一个新的拓扑指数用于芳烃化合物溶解度、分配系数及生物毒性的研究

在分子拓扑理论的基础上,提出了一个新的拓扑指数Yx,并用Yx研究了芳烃化合物的溶解度、分配系数及生物毒(活）性,给出了相关方程。结果表明,新方法计算方便,物理意义明确,预测值与相应的实验值较吻合。     

阳离子表面活性剂十六烷基三甲基溴化铵对酞酸酯类化合物增溶性研究

用阳离子表面活性剂十六烷基三甲基溴化铵对六种酞酸酯类化合物(五种脂肪链酞酸酯和一种苯基酞酸酯)进行了增溶性实验．结果表明,在表观浓度(Ｃｓ)小于临界胶速浓度(ＣＭＣ)时,十六烷基三甲基溴化铵对四种酞酸酯(ＤＭＰ和ＤＰｈＰ除外)有一定程度的增溶作用;当Ｃｓ大于ＣＭＣ时,对六种化合物的增溶性显著增强．其增溶性(Ｓｔ/Ｓｗ)随Ｃｓ增大而线性递增:当Ｃｓ＜ＣＭＣ时,Ｓｔ/Ｓｗ＝ａ＋Ｋｍｎ·Ｃｓ,ｒ＞０．９０,ｎ＝５;当Ｃｓ＞ＣＭＣ时,Ｓｔ/Ｓｗ＝ａ＋Ｋｍｃ·Ｃｓ,ｒ＞０．９９,ｎ＝５． 各化合物增溶系数随各自固有水溶性(Ｓｗ)减小而增大(苯基酞酸酯有所反常),ｌｇＫｍｎ和ｌｇＫｍｃ与各自ｌｇｌ/Ｓｗ具有良好的线性正相关性．本文进一步对增溶机理进行了分析解释．     

苯甲酰苯胺类化合物溶解度和分配系数的测定及定量结构—性质相关研究

本文采用摇瓶法测定了１４各甲酰苯胺类化合物的溶解度及正辛醇／水分配系数,二者之间具有较好的相关性,应用线性溶剂化相关方法获得的相关方程,能更好地预测测苯甲酰苯胺类化合物的的水溶解度和正辛醇／水分配系数。     

生化需氧量测定的方法改进

生化需氧量测定中接种液的制备和稀释倍数的确定是2个关键的步骤,本文提出一种可行的制备接种液的方法,根据实践经验,总结出一种稀释倍数计算方法,适合在实际分析中使用。     

纳米光催化氧化测定不同水体化学需氧量的研究

采用简便的沉淀法制备的纳米氧化锌为光催化荆,重铬酸钾为光生电子接受体,研究了纳米氧化锌-重铬酸钾体系测定COD的方法.COD值在1～100mg/L之间有良好的线性关系,线性方程为y=0.0007χ 0.0069,相关系数为r=0.9992,检测限为0.66mg,L.采用本方法和CODM.国标法对不同水体样品进行比较测定发现,对低COD值样品本方法加标回收率在96.3%～100.6%之间,变异系数Cv%=1.1～3.4,准确度和精密度均优于CODMn国标法,弥补了低COD值样品国标法(CODmn)测定不准确的不足,且单个样品测定时间短,具有推广应用价值.     

富氧空位/梯次结构CeO2的制备及光催化CO2还原

采用Ce-BTC(均苯三甲酸)为模板,通过尿素溶液浸渍合成了具有富氧空位/梯次结构的CeO₂催化剂,并用X射线衍射(XRD)、扫描电子显微镜(SEM)、透射电子显微镜(TEM)、拉曼光谱(Raman)和紫外可见漫反射(DRS)等手段对其进行了表征.结果表明,与金属有机框架(MOFs)浸渍尿素高温煅烧可以获得金属氧化物/g-C₃N₄复合材料不同,Ce-BTC/尿素体系煅烧后产品中未检测到g-C₃N₄,这可能与CeO₂的存在抑制了尿素分解产物的热缩聚过程,影响了g-C₃N₄的生成有关,但尿素的引入改变了Ce-BTC煅烧产物CeO₂的氧空位浓度,且获得梯次结构.将具有富氧空位/梯次结构的CeO₂-5用于光催化CO₂还原,催化结果表明:反应4h的CO产率可达2.06μmol/g,CH₄产率可达1.42μmol/g,性能是Ce-BTC未...     

Lipid peroxidation in the presence of iron oxides

Exposure to iron oxides dusts may lead to lung cancers among exposed population. To evaluate the involvement of iron‐containing particles in lipid peroxidation by production of reactive oxygen species, hematite, magnetite (iron oxides), and crocidolite (asbestos compound) were tested. The peroxidation was followed by the evaluation of some degradation products of lino‐lenic acid. In a buffered medium, magnetite is higher active than hematite. The addition of an iron chelator (EDTA) or of a reducing agent (ascorbate) in this medium enhances the activity of hematite and magnetite, and the combination of both EDTA and ascorbate increases their activity. Crocidolite is the most active whatever the medium. The appearance of the EDTA‐iron‐oxygen complexes related to the reactivity of these oxides is postulated. These results suggest that the oxidizing activity triggered by hematite and magnetite, in a medium containing an iron chelator and a reducing agent, may lead to damages in biological medium.     

Transfer of pesticides to the brew during mate drinking process and their relationship with physicochemical properties

In order to evaluate the extraction of pesticide residues that are transferred to the brew during mate drinking process of P.U.1 yerba mate leaves (Ilex paraguariensis), a special device to simulate the way in which mate is drunk in Uruguay was developed. The transfer to the brew of 12 organophosphates, 5 synthethic pyrethroids and one organochlorine pesticide from spiked samples was studied. The relationship between the transfer data thus obtained and physicochemical properties like water solubility (Ws), octanol-water coefficient (Kow) and Henry's constant (H) was evaluated. The extractability of the pesticide residues from yerba mate can be correlated with log Ws and log Kow. These transfer values allowed the calculation of ARLs (acceptable residue level) for the pesticides following Food and Agriculture Organization (FAO), World Health Organizaion (WHO) guidelines. These results can help the future establishment of maximum residue levels (MRLs)     

LOW-HEAD HYDROPOWER IMPACTS ON STREAM DISSOLVED OXYGEN1

ABSTRACT: A method to evaluate the effect of hydropower development on downstream dissolved oxygen (DO) is presented for a low head dam. Water, previously aerated during release over spillways and under gates, is diverted through the hydropower facility without further aeration. The oxygen transfer that occurs as a result of air entrainment at the various release points of a dam is measured. Oxygen transfer efficiencies are calculated and incorporated into an oxygen transfer model to predict average release DO concentrations. This model is used to systematically determine the effect of hydropower operation on downstream DO. Operational alternatives are investigated and a simple operational guide is developed to mitigate the effects of hydropower operation. Combinations of reduced generation and optimal releases from the dam allow the hydropower facility to operate within DO standards.     

Model simulations of dissolved oxygen characteristics of Minnesota lakes: Past and future

A deterministic, one-dimensional, unsteady numerical model has been developed, tested, and applied to simulate mean daily dissolved oxygen (DO) characteristics in 27 lake classes in the state of Minnesota. Reaeration and photosynthesis are the oxygen sources, while respiration, sedimentary, and biochemical water column oxygen demand are the sinks of oxygen in the model. The lake classes are differentiated by surface area (A _s), maximum depth (H _max), and trophic status expressed as Secchi depth (Z _s). Because lake stratification is most important to lake oxygen dynamics, simulated DO characteristics are plotted in terms of a stratification parameterA _s/H _max ^0.25 and Secchi depthZ _s. Simulations provide DO profiles on a daily time scale. Specific DO characteristics of ecological and environmental interest are epilimnetic DO, hypolimnetic DO, DO gradient from surface to bottom, and DO minima and maxima. Specific results are as follows: Simulated mean daily and weekly DO values in the epilimnion of all lakes for both past and future climate scenarios are near saturation over the summer season. Hypolimnetic DO values depend strongly on lake morphometry, trophic status, and time throughout the summer season. Future climate conditions are specified as the historical records from 1955 to 1979, adjusted (monthly) by the 2 × CO₂ GISS model output to account for doubling of atmospheric CO₂. With this climate change, weekly averaged epilimnetic DO is projected to drop by less than 2 mg/liter, and will remain above 7 mg/liter throughout the open water season. The hypolimnetic DO reductions after climate change are on the order of 2–8 mg/liter. Periods of anoxia are longer by as much as 80 days. Those changes would alter water quality dynamics in lakes and have a profound effect on lake ecosystems including indigenous fishes. The results presented are useful for evaluating environmental management options.