冷原子荧光法测定生活垃圾堆肥产品中汞

通过试验研究,建立了用王水消解、冷原子荧光法测定生活垃圾堆肥产品中汞的方法.本方法的检出限为0.006 mg/kg (按称取0.5 g试样消解定容至50 ml计算),用于国内不同地域的堆肥样品测定,其相对标准偏差(RSD)在2.55%～10.7%之间,加标回收率介于91.0%～108.0%,可作为一种较理想的检验堆肥产品质量的方法.     

A review on analytical methods for pharmaceutical and personal care products and their transformation products

Pharmaceutical and personal care products (PPCPs) and corresponding transformation products have caused widespread concern due to their persistent emissions and potential toxicity. They have wide octanol-water partition coefficients (K_ow) and different ionization constants (pK_a) resulting in a poor analysis accuracy and efficiency. A suitable analytical method is the first prerequisite for further research on their environmental behavior to prioritize the substances. This study reviewed a full-scale analytical protocol for environmental samples in the recent ten years: from sampling to instrumental methods. Passive sampling techniques were compared and recommended for long-term continuous and scientific observation. A quick and effective sample extraction and clean-up method are highly required. Chromatographic methods coupled to mass spectrometry for determining PPCPs with a wide range of logK_ow (?7.53 to 10.80) were summed up. High-resolution mass spectrometry was confirmed to be a promising strategy for screening unknown transformation products, which would provide a nanogram level of detection limits and more accurate mass resolution. Screening strategies and mass change principles were summarized in detail. The recovery rate was important in multiple contaminants analysis identification and factors affecting the recovery rate of PPCPs were also discussed in this review, including sample matrix, target compounds characteristics, extraction method and solid-phase adsorbent. This review provides useful information for the selection of appropriate analytical methods and future development directions.     

加油站三次油气回收技术现状分析与性能提升技术研究

针对近年来加油站三次油气回收设备排放频繁超标的问题,对加油站已投用的三次油气回收设备进行调研分析,找出导致三次油气回收设备排放超标的原因,通过数据模拟对相关结论进行验证,提出解决三次油气回收设备超标排放问题的技术提升措施。     

基于含时密度泛函理论的紫外光对太安的定性影响

目的 研究太安炸药在紫外光作用下的稳定性退化机制。方法 基于TDDFT(含时密度泛函)理论,在pbe1pbe/6-311G**水平下对太安分子50个激发态进行计算,依据计算结果,绘制吸收光谱,使用空穴–电子方法对最大吸收峰3个激发态(S₉、S₁₀和S₁₁)的激发特征进行分析,这3个激发态对最大吸收峰的总贡献率达97.31%。将此3个激发态定为研究对象,对太安分子被特定的紫外光激发至激发态后弱键的Mayer和Laplace键级进行分析,并基于IFCT(Interfragment Charge Transfer)方法对太安分子激发至激发态过程中的电子转移情况进行描述。结果 太安紫外吸收光谱的最大吸收峰位置为186.6 nm,小于实验测试的吸收峰位置8.4 nm。对此吸收峰的强度贡献最大的3个激发态中,S₉态贡献最高,为48.27%,其余2个激发态S₁₀、S₁₁为简并态,贡献相同,为24.52%。通过空穴–电子的电荷转移分析结果可知,3个激发态均存在整体激发并带...     

三维原子场全息作用矢量用于芳香类化合物的三维QSAR研究

采用新型的的三维原子场全息作用矢量(3D-HoVAIF)研究了200种芳香化合物的化学结构与其生物毒性的定量构效关系(QSAR).首先对芳香化合物进行了结构参数化表达,然后采用逐步回归(SMR)对变量进行筛选,建立了三维定量构效关系模型.其87个无氢键分子的模型和113个有氢键分子的模型的复相关系数和标准偏差分别为R2=0.801,SD=0.473和R2=0.929,SD=0.318.模型具有良好的稳定性和预测能力,证明了该三维原子场全息作用矢量在分子结构表征和生物毒性预测上的适用性.     

Ultra trace simultaneous determination of 50 polycyclic aromatic hydrocarbons in biota using pMRM GC-MS/MS

Abstract

A saponification extraction method with gas chromatography pseudo-MRM (pMRM) mass spectrometry detection was developed for the determination of 50 total polycyclic aromatic hydrocarbons (TPAH50, a combination of parent and alkylated homologues) in biota. The method was aimed at monitoring and identification of potential TPAH contaminants in bitumen impacted environments. Alkylated PAHs were determined by multi-level, quantitative calibration using parent PAHs. The developed and thoroughly validated method required only one injection for TPAH50 analysis which represents significant saving of time and expensive authentic alkylated standards. The current method was tested with certified reference mussel tissue NIST 1974c and performed well. In a comparison study, the method reached a limit of quantitation (LOQ) for the TPAH50 between 0.1 and 0.2?ng g^?1, while the QuEChERs enhanced matrix removal – lipid (EMR) kit produced by Agilent showed an LOQ of 5–10?ng g^?1. The current method relied on response factors (RF) for the quantitation of alkylated PAHs determined against parent PAHs. These RFs were shown to be stable and consistent over the course of 1 year, during which over 200 routine environmental biota monitoring samples were analyzed. The environmental biota monitoring samples analyzed include muscle, carcass and liver, with an average total PAH50 concentration of 13, 90 and 135?ng g^?1, respectively. Results show significant differences in the distributions of 1 ringed, 2 ringed, 3 ringed, 4 ringed, and 5+ ringed TPAHs between the types of biota samples.     

复合分子筛去除水中氟化物的研究

通过使用复合分子筛对模拟含氟水进行静态吸附实验,研究了复合分子筛对水中氟化物的吸附性能,并分析了吸附过程中温度、pH值和停留时间等因素对分子筛除氟效率的影响。结果表明,用80 g粒径0.9 mm的分子筛处理150 mL浓度为5 mg/L的模拟含氟水,分子筛的除氟效率达到90%以上,而同样条件下天然沸石和改性涂铁沸石的去除率分别为23.35%和80.69%。分子筛的除氟效率随着温度呈现先上升后下降的趋势,50℃时去除效率达到最高,为92.7%;在弱酸性条件下的去除率比碱性条件要高,在pH=4时去除率最大,为91.8%;停留时间初始阶段与去除率保持正相关,在45 min后反应达到平衡。分子筛的吸附速率符合二级动力学方程dqe/dt=k(qe-qt)2,吸附等温线符合Langmuir方程。     

Natural radionuclide concentrations in two phosphate ores of east Algeria

Ore is considered as an important source of many elements such as the iron, phosphorus, and uranium. Concerning the natural radionuclides, their concentrations vary from an ore to other depending on the chemical composition of each site.In this work, two phosphate ores found in East of Algeria have been chosen to assess the activity concentration of natural radionuclides represented mainly by three natural radioactive series ²³⁸U, ²³⁵U and ²³²Th, and the primordial radionuclide ⁴⁰K where they were determined using ultra-low background, high-resolution gamma-ray spectroscopy.The measured activity concentrations of radioactive series ranged from 6.2 ± 0.4 to 733 ± 33 Bq.kg⁻¹ for the ²³²Th series, from 249 ± 16 to 547 ± 39 Bq.kg⁻¹ for the ²³⁸U series, around 24.2 ± 2.5 Bq.kg⁻¹ for the ²³⁵U series, and from 1.4 ± 0.2 to 6.7 ± 0.7 Bq.kg⁻¹ for ⁴⁰K.To assess exposure to gamma radiation in the two ores, from specific activities of ²³²Th, ⁴⁰K and ²²⁶Ra, three indexes were determined: Radium equivalent (Ra_eq), external and internal hazard indexes (H_ex and H_in), their values ranged from 831 ± 8 to 1298 ± 14 Bq.kg⁻¹ for Ra_eq, from 2.2 ± 0.4 to 3.5 ± 0.7 Bq.kg⁻¹ for H_ex, and from 4.2 ± 0.7 to 4.5 ± 0.7 Bq.kg⁻¹ for H_in.     

Uranium isotopes in Tunisian bottled mineral waters

²³⁴U and ²³⁸U activity concentrations and their relative effective doses have been determined in 10 bottled mineral waters in Tunisia. Alpha spectrometry was used as technique to measure uranium isotopes. The obtained isotopic ratio ²³⁴U/²³⁸U varies between 1.1 and 3 which means that the two isotopes are not in radioactive equilibrium. Measured activity concentration varies between 3.2 and 40 mBq/l for ²³⁴U and between 1.5 and 26.3 mBq/l for ²³⁸U. Effective doses (assuming 2 litres per day of water consumption) coming from this two isotopes are found to vary between 0.16 and 2.02 μSv/a which is lower than the maximum recommended dose level by the WHO.     

Measuring the radium quartet (Ra, Ra, Ra, Ra) in seawater samples using gamma spectrometry

Radium isotopes are widely used in marine studies (eg. to trace water masses, to quantify mixing processes or to study submarine groundwater discharge). While ²²⁸Ra and ²²⁶Ra are usually measured using gamma spectrometry, short-lived Ra isotopes (²²⁴Ra and ²²³Ra) are usually measured using a Radium Delayed Coincidence Counter (RaDeCC). Here we show that the four radium isotopes can be analyzed using gamma spectrometry. We report ²²⁶Ra, ²²⁸Ra, ²²⁴Ra, ²²³Ra activities measured using low-background gamma spectrometry in standard samples, in water samples collected in the vicinity of our laboratory (La Palme and Vaccarès lagoons, France) but also in seawater samples collected in the plume of the Amazon river, off French Guyana (AMANDES project). The ²²³Ra and ²²⁴Ra activities determined in these samples using gamma spectrometry were compared to the activities determined using RaDeCC. Activities determined using the two techniques are in good agreement. Uncertainties associated with the ²²⁴Ra activities are similar for the two techniques. RaDeCC is more sensitive for the detection of low ²²³Ra activities. Gamma spectrometry thus constitutes an alternate method for the determination of short-lived Ra isotopes.