Photolysis of mono- through deca-chlorinated biphenyls by ultraviolet irradiation in n-hexane and quantitative structure-property relationship analysis

The photolysis of 16 polychlorinated biphenyls （PCBs） （including mono- through deca-chlorinated） in n-hexane was investigated under ultraviolet irradiation using a 500-W high-pressure mercury lamp. Photolysis of PCBs follows pseudo-first-order reaction kinetics, with photolysis rate constants ranging between 0.0011 s^-1 for PCB-52 and 0.0574 s^-1 for PCB-118. The degradation rates of PCBs by high-pressure mercury lamp irradiation were remarkably independent with respect to the degree of chlorination. Furthermore, partial least squares （PLS） models were developed to provide insight into which aspect of the molecular structure influenced PCB photolysis rate constants. It was found that the photolysis rates of PCBs increased with an increase in the net charge on the carbon atom （qc）, （ELUMO-EHOMO）^2, and the Y-axis dipole moment （μy） values, or the decrease in the energy of the second highest occupied molecular orbital （EHOMO-1）, energy of the lowest unoccupied molecular orbital （ELUMO）, ELUMO ＋ EHOMO, ELUMO - EHOMO, most positive atomic charge （q^＋）, and the twist angle of the chlorine atom （TA） values.     

Calculation method of quantum efficiency to TiO2 nanocrystal photocatalysis reaction

The quantum yield is an important factor to evaluate the efficiency of photoreactor.This article vires an overall calculation method of the quantum efficiency(Φ) and the apparent quantum efficiency(Φa) to the TiO2/UV photocatalysis system.Furthermore,for the immobility system(IS),the formulation of the faction of light absorbed by the TiO2 thin film is proposed so as to calculate the quantum efficiency by using the measured value and theoretic calculated value of transmissivity(T).For the suspension system(SS),due to the difficulty to obtain the adsorption coefficient(α) of TiO2 particulates,the quantum efficiency is calculated by means of the relative photonic efficiency(ζr)and the standard quantum yield(Φstandard).     

石油污染对非洲鲫鱼血清蛋白的影响

本文通过分析非洲鲫鱼清蛋白含量的变化，研究油对鱼类的致毒效应，试验结果表明，对血清蛋白影响的方式为：（１）油既能提高血清总蛋白和球蛋白含量，又能降低血清白蛋白含量和白蛋白／球蛋白的比值；（２）油对非洲鲫鱼血清蛋白产生作用的浓度阈值为０．０５ｍｇ／Ｌ。     

Functionalization of nitrogen-doped graphene quantum dot: A sustainable carbon-based catalyst for the production of cyclic carbonate from epoxide and CO2

A series of organic compounds were successfully immobilized on an N-doped graphene quantum dot (N-GQD) to prepare a multifunctional organocatalyst for coupling reaction between CO₂ and propylene oxide (PO). The simultaneous presence of halide ions in conjunction with acidic- and basic-functional groups on the surface of the nanoparticles makes them highly active for the production of propylene carbonate (PC). The effects of variables such as catalyst loading, reaction temperature, and structure of substituents are discussed. The proposed catalysts were characterized by different techniques, including Fourier transform infrared spectroscopy (FTIR), field emission scanning electron microscopy/energy dispersive X-ray microanalysis (FESEM/EDX), thermogravimetric analysis (TGA), elemental analysis, atomic force microscopy (AFM), and ultraviolet–visible (UV-Vis) spectroscopy. Under optimal reaction conditions, 3-bromopropionic acid (BPA) immobilized on N-GQD showed a remarkable activity, affording the highest yield of 98% at 140°C and 10⁶ Pa without any co-catalyst or solvent. These new metal-free catalysts have the advantage of easy separation and reuse several times. Based on the experimental data, a plausible reaction mechanism is suggested, where the hydrogen bonding donors and halogen ion can activate the epoxide, and amine functional groups play a vital role in CO₂ adsorption.     

碲化镉量子点暴露对小鼠凝血相关因子的影响

研究碲化镉量子点(cadmium telluride quantum dots, Cd Te QDs)对小鼠凝血相关因子的影响,进一步探讨QDs的心血管毒性机制。将48只雄性ICR小鼠随机分成6组,每组8只。分别使用不同剂量(0.15μmol·kg~(-1)、1.5μmol·kg~(-1)和15μmol·kg~(-1))的Cd Te QDs和生理盐水一次性经尾静脉注射染毒小鼠1 d,15μmol·kg~(-1)剂量的Cd Te QDs染毒3 d和7 d,检测小鼠血浆中凝血相关因子的含量变化。结果显示,与对照组相比,随着染毒剂量增加小鼠组织型纤溶酶原激活剂(t-PA)和纤维蛋白原(FIB)含量逐渐增高,组织因子途径抑制物(TFPI)含量逐渐降低,具有明显的剂量-效应关系。除15μmol·kg~(-1)剂量组外,组织因子(TF)、凝血因子XII(FXII)和纤溶酶原(Plg)含量具有升高的趋势,抗凝血酶Ⅲ(AT-Ⅲ)含量则无明显变化;随着染毒时间增加,TF、FXII、FIB、Plg和t-PA含量有明显的先升高后降低的变化趋势,TFPI含量在1 d达到最低,之后逐渐升高,AT-Ⅲ含量则在7 d达到最低。Cd Te QDs急性染毒可引起小鼠血浆中TF、FXII、FIB、TFPI、Plg和t-PA的含量明显改变,并且具有不同的变化趋势。提示Cd Te QDs可能会激活凝血系统和纤溶系统,抑制抗凝系统,从而引起凝血功能紊乱。     

Robust benchmark dose determination based on profile score methods

We investigate several methods commonly used to obtain a benchmark dose and show that those based on full likelihood or profile likelihood methods might have severe shortcomings. We propose two new profile likelihood-based approaches which overcome these problems. Another contribution is the extension of the benchmark dose determination to non full likelihood models, such as quasi-likelihood, generalized estimating equations, which are widely used in settings such as developmental toxicity where clustered data are encountered. This widening of the scope of application is possible by the use of (robust) score statistics. Benchmark dose methods are applied to a data set from a developmental toxicity study.     

稀有鮈鲫Dmrt基因家族13个成员的克隆与序列分析

已经发现果蝇Doublesex、线虫Mab-3、青DMRT1Y/DMY和人类DMRT1等性别决定与分化基因均含有一个具有DNA结合能力的保守基序--DM结构域,对性别决定和性别分化具有调控功能.利用简并PCR,从稀有鲫基因组DNA中克隆了13个具有不同DM结构域的Dmrt基因家族成员.基于DM保守基序,建立了各物种的进化树.结果表明,稀有鲫基因组存在多个Dmrt基因成员,该基因在脊椎动物和非脊椎动物中具有高度保守性,是一种理想的环境内分泌干扰物研究的分子模型,在分子生态毒理学研究中具有很好的应用前景.     

TOXIC EFFECTS OF PETROLEUM AND SHALE JP-4 AND JP-8 AVIATION FUELS ON FATHEAD MINNOWS1

ABSTRACT: Static 96-hour median lethal concentrations were determined for the water-soluble fraction (WSF) of both petroleum-derived and shale-derived avaiation fuels (JP-4 and JP-8) using fathead minnows. JP-8 was more toxic than JP-4 except for one shale JP-4 sample that was as toxic as the JP-8. Petroleum and shale JP-8 were similar in toxicity. The toxicity of shale JP-4 was less clear. Shale JP-4 from three vendor sources revealed differing toxicity values. One shale JP-4 sample was more toxic and one less toxic than its petroleum analogue, with the third being equally toxic. Toxicity of the fuels may be enhanced by compounds in the WSF that correspond to chemicals containing 10 or more carbon atoms.     

THE CASE FOR DIRECT MEASUREMENT OF ENVIRONMENTAL RESPONSE TO HAZARDOUS MATERIALS1

ABSTRACT: Direct measurement of response thresholds of complex biological systems to toxic chemicals is now possible using microcosms and other simulation techniques. Extrapolation to no-observable response using application factors and data from single species toxicity tests is less precise than direct measurements.     

“大数据”预测分析与三丁基锡暴露有关疾病

通过毒理学“大数据”,挖掘三丁基锡（TBT）潜在的生物影响信息,预测分析TBT暴露与人类相关疾病的关系.通过比较毒理组学数据库（CTD）搜集到488个和TBT具有相互作用的基因.基因相互作用网络图显示TP53拥有相关联基因最多,处于中心地位;其次是ESR1和FN1.CTD分析与TBT相关的疾病,发现前10类疾病分别是癌症、神经系统疾病、心血管疾病、泌尿生殖系统疾病（女）、消化系统疾病、代谢疾病、泌尿生殖系统疾病（男）、内分泌系统疾病、免疫系统疾病、呼吸道疾病.KEGG通路和DAVID基因功能注释分析,发现TBT不仅和代谢性疾病有较高的关联性,其相互作用基因在糖代谢途径上亦有较密集的基因功能注释.PASS的活性预测也发现TBT可能影响多种与糖代谢相关的酶生物活性.这提示TBT对糖代谢相关疾病的影响应引起人们的注意.