单位(TU)在1.2~2.9,对斜生栅藻、发光细菌无明显生长抑制和发光抑制效应;进水、水解和好氧过程的草履虫毒性TU在1.2~1.5。生物对制药废水毒性反应的灵敏性从高到低依次为斑马鱼、大型蚤、草履虫、明亮发光杆菌和斜生栅藻。该制药废水经水解酸化-好氧法处理后,水质达到《化学合成类制药工业水污染物排放标准》,但出水仍对大型蚤和斑马鱼产生急性毒性作用。理化指标(COD、BOD_5、NH_3-N)与毒性指标值无显著相关性,毒性去除率低于理化指标去除率。制药废水的毒性随生物营养级别升高而增强,表明其对高等生物具有潜在危害。     

钢筋混凝土旧工业厂房主体结构的改造加固风险研究

为探索钢筋混凝土旧工业厂房的改造与加固风险,进行了实地调研和基础理论研究,借助SPSS 22.0统计软件对32个二级指标进行筛选,确立6个方面29个指标的改造加固风险评价指标体系,运用结构方程模型（SEM）实证分析关键影响因素及其作用路径。研究结果表明:设计方案、结构特征和施工技术对改造加固风险具有影响;结构特征与设计方案之间的强关联形成了隐性且重要的风险路径。基于关键影响因素及因素间关联关系,对宝鸡市某U型厂房主体结构加固实例提出建议,为此类项目的改造施工提供理论依据。     

褐煤对苯酚的吸附性能及机制研究

酚类废水是一种有毒且排放量较大的有机废水,排放之前必须进行有效处理。以污染物苯酚为研究对象,褐煤为吸附剂,基于实验室小试,在正交试验的指导下,采用振荡平衡法研究了褐煤对苯酚的吸附效果,确定了褐煤用量、振荡吸附时间、温度、pH值对苯酚模拟废水吸附效果的影响。结果表明:在褐煤用量为10 g、振荡时间为1.5 h、温度为25℃、pH值为6的条件下,对100 mL质量浓度为100 mg/L的苯酚模拟废水处理效果最佳,苯酚的去除率可达70.86%。在最佳吸附条件下,一方面结合吸附苯酚前后褐煤比表面积及孔隙结构的变化进行分析,另一方面利用FT-IR对褐煤吸附苯酚前后表面官能团的变化进行了对比分析。褐煤内部孔隙发达,存在多类孔,以50 A以下的孔居多数,表明其微孔结构较复杂,且吸附行为致使孔隙面积缩小至近1/3,微孔减少明显,表明微孔对吸附过程影响很大;褐煤表面含有丰富的含氧官能团,为吸附苯酚提供了条件,在吸附苯酚的过程中物理吸附与化学吸附同时存在,褐煤主要表面宫能团—COOH、酚羟基及苯环结构骨架在化学吸附苯酚方面发挥着重要作用。这两方面从微观角度很好地解释了褐煤的吸附机理。     

Learning disability and leadership: Becoming an effective leader

This study investigates learning disability (LD) as an individual‐differences variable predicting leadership emergence, role occupancy, and effectiveness. We hypothesize that individuals with LD are less likely to occupy leadership roles, and that informal group processes (leadership emergence) will mediate the relationship between LD and leadership role occupancy. We also hypothesized that, among leaders promoted and selected for leadership training, there would be a negative relationship between LD and effective leadership. We first checked for LD in a sample of 1076 soldiers, measuring cognitive ability with a geometric‐analogies test as a control. Some months later, during the soldiers' basic training, we measured leadership emergence. We then identified those who were selected for leadership training, recording, and measuring their effectiveness according to supervisory and peer evaluations. Leadership emergence was found to mediate the negative relationship between LD and leadership role occupancy. There were no significant differences among leaders (n = 308) with and without LD in regard to leadership effectiveness. Copyright © 2013 John Wiley & Sons, Ltd.     

The use of footwear insulation values measured on a thermal foot model.

The use of physiological data from human tests in modelling should consider background data, such as activity, environmental factors and clothing insulation on the whole body. The present paper focuses on local thermal comfort of feet with special attention on the effects of physical changes of footwear thermal properties. An alternative test method is available for footwear thermal testing besides the standard method. The possibility to use insulation values acquired on a thermal foot model in practice is shown here. The paper describes the correlation between cold and pain sensations, and foot skin temperatures of the subjects and relates these to insulation measured on a thermal foot model. Recommendations are made for footwear choice according to environmental temperature.     

MNLR and ANN structural group contribution methods for predicting the flash point temperature of pure compounds in the transportation fuels range

A QSPR method is presented for predicting the flash point temperature (FPT) of pure compounds in the transportation fuels range. A structural group contribution method is used to determine the flash point temperature using two techniques: multivariable nonlinear regression and artificial neural networks. The method was used to probe the structural groups that have significant contribution to the overall FPT of pure compounds and arrive at the set of 37 atom-type structural groups that can best represent the flash point for about 375 substances. The input parameters to the model are the number of occurrence of each of the 37 structural groups in each molecule. The neural network method was the better of the two techniques and can predict the flash point of pure compounds merely from the knowledge of the molecular structure with an overall correlation coefficient of 0.996 and overall average and maximum errors of 1.12% and 6.62%, respectively. The results are compared to the more traditional approach of the SGC method along with other methods in the literature.     

Rheological and sensory properties of hydrophilic skin protection gels based on polyacrylates

Introduction. With the current increases in occupational skin diseases, literature data attesting the decreasing efficiency of barrier creams with respect to the manufacturer’s declarations and legal regulations granting skin protection gels for employees, research is required to analyse and evaluate the recipes used for hydrophilic skin protection gels based on polyacrylates. Methods. This study investigated the rheological properties, pH and sensory perception of hydrophilic barrier gels based on polyacrylates. Results. The acrylic acid derivatives used were good thickeners, and helped to form transparent gels of adequate durability. They could be used to create hydrophilic films on the surface of the skin to protect it against hydrophobic substances. A correlation was shown between the results of the rheological properties and the barrier properties of the gels. This confirms the possibility of monitoring the quality of the gels at the stage of recipe development. Conclusions. Polyacrylates are viable for use in industry to produce hydrophilic barrier creams suitable for skin protection.     

复合干粉灭火剂抑制食用油火的试验研究

为改善普通碳酸氢钠干粉灭火剂(BC干粉)抑制食用油火时抗复燃性较差的不足,选择聚磷酸铵、溴化钾和一水合草酸钾作为添加剂,与普通BC干粉灭火剂混合配制成复合干粉灭火剂。通过全尺度模拟试验研究各种复合粉体对食用油火的灭火效果及其抗复燃性能。结果证明,普通BC干粉与一水合草酸钾复配而成的复合粉体针对食用油火的灭火效果和抗复燃性能在几种粉体中最佳。根据试验数据和各粉体的理化特性,对4种粉体的灭火效果差异作了详细的分析和讨论。     

Influence evaluation of ionic liquids on the alteration of nitrification waste for thermal stability

Nitrification waste (NW) is the processed product of nitro compounds, flammable and explosive, and is prone to accidents due to thermal runaway. Ionic liquids (ILs) are widely used as flame retardants and have a good inhibitory effect. The effect of 1-butyl-3-methylimidazole hexafluorophosphate and 1-butyl-3-methylimidazole tetrafluoroborate as humectants on the thermal stability of NW was investigated in this paper. The microstructure and properties of the ionic liquid hybrid NW were first investigated using scanning electron microscopy. Secondly, thermogravimetric experiments were carried out on the ionic liquid mixed NW by thermogravimetric-infrared spectroscopy to analyze the decomposition law. Finally, six advanced linear regression thermokinetic models were used to calculate its apparent activation energy, pre-exponential factor, and other thermokinetic parameters, and the reaction model was simulated through multiple linear regression. The experimental research results in this paper can provide a reference for the storage and disposal of nitro compounds and their wastes.     

石墨烯电极电活化过硫酸盐降解含酚废水研究

以苯酚为目标污染物,利用石墨烯电极自身性质及电活化共同作用下活化过硫酸盐(PDS)产生氧化性自由基降解苯酚,对影响苯酚降解的因素(包括电流密度、初始pH值、PDS浓度及影响反应的主导自由基)进行探讨。通过系统中加入一定量的甲醇和叔丁醇作为自由基猝灭剂的猝灭试验确定降解过程中的主导自由基。结果表明,在未通电情况下石墨烯电极对苯酚也具有去除作用,可以吸附苯酚。在通电情况下,由于电活化和石墨烯活化的双重作用,相比于单一石墨烯体系和单一PDS体系,石墨烯/PDS体系对苯酚的降解率显著提高,在n(PDS)∶n (phenol)为50∶1、苯酚初始质量浓度为25mg/L、pH值为11、电流密度为30 mA/cm²的条件下,在90 min内苯酚的降解率可达98.91%。通过淬灭试验确定在石墨烯/PDS降解苯酚体系中以硫酸根自由基为主(SO₄^-·)、羟基自由基(·OH)为辅。综上所述,在未通电情况下,石墨烯可以利用自身吸附作用去除苯酚,在通电情况下,石墨烯电极利用自身性质以及电活化活化过硫酸盐,与单一PDS体系和单一石墨烯体系相比,有效提高了过硫酸盐的活化程度,提高了苯酚的降解率。