QSPR prediction of chromatographic retention times of pesticides: Partition and fractal indices

The high‐performance liquid‐chromatographic retentions of red‐wine pesticide residues are modeled by structure–property relationships. The effect of different types of features is analyzed: geometric, lipophilic, etc. The properties are fractal dimensions, partition coefficient, etc., in linear and nonlinear correlation models. Biological plastic evolution is an evolutionary perspective conjugating the effect of acquired characters and relations that emerge among the principles of evolutionary indeterminacy, morphological determination and natural selection. It is applied to design the co‐ordination index that is used to characterize pesticide retentions. The parameters used to calculate the co‐ordination index are the molar formation enthalpy, molecular weight and surface area. The morphological and co‐ordination indices barely improve the correlations. The fractal dimension averaged for non?buried atoms, partition coefficient, etc. distinguishes the pesticide molecular structures. The structural and constituent classification is based on nonplanarity, and the number of cycles, and O, S, N and Cl atoms. Different behavior depends on the number of cycles.     

Comparative effect of thymol or its glucose conjugate,thymol-β-d-glucopyranoside,on Campylobacter in avian gut contents

Campylobacter jejuni is an important human food-borne pathogen that can contaminate meat and poultry during processing. Consequently, strategies are sought to reduce the carriage of C. jejuni in food animals before they arrive at the abattoir. Thymol is a natural product that reduces survivability of Campylobacter in vitro, but its rapid absorption from the proximal alimentary tract limits its bactericidal efficacy in vivo. Thymol-β-d-glucopyranoside is more resistant to absorption than free thymol, but its administration to chickens has not been reported. In the present studies, 1 mM thymol-β-d-glucopyranoside was shown to exhibit near equal anti-Campylobacter activity as 1 mM thymol when incubated anaerobically in avian crop or cecal contents in vitro, resulting in reductions of 1.10–2.32 log₁₀ colony forming units mL^?1 in C. jejuni concentrations after 24 h incubation. In a follow-up live animal study, oral administration of thymol-β-d-glucopyranoside, but not free thymol, significantly lowered (>10-fold) recovery of Campylobacter from the crop of market-aged broilers when compared to placebo-treated controls (n = 6 broilers/treatment). Neither thymol-β-d-glucopyranoside nor thymol affected recovery of Campylobacter from cecal contents of the treated broilers. These results indicate that rapid absorption or passage of free thymol from the crop precluded its anti-Campylobacter activity at this site and throughout the entire gastrointestinal tract. Conversely, lower recovery of Campylobacter from the crop of birds treated with thymol-β-d-glucopyranoside indicates this conjugate was retained and able to be hydrolyzed to biologically active free thymol at this site as intended, yet was not sufficiently protected to allow passage of efficacious amounts of the intact glycoside to the lower gut. Nevertheless, these results warrant further research to see if higher doses or encapsulation of thymol-β-d-glucopyranoside or similar glycosides may yield an efficacious additive to reduce carriage of Campylobacter as well as other pathogens throughout the avian gut.     

Risk assessment of xenoestrogens in a typical domestic sewage-holding lake in China

Release of domestic sewage leads to accumulation of xenoestrogens in holding waters, especially in closed or semi-enclosed waters such as lakes. In the study, the occurrence, distribution, estrogenic activity and risk of eight xenoestreogens were evaluated in Lake Donghu, China. Nonylphenol (NP), octylphenol (OP), and bisphenol A (BPA) were identified as the main xenoestrogens ranging from tens of ng L⁻¹ (in the surface water) or ng g⁻¹ dw (in the suspended particles and sediment) to tens of μg L⁻¹ or μg g⁻¹ dw. The sum of 17β-estradiol equivalents (∑EEQs) ranged from 0.32 to 45.02 ng L⁻¹ in the surface water, 0.53 to 71.86 ng g⁻¹ dw in the suspended particles, and 0.09 to 24.73 ng g⁻¹ dw in the sediment. Diethylstilbestrol (DES) was determined as the main contributor to ∑EEQs followed by NP. The risk assessment showed a higher risk in the surface water than in the suspended particles and sediment in such domestic sewage-holding lake.     

多孔镁铝复合氧化物对水溶液中Cr（VI）的吸附性能

摘要以镁盐、铝盐、纯碱和烧碱为原料制备了一种多孔镁铝复合氧化物（P—Mg3.1AlO4.6）,其比表面积、平均孔径和总孔容分别为206．3m2／g、8．961nm和0．4208cm3／g。研究了这种多孑L材料对水溶液中cr（VI）的吸附性能,在25～45qC时,静态吸附量为82．32～141．7mg／g;当初始浓度100mg／L、流速5mL／min、床层高度10cm和pH=6时,半穿透时间、半穿透吸附量和饱和吸附量分别为406rain、49．28ing／g和51．30Ing／g;拟合参数及误差分析表明,cr（Ⅵ）在P—M敬。AIO4.6上的静态吸附过程符合Freundlich等温方程式和伪二级动力学方程,Yoon·Nelson模型能很好地预测cr（Ⅵ）在P—Mg3.1A104.6上的动态穿透曲线。     

Size distributions of fine and ultrafine particles in the city of Strasbourg: correlation between number of particles and concentrations of NO(x) and SO(2) gases and some soluble ions concentration determination

An Electrical Low Pressure Impactor (ELPI) was used during spring and autumn 2003 in the centre of Strasbourg for the measurement of atmospheric aerosols size distribution. The concentration of NO(x) and SO(2) in air was simultaneously measured with specific analysers. Samples were collected in the range 0.007-10 microm in equivalent aerodynamic diameter size. Number distributions are representative of a pollution originating from urban traffic with a particle size distribution exhibiting a nucleation mode below 29 nm and an accumulation mode around 80 nm in size. A mean particle density equal to 39000+/-35000 total particles per cm(3) with a size ranging from 7 to 10 microm was obtained after a sampling period of 2 weeks in spring. About 86.9% of the number of particles have an aerodynamic diameter below 0.1 microm and 13.1% between 0.1 and 1 microm. Correlation coefficients between the number of particles impacted on each ELPI plate and gas concentrations (SO(2) and NO(x)) showed that the numbers of particles with diameter between 0.10 and 0.62 microm are highly related to the NO(x) concentration. This result indicates that particles are traffic induced since NO(x) is mainly emitted by cars as shown by measurements on various sites. Particles are less clearly correlated to the SO(2) concentration. Particle analysis on different ELPI plates for a sampling period of 2 weeks in autumn showed high level of soluble NO(3)(-), SO(4)(2-) and NH(4)(+) ions. Indeed, up to 90% b.w. of these three species were found in the particle range 0.1-1 microm. The formation of particulate NH(4)NO(3) is favoured by high NO(x) concentration, which induces the formation of gaseous HNO(3).     

Photocatalytic degradation of disperse blue 1 using UV/TiO2/H2O2 process

The photocatalytic degradation of a dye derivative, C.I. disperse blue 1 (1), has been investigated under UV light irradiation in the presence of TiO2 and H2O2 under a variety of conditions. The degradation was studied by monitoring the change in substrate concentration employing UV spectroscopic technique as a function of irradiation time. The degradation was studied under different conditions such as different types of TiO2, reaction pH, catalyst and substrate concentration containing hydrogen peroxide (H2O2), besides molecular oxygen in the presence of TiO2. The degradation of dye was also investigated under sunlight and the efficiency of degradation was compared with that of the artificial light source. The degradation rates were found to be strongly influenced by all the above parameters. The photocatalyst Degussa P25 was found to be more efficient for the degradation of the dye.     

1/f噪声源与其在半导体器件可靠性评估中的应用

1／f噪声,由于其能够反映器件的质量与可靠性参数,其研究受到重视。本文首先较为系统地介绍了1／f噪声源两种较为成熟的理论：迁移率涨落模型和载流子涨落模型,最后介绍了几个1／f噪声与半导体器件参数漂移相关的实例。     

基于混沌、灰色理论模型,预测煤矿生产中安全状况的对比分析

建立煤矿安全生产状况预测的非线性回归模型、混沌动力学模型、灰色模型和灰色残差模型,用4种模型对我国百万吨煤矿死亡率进行预测分析,其结果表明:混沌动力学预测模型和非线性回归模型使用参数较少、计算简单,易于推广,但预测精度尚不高,误差较大;使用灰色残差模型进行预测,虽然计算复杂,但预测精度较高,验证2007年度百万吨死亡率相对误差仅为0.96%,煤炭生产的安全性指标百万吨死亡率宜采用残差模型进行预测。笔者认为,灰色残差模型在对煤矿安全生产的宏观管理领域有广泛的应用前景。     

雷州半岛桉林-砖红壤水分动态变化特征研究

根据定位观测数据,对雷州半岛浅海沉积物发育的桉林地砖红壤水分状况及其动态变化进行了初步探讨.结果表明,受水分蒸发量大等因素的影响,0～100 cm土层月均贮水量较低;主要受降雨分布的影响,土壤水分呈明显的季节性变化特征且季节性干旱时间较长,8～     

1—硝基芘对斜生栅藻的毒性研究

酿要用评价化学品对藻类毒性的标准实验方法,研究了１－硝基芘对斜生栅藻生长的影响,得到了１－ＮＰ抑制斜生栅藻生长的ＥＣ５０（９６ｈ）为０．１８２４ｍｇ．１＾－１,实验结果还表明,１－ＮＰ对藻生长的抑制作用随时间的延长而增加,抑制物性表现为特久且强度大,抑制机理为不可逆性抑制。