p,p'-DDE与雄激素受体突变体H874Y及T877A激动性作用机制的理论研究

1,1-二氯-2,2-双(对氯苯基)乙烯(p,p'-DDE)是一种已知的雄激素受体(androgen receptor,AR)拮抗剂。有趣的是,已有研究证实p,p'-DDE同时可经由作用于AR的2种天然突变体H874Y和T877A产生拟雄激素效应,但其相互作用的分子机制尚不清晰。本研究联用分子动力学模拟与MM-GBSA方法,以内源性激素二氢睾酮(DHT)作为对照,对p,p'-DDE与2种突变体的相互作用分子机制进行了研究。模拟结果指出范德华相互作用是维持p,p'-DDE与AR突变体结合的主要驱动力,而溶剂化作用的差异是导致p,p'-DDE与H874Y具有较高结合活性的主要原因,H874Y结合口袋与p,p'-DDE的结构匹配度优于与T877A。与内源性配体二氢睾酮相比较,范德华作用与静电相互作用的差异是造成p,p'-DDE比DHT结合活性低的主要原因,p,p'-DDE与AR突变体之间缺乏氢键的稳定。MM-GBSA的结果确定p,p'-DDE与突变体结合过程的关键氨基酸以疏水性残基为主,其中L704、M745、L873尤为重要。计算获得的p,p'-DDE对H874Y及T877A相互作用分子机制有助于理解该污染物在不同人群中内分泌干扰效应的差异。     

Formation of disinfection byproducts from accumulated soluble products of oleaginous microalga after chlorination

When microalgae are simultaneously applied for wastewater treatment and lipid production, soluble algal products (SAP) should be paid much attention, as they are important precursors for formation of disinfection byproducts (DBPs), which have potential risks for human health. Chlorella sp. HQ is an oleaginous microalga that can generate SAP during growth, especially in the exponential phase. This study investigated the contribution of SAP from Chlorella sp. HQ to DBP formation after chlorination. The predominant DBP precursors from SAP were identified with the 3D excitation-emission matrix fluorescence. After chlorination, a significant reduction was observed in the fluorescence intensity of five specific fluorescence regions, particularly aromatic proteins and soluble microbial by-product-like regions, accompanied with slight shifting of the peak. The produced DBPs were demonstrated to include trihalomethanes and haloacetic acids. As the algal cultivation time was extended in wastewater, the accumulated SAP strengthened the formation of DBPs. The trend for DBP formation was as follows: chloroform>dichloroacetic acid>trichloroacetic acid.

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P(AM-DMDAAC-VAM)共聚物的合成及其絮凝性能

以丙烯酰胺(AM)、二甲基二烯丙基氯化铵(DMDAAC)、乙酸乙烯酯(VAM)为单体,采用水溶液自由基胶束共聚合法合成了疏水缔合阳离子型共聚物P(AM-DMDAAC-VAM),并对其进行了红外光谱和核磁共振氢谱表征。实验结果表明:在P(AM-DMDAAC-VAM)加入量为14 mg/L、絮凝温度为30~60℃、硅藻土悬浊液pH为8~11时,P(AM-DMDAAC-VAM)对硅藻土悬浊液的絮凝效果最好,上清液透光率高达97.5%。     

Potential toxicity of amphenicol antibiotic: binding of chloramphenicol to human serum albumin

Antibiotics are widely used in daily life but their abuse has posed a potential threat to human health. To evaluate the toxicity of chloramphenicol (CAP) at the protein level, the interaction between CAP and human serum albumin (HSA) was investigated by fluorescence, Ultraviolet–visible (UV–Vis) absorption, Fourier transform infrared (FT-IR) spectroscopy and molecular docking methods. Fluorescence data revealed that the fluorescence quenching of HSA by CAP was the result of the formation of CAP–HSA complex, and the binding constant was determined to be 3.196?×?10⁴ L mol^?1 at 310 K. The thermodynamic determination indicated that the interaction was driven by enthalpy change and entropy change together, where the multiple hydrogen bonds (CAP and the residues Arg 222 and His 242 of HSA) and van der Waals forces were the dominant binding force. The site marker competition revealed that CAP bound into sub-domain IIA of HSA. The binding of CAP induced the drastic reduction in α-helix conformation and the significant enhancement in β-sheet conformation of HSA. Molecular docking study further confirmed the binding mode obtained by experimental study. This work provides a new quantitative evaluation method for antibiotics to cause the protein damage.     

磷酸微波活化多孔生物质炭对亚甲基蓝的吸附特性

以甘蔗渣为原料,采用微波辅助H3PO4活化法制备富含含氧酸官能团的中孔生物质炭。通过扫描电子显微镜SEM、傅立叶变换红外光谱FT-IR等技术对生物质炭物理化学性质进行表征,并通过静态实验法,探讨炭样对亚甲基蓝的吸附行为及热力学性质。结果表明,H3PO4活化制备蔗渣生物质炭的适宜条件为浸渍比1：1,烘干时间10h,活化功率900W,活化时间22min,在此条件下制得的生物质炭得率为39．2％,碘值为817mg／g,亚甲基蓝值为229mg／g,为国家一级品标准的1．7倍。红外光谱分析表明,炭样表面以羟基、羰基、羧基等酸性官能团为主。静态吸附实验表明,Freundlich方程与Redlich—Peterson方程能较好地描述等温吸附行为,表现为优惠吸附。热力学研究表明,吸附吉布斯自由能（△G0）〈0,说明吸附反应是自发过程,而吸附标准焓变（△H0）〉70KJ／mol,表明亚甲基蓝在制备炭样上的吸附是吸热反应,升温有利于吸附,且化学反应在吸附过程中发挥了重要作用。     

基于生态位理论的京津冀城市生态文明评价

生态文明评价体系是明确生态文明建设现状、定位生态文明建设存在问题的关键。从城市群视角出发引入生态位理论,界定生态文明位内涵,构建涵盖社会子系统生态位—经济子系统生态位—资源环境子系统生态位共29项指标的城市生态文明评价指标体系,并提出相对生态文明位和生态经济指数的二维模型,测算京津冀城市群6个案例城市在2007—2011年的生态文明建设水平、趋势以及地位。结果显示,2011年北京生态文明水平(相对生态文明位)最高,邢台生态文明水平最低,石家庄、秦皇岛、承德、天津生态文明水平分别排名第2、第3、第4、第5。2007—2011年,北京、承德、邢台生态文明水平呈现波动下降趋势,而秦皇岛、石家庄、天津呈现小幅上升趋势;但生态经济指数测算显示,北京的经济社会发展对于生态资源环境的占用消耗大,承德有较好的经济发展潜力。并基于该二维模型,将京津冀城市生态文明建设分为4种类型:发展失衡型、相对和谐型、高质量发展型、资源环境优势型,分别确定城市生态文明建设重点,为京津冀协同发展提供了指导依据。     

Comparative quantification of oxygen release by wetland plants: electrode technique and oxygen consumption model

Understanding oxygen release by plants is important to the design of constructed wetlands for wastewater treatment. Lab-scale systems planted with Phragmites australis were studied to evaluate the amount of oxygen release by plants using electrode techniques and oxygen consumption model. Oxygen release rate (0.14 g O₂/m²/day) measured using electrode techniques was much lower than that (3.94–25.20 gO₂/m²/day) calculated using the oxygen consumption model. The results revealed that oxygen release by plants was significantly influenced by the oxygen demand for the degradation of pollutants, and the oxygen release rate increased with the rising of the concentration of degradable materials in the solution. The summary of the methods in qualifying oxygen release by wetland plants demonstrated that variations existed among different measuring methods and even in the same measuring approach. The results would be helpful for understanding the contribution of plants in constructed wetlands toward actual wastewater treatment.     

厌氧系统中碱处理对污泥减量的影响

碱解预处理污泥和原污泥按一定比例进行混合后,投入厌氧反应器中进行消化,研究其对污泥减量化的影响。结果表明,该处理既可以提高污泥减量率,又能改善污泥厌氧消化性能,提高污泥产气量。当碱处理污泥和原污泥混合比为1∶3时,在混合初期由于稀释作用和水解中和作用,溶液的pH能迅速恢复到中性。SS减少48%,较对照组提高了10%;SCOD减少约80%,较对照组提高20%,而空白对照组因未发生溶胞作用,各参数值均处于较低水平,降解率也维持在较低水平。     

石墨气体扩散电极的制备与性能优化

电极的制备工艺及参数直接影响电极材料的活性。主要考察了C/PTFE质量比、碾压压力、煅烧温度、造孔剂NH4HCO3及稀土掺杂等因素对电极产出H2O2的影响规律。研究结果表明,电极最佳制备条件为:石墨和PTFE质量比为2∶1、石墨、造孔剂和稀土元素质量比为6∶1∶1、碾压压力10 MPa、煅烧温度330℃。在pH=3、电解质Na2SO4浓度为0.05mol/L条件下,电解2 h后,改性电极产生的H2O2从95 mg/L提高到350 mg/L,提高了268.4%。     

酸性洗涤塔-生物滤塔-生物曝气池组合工艺处理恶臭气体NH3和H2S

采用酸性洗涤塔、生物滤塔和生物曝气池的组合工艺处理NH3、H2S恶臭混合气体,研究表明,该组合工艺对NH3和H2S有很好的去除效果,在进气流量为35 L/min,喷淋量45 L/h时,NH3进气浓度50.15~525.4 mg/m3,H2S进气浓度10.23~110.36 mg/m3时,NH3单一进气去除率稳定在99%以上,H2S单一进气去除率90%以上。混合进气后,NH3去除率几乎为100%,H2S的去除率提高至98%以上。在一定的浓度范围内,NH3和H2S之间的相互作用对两者的去除效果没有明显的影响,而且起到了相互促进降解的作用。同时,进气流量和填料层高度都会影响NH3、H2S的去除率。系统对进气容积负荷变化的缓冲能力强,在偶尔超负荷条件下运行并不能使系统崩溃,并且微生物对高负荷逐渐表现出适应性。大部分溶于水的氨由生物曝气池去除,去除率达到96.9%。