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581.
582.
雌激素受体(Estrogen Receptor,ER)ERα和ERβ能与雌激素特异性结合,它们在结构上的差异性可能影响与类雌激素的相互作用,这进而会影响其功能.因此,针对10种有机磷农药对ERα和ERβ的雌激素效应差异,采用分子对接方法比较分析了它们与ERα、ERβ相互作用的差异并筛选出与ERα和ERβ相互作用的最佳结合模式.结果发现,10种有机磷农药分子与ERα配体结合域(Ligand Binding Domain,LBD)精氨酸(Arg394)、赖氨酸(Lys449)、色氨酸(Trp393)形成氢键;而部分农药分子与ERβLBD精氨酸(Arg346)、亮氨酸(Leu343)、赖氨酸(Lys401)形成氢键.有机磷农药配体与ERαLBDArg394、Lys449、苯丙氨酸(Phe445)、脯氨酸(Pro324)、Leu387、谷氨酸(Glu353)、甘氨酸(Gly390)等存在疏水作用,与ERβLBD氨基酸Arg346、Glu305、Leu343、蛋氨酸(Met336)、组氨酸(His279)、丙氨酸(Ala302)等存在疏水作用.采用量子化学从头算进一步分析了10种有机磷农药分子表面静电势的差异.研究发现,有机磷农药分子与ERα和ERβ受体不同的相互作用是导致雌激素效应差异的重要原因. 相似文献
583.
José Gianottp Guillermo Stettler Ernesto Haggp Adriana Pajares Sonia G. Bertolotti Norman A. García 《毒物与环境化学》2013,95(3-4):461-470
Nonylphenol (nonyl‐P) belongs to the classification of persistent organic pollutants. In this work we demonstrate that the contaminant suffers photooxygenation when exposed to visible light Eosin‐photosensitized irradiation. The mechanism was identified as a singlet molecular oxygen‐mediated photooxidation. Rate constants for the process, determined by time‐resolved phosphorescence detection of singlet molecular oxygen, are in the range 105‐107 M‐1 s‐1, depending on the characteristics of the reaction medium. The photooxidative process is more efficient when performed in highly polar alkaline medium. The aggregation of nonyl‐P molecules in pure water decreases the rates of sensitized photooxidation of nonyl‐P and also those of polychlorophenolic contaminants, employed as photooxidizable model compounds, when photolyzed in the presence of nonylphenol. These results are discussed in terms of a micellar effect. 相似文献
584.
The changes promoted by treatment of a highly polluted soil with sulphuric acid or calcium hydroxide for changing its pH value are studied by controlling physical properties (particle size, TGA and DTA curves), evolution of metal species (exchangeable, as carbonates, related to Fe‐Mn oxides, linked to organic matter and residual) and metal uptake by plant cultures. Metal contents were determined, after wet digestion with HF—HNO3—HC1O4 when necessary, by AAS (Ca, Mg, Cu, Pb, Mn, Fe, Zn) or emission (Na, K). The treatment of soil with successive amounts of sulphuric leads to changes in particle size, hydration properties and exothermic peak for organic matter combustion. Very small changes were, however, detected in the alkaline treatment of soil. Soil treatments do not have practical influence on speciation of some metals (Na, K, Mg, Pb, Mn, Fe), but the intensity of the acid treatment leads to both an increase in the Cu extraction and a decrease in the Ca solubilization, probably through gypsum formation. In the case of zinc a maximum solubility in the middle of the range of acid treatment was observed. The comparison among extractants shows solubilities high for two pollutants (Pb, Cu), associated mainly to Fe—Mn oxides and organic matter, and low for two macrocomponents (Fe, K). The rest of metals, basically present in soil as carbonates or oxides, have intermediate extractions. Pot cultures weights depended mainly on both the treatment of soil (poor development in the more acid sample and drainage difficulties in the rest of acid treatments) and the situation (very low weights in laboratory runs as compared with outside), but the irrigation with water or a diluted sulphuric acid solution (at pH = 4.0) did not produce significant weight changes. Tendencies to increase plant pollution were observed for smaller soil pH, acid irrigation and probably for outside cultures, due to uptake by leaves. 相似文献
585.
厌氧颗粒污泥胞外聚合物的影响因素研究 总被引:3,自引:0,他引:3
为明确厌氧颗粒污泥胞外聚合物产生的影响机制,通过改变pH、污泥负荷(Ns)和C/N比,研究厌氧颗粒污泥及其上清液的EPS(胞外聚合物)产生量及组分多糖、蛋白质的变化情况,采用红外光谱对比分析了pH、Ns、C/N比对EPS分子结构的影响;结果表明,过酸、过碱和不适当的C/N比不利于厌氧颗粒污泥形态保持和微生物生长,但Ns对厌氧颗粒污泥形态的影响不大。红外光谱分析表明,蛋白质肽键在强酸、强碱条件下均发生了变化,羧基、醇和酚则在强酸条件下(pH 3)消失,C/N比和污泥负荷对EPS的分子结构影响不大。 相似文献
586.
环境分子诊断技术(EMDSs)是有机单体同位素分析和各种分子生物学技术的总称,将其应用于污染场地特征识别、修复方案可行性评估、监测和修复终止等污染场地环境管理过程中,探明土壤和地下水中污染物生物和非生物降解过程、降解速率及机制,确定不同污染来源,可弥补传统污染场地环境管理方法的不足,具有广阔的发展前景。文章综述了污染场地环境管理过程及传统方法的不足,介绍了有机单体同位素分析和各种分子生物学技术的基本原理和用途,并对各种技术的特点进行阐述和对比;介绍了EMDSs在污染场地环境管理中的实际应用,提出了EMDSs的发展趋势。 相似文献
587.
588.
多溴联苯醚(PBDEs)是应用广泛的溴代阻燃剂,其中2,2',4,4'-四溴联苯醚(BDE-47)和2,2',3,3',4,4',5,5',6,6'-十溴联苯醚(BDE-209)广泛存在于环境中。PBDEs具有神经毒性,但其致毒机制尚不明确。本文通过研究BDE-47与BDE-209对乙酰胆碱酯酶(AChE)活性的影响及二者与AChE相互作用的光谱分析,揭示BDE-47与BDE-209导致神经毒性的致毒机制。BDE-47和BDE-209在一定浓度范围内均能够抑制AChE分解乙酰胆碱;随着浓度的增加,两者的抑制率均呈现出先增加后降低的规律。BDE-47浓度为400μmol·L-1时抑制率达到最大,为22.3%;BDE-209浓度为200μmol·L-1时抑制率达到最大,为11.2%。相同浓度下,BDE-47对AChE的抑制率始终大于BDE-209,表明AChE对BDE-47更加敏感。荧光光谱分析结果表明BDE-47和BDE-209与AChE之间的相互作用均主要为疏水作用,同时不存在范德华引力作用;BDE-47与AChE的结合常数大于BDE-209与AChE的结合常数,表明BDE-47更易与AChE相互作用。此外,温度的升高不利于BDE-47和BDE-209与AChE之间相互作用。BDE-47和BDE-209抑制AChE活性很可能是导致神经毒性通路之一。 相似文献
589.
以TiCl_4为钛源、Fe(NO_3)3·9H_2O为铁源,采用分子自组装法在活性炭表面制备了不同复合顺序的TiO_2-FeOOH复合材料,研究了其对甲基橙的吸附和光催化性能。实验结果表明,TiO_2-FeOOH复合材料由锐钛矿TiO_2和α-针铁矿复合层组成,并呈直径为200~300 nm的三维花状多级结构,这种独特的多级结构有利于实现吸附与光催化的协同作用。UV-Vis吸收光谱显示TiO_2与FeOOH的复合减小了TiO_2的禁带宽度,但TiO_2/FeOOH/AC、TiO_2/FeOOH/AC和TiO_2/AC对质量浓度为10 mg/L的甲基橙溶液处理6 h后,溶液脱色率分别为78.8%,33.9%,57.5%,表明复合顺序对TiO_2-FeOOH复合材料的界面电子传递过程及光催化性能有重大影响。 相似文献
590.
The scarcity of fossil fuels has urged the economically developed countries to find the resources for an alternative energy sources. In apprehension to this, biofuels, like bioethanol and biobutanol, produced from lignocellulosic biomass were considered as potential alternative. There are several methods for the pretreatment of biomass before it is being used as a feedstock for the production of fermentable sugars. However, one of the crucial concerns here is to enumerate an economic pretreatment scheme that can be implemented in large scale for the production of mostly exposed cellulosic part from biomass. This will ensure an effective hydrolysis of cellulose for the production of fermentable sugars and the production of biobutanol from these derived sugars. Moreover, the keynote understanding of an effective fermentation is the production of less inhibitory compounds like furfural, hydroxymethyl furfural during the hydrolysis of cellulose. Enzymatic hydrolysis of cellulose was reported as the most efficient method is this aspect. Trichoderma sp. was found the mostly used resources for the enzyme called cellulase and Aspergillus sp. for hemicellulase enzymes. The most crucial part here is the isolation of proper enzyme that will increase the rate of hydrolysis. Moreover, selection of proper pretreatment process will be a key benefit to the production of fermentable sugars through enzymatic hydrolysis. Based on the biomass nature, the evaluated hot water pretreatment followed by enzymatic hydrolysis with a provision of enzyme reusability (like encapsulated or enzyme separation with membrane) seems to be promising for enhanced biofuel-production. 相似文献