A novel approach to predict aquatic toxicity from molecular structure

The main aim of the study was to develop quantitative structure-activity relationship (QSAR) models for the prediction of aquatic toxicity using atom-based non-stochastic and stochastic linear indices. The used dataset consist of 392 benzene derivatives, separated into training and test sets, for which toxicity data to the ciliate Tetrahymena pyriformis were available. Using multiple linear regression, two statistically significant QSAR models were obtained with non-stochastic (R2=0.791 and s=0.344) and stochastic (R2=0.799 and s=0.343) linear indices. A leave-one-out (LOO) cross-validation procedure was carried out achieving values of q2=0.781 (scv=0.348) and q2=0.786 (scv=0.350), respectively. In addition, a validation through an external test set was performed, which yields significant values of Rpred2 of 0.762 and 0.797. A brief study of the influence of the statistical outliers in QSAR's model development was also carried out. Finally, our method was compared with other approaches implemented in the Dragon software achieving better results. The non-stochastic and stochastic linear indices appear to provide an interesting alternative to costly and time-consuming experiments for determining toxicity.     

抑制斑点噪声的SAR与多光谱图像融合方法

通过将主成分变换与IHS变换相结合,避免了会导致SAR信息量损失的滤波过程,实现了一种可降低SAR斑点噪声影响的遥感影像融合算法。与主成分变换融合方法、IHS变换融合方法在主观视觉效果分析和客观统计参数两方面进行比较,新方法不仅很好地保留了多光谱影像的光谱信息,增强了结果影像的空间细节表现能力,而且有效地抑制了SAR斑点噪声,提高了结果影像的信息量与清晰度。     

垂直面绿化植物遮阳系数与叶面积指数研究

比较、分析了农业研究中提出的叶面积指数LAI与用于建筑节能领域的垂直面绿化植物叶片遮阳系数SCPVW两个概念的异同和各自的应用范围。指出城市绿化采用水平或垂直绿化方式时,由于下垫面差异,植物叶片的遮阳系数应当分别采用LAI和SCPVW进行计算。     

Efficient microwave degradation of humic acids in water using persulfate and activated carbon

Environmental Chemistry Letters - Humic acids are complex mixtures of organic molecules of different sizes, molecular weights and functional groups such as phenols, carboxyls, quinones and amino...     

长三角典型城市公交车实际道路细颗粒物排放测试

为研究长三角典型城市公交车细颗粒物排放特征,采用便携式排放测试系统（PEMS）,对上海、杭州和苏州三大城市的8辆典型城市公交车开展实际道路细颗粒物排放实验。研究结果表明：长三角典型城市车辆的实际道路平均车速为22.7 km/h,怠速比例为20.4%,加减速比例为54.5%;在稳态行驶工况下,随车速增大,公交车颗粒物质量及数量排放呈逐渐增大趋势;在20 km/h车速范围内,上海国III、国IV和苏州国III公交车颗粒数浓度呈双峰粒径分布,其他公交车均为单峰分布;随比功率的增大,公交车颗粒质量呈逐渐增大的趋势,国IV公交车颗粒数量呈先下降再增大趋势,国III公交车颗粒数量呈上升趋势;公交车颗粒质量综合排放因子为0.8~189 mg/km,颗粒数量综合排放因子为6.2×10¹²~9.6×10¹⁴#/km。     

Determination of 16 polycyclic aromatic hydrocarbons in water using fluorinated polyaniline-based solid-phase microextraction coupled with gas chromatography

The study on the performance of a fluorinated polyaniline (PANI) as a fiber coating for solid-phase microextraction (SPME) had been reported and 16 polycyclic aromatic hydrocarbons (PAHs) were selected to evaluate the performance of this fiber. Various parameters including sample volume, extraction temperature, time of desorption and extraction, pH and ionic strength were investigated intensively. A direct comparison between PANI-SPME fiber and commercial fiber was conducted. The results showed that the PANI-SPME coating had high affinity towards target compounds and the proposed method was successfully applied for the detection of real samples: rainfall and Taihu Lake water collected from Southern China. The whole PANI-SPME-GC method offers acceptable accuracy, precision and sensitivity and low detection limits, which is applicable to monitor trace levels of PAHs in real water bodies.     

Baseline values for metals in soils on Fildes Peninsula, King George Island, Antarctica: the extent of anthropogenic pollution

Metal contents (Al, Ca, Cd, Cr, Cu, Fe, Hg, Mg, Mn, Ni, Pb, Ti, and Zn) have been measured in 30 surface soils on Fildes Peninsula, King George Island, Antarctica, yielding values (in milligrams kilogram(-1)) of 41.57-80.65 (Zn), 2.76-60.52 (Pb), 0.04-0.34 (Cd), 7.18-25.03 (Ni), 43,255-70,534 (Fe), 449-1,401 (Mn), 17.10-64.90 (Cr), 1,440-25,684 (Mg), 10,941-49,354 (Ca), 51.10-176.50 (Cu), 4,388-12,707 (Ti), 28,038-83,849 (Al), and for Hg (in nanograms gram(-1)) 0.01-0.06. Relative cumulative frequency analysis was used to determine the baseline values for the 13 metals. Compared with adjacent areas in Antarctica, Mg and Ni are significantly lower, but Cu is significantly higher than that of McMurdo Station. Enrichment factor analysis and the geo-accumulation index method were applied in order to determine the extent of anthropogenic contamination, and both show that Pb, Cd, and Hg have been significantly increased by human activities. Principal component analysis was used to identify the sources of metals in these soil samples.     

Groundwater contamination evolution in the Guadiamar and Agrio aquifers after the Aznalcóllar spill: assessment and environmental implications

In 1998, the Agrio and Guadiamar rivers underwent an enormous environmental disaster caused by the rupture of the Aznalcóllar tailings dam and the release of 6 hm³ of pyrite sludge and acidic water. Both rivers run over recent alluvial materials which form a small-sized aquifer which is however important because underground water feeds the flow of the rivers. This work analyzes the state of groundwater 10 years after the spill. Before the dam failure, this aquifer was already contaminated in the zone nearest to the mine, to which the impact of the spill was added. Contamination levels in the alluvial aquifer of the Agrio River have decreased remarkably. However, they are still important, with acidic pH values and high concentrations of toxic elements (maximum values of 16 mg/L of Zn and 15 mg/L of Al). There are also important levels of contamination in the Guadiamar alluvial area closest to the mine, as well as in specific zones located further south. The concentration of toxic elements is mainly controlled by pH. The evolution of contaminant levels show a sharp decrease after the first years following the spill, followed by a subsequent stabilization. It is necessary to take measures for the recovery of the aquifer because, otherwise, groundwater will continue contributing contaminants into the Agrio and Guadiamar rivers.