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.     

Preparation and evaluation of bis(diallyl alkyl tertiary ammonium salt) polymer as a promising adsorbent for phosphorus removal

Problems associated with water eutrophication due to high phosphorus concentrations and related environmentally safe solutions have attracted wide attention. A novel bis(diallyl alkyl tertiary ammonium salt) polymer, particularly poly(N~1,N~1,N~6,N~6-tetraallylhexane-1,6-diammonium dichloride)(PTAHDADC), was synthesized and characterized by Fourier transform infrared spectroscopy, nuclear magnetic resonance, scanning electron microscopy, mercury intrusion method, and thermogravimetric analysis. The adsorption characteristics in phosphorus were evaluated in dilute solution, and the recycling properties of PTAHDADC were investigated. Results showed that PTAHDADC possessed macropores with a size distribution ranging from 30 to 130 μm concentrating at 63 μm in diameter and had 46.52% of porosity, excellent thermal stability below 530 K, and insolubility. PTAHDADC could effectively remove phosphorus at p H = 7–11 and had a removal efficiency exceeding 98.4% at pH = 10–11. The adsorption equilibrium data of PTAHDADC for phosphorus accorded well with the Langmuir and pseudo-second-order kinetic models. Maximum adsorption capacity was 52.82 mg/g at 293 K. PTAHDADC adsorbed phosphorus rapidly and reached equilibrium within 90 min. Calculated activation energy Eawas 15.18 k J/mol. PTAHDADC presented an excellent recyclability with only 8.23% loss of removal efficiency after five adsorption–desorption cycles. The morphology and structure of PTAHDADC slightly changed as evidenced by the pre-and post-adsorption of phosphorus, but the process was accompanied by the partial deprotonation of the(–CH_2)_3-NH~+ group of PTAHDADC. The adsorption was a spontaneous exothermic process driven by entropy through physisorption, electrostatic attraction, and ion exchange. Survey results showed that PTAHDADC was a highly efficient and fast-adsorbing phosphorus-removal material prospective in treating wastewater.     

酚类化合物抑制斜生栅藻生长的毒性效应

本文运用评价化学品对藻类毒性的标准实验方法，得出苯酚，邻氯苯酚、２，４－二氯苯酚和五氯酚抑制斜生栅藻生长的９６ｈ－ＥＣ５０分别为３４１．８５，２５和１．５ｍｇ·１＾－１，实验结果表明，在３００，３５０和４００ｍｇ·ｌ＾－１三种本酚初始浓度下，斜生栅藻都不具备降解苯酚的能力，即使在培养基中基本没有无机碳源的情况下，斜生栅藻仍不具备降解苯酚的能力。     

Impact of soil management practices on yield,fruit quality,and antioxidant contents of pepper at four stages of fruit development

Peppers, a significant component of the human diet in many regions of the world, provide vitamins A (β-carotene) and C, and are also a source of many other antioxidants such as capsaicin, dihydrocapsaicin, and phenols. Enhancing the concentration of antioxidants in plants grown in soil amended with recycled waste has not been completely investigated. Changes in pepper antioxidant content in relation to soil amendments and fruit development were investigated. The main objectives of this investigation were to: (i) quantify concentrations of capsaicin, dihydrocapsaicin, β-carotene, ascorbic acid, phenols, and soluble sugars in the fruits of Capsicum annuum L. (cv. Xcatic) grown under four soil management practices: yard waste (YW), sewage sludge (SS), chicken manure (CM), and no-much (NM) bare soil and (ii) monitor antioxidant concentrations in fruits of plants grown under these practices and during fruit ripening from green into red mature fruits. Total marketable pepper yield was increased by 34% and 15% in SS and CM treatments, respectively, compared to NM bare soil; whereas, the number of culls (fruits that fail to meet the requirements of foregoing grades) was lower in YW compared to SS and CM treatments. Regardless of fruit color, pepper fruits from YW amended soil contained the greatest concentrations of capsaicin and dihydrocapsaicin. When different colored pepper fruits (green, yellow, orange, and red) were analyzed, orange and red contained the greatest β-carotene and sugar contents; whereas, green fruits contained the greatest concentrations of total phenols and ascorbic acid.     

提高IACHAT流动注射仪测定挥发酚分析效率的探讨

流动注射分析已广泛应刚于农业、工业、环境科学和临床检测等多种领域。但对于反应复杂的项目，其单位分析时间较长，造成批量分析时间过长，效率低下。以挥发酚项目分析为例进行探索试验，将LACHATQuckChem8000流动注射仪的周期时间由原来设置的400S修改为200S，方法的精密度、准确度、检出限无显著性差异，大幅度缩短分析时间，提高工作效率。     

Monitoring transport of selected pesticides and phenols in soil columns by high performance liquid chromatography

Abstract

Soil columns were used to study pesticides and phenols transport under rapid infiltration land treatment conditions. An analytical procedure is described for the quantitative determination of atrazine, diuron, carbofuran, phenol, 2,4‐dinitrophenol, 2,4‐dimethylphenol, and 2,4‐dichlorophenol in soil and wastewater. Recoveries of all analytes were greater than 90%. The method detection limits for all analytes were ≤0.03 μg/ml (s/n=4) in wastewater and ≤ 0.1 μg/ml (s/n=5) in soil.     

室内空气中甲醛、苯系物的污染特征分析

选取百户新装修居室进行室内空气中甲醛、苯系物的监测,发现新装修居室中甲醛污染严重,超标率达80%,近1/3超标2倍以上;苯系物中以甲苯、二甲苯的污染为主要特征,超标率分别为10%,23%,苯污染不显著,3种苯系物经SPSS13.0统计学分析在0.05水平显著相关,具有同源性。另选取4户装修居室进行甲醛、苯系物浓度随时间的变化规律研究发现,甲醛、苯系物浓度都随时间呈逐步下降趋势,在装修后的前3个月释放速率最快,而后趋于平缓。甲醛释放具有长期性,并通过理论推断和具体实验获得同一结论;苯系物在装修3个月后基本释放完全,严重污染的约需6个月。对于实验过程中温度、湿度、材料种类和负载量以及空气交换率等影响因素进行了分析,说明以保证实验结果的可靠性。     

对4-氨基安替比林萃取光度法测定水中挥发性酚类方法的探讨

对标准方法进行了改进,并对方法的线性和精密度、准确度进行了讨论。试验结果表明,该法具有节约水电、节省时间、降低试剂消耗等优点。     

影响挥发酚测定因素的探讨

本文对普遍采用的4-氨基安替比林萃取分光光度法测定饮用水中挥发酚的多种影响因素进行了探讨，获得的结果对饮用水中挥发酚的准确测定有较好的实用性。     

Formation of chloroarenes upon gas-phase pyrolysis and slow combustion of benzene-HCl mixtures

Pyrolysis (800–900°C, ca. 5 s) of benzene/HC1 mixtures leads to chlorobenzene (1) even in a reducing environment of H₂ and/or CH₄. With added oxygen, 1 is formed even at 550°C; such slow combustions also yield chlorinated phenols and dibenzofurans.