The three-dimensional structure of 3,3',4,4'-tetrachlorobiphenyl, a dioxin-like polychlorinated biphenyl (PCB)

The crystal structure of PCB 77 (3,3',4,4'-tetrachlorobiphenyl, C(12)H(6)Cl(4)), a dioxin-like PCB congener, is described. The dihedral angle of PCB 77 is 43.94(6) degrees, which is slightly larger than calculated or experimental dihedral angles of biphenyl derivatives in solution but smaller than experimental dihedral angles in the gas phase.     

The production and characterization of a transition metal (FE(III))-S(IV) aerosol

A simple method for the routine generation of aerosols which contain Fe(III)-S(IV), for use in inhalation toxicological and biochemical studies, is presented. The technique involves passage of SO₂ through a heated column containing a vanadium pentoxide-alumina catalyst, followed by contact with a submicrometer aerosol of Fe₂O₃. The resultant aerosol is realistic in terms of potential production in flue gas desulfurization devices as well as in the plumes of smelters and fossil-fuel burning power plants. During the process of aerosol analysis, a number of difficulties were encountered with the thermometric titration calorimetry method for sulfite determination. These are discussed in relation to the experimental results.     

Development and application of three-dimensional potential source contribution function (3D-PSCF)

A potential source contribution function (PSCF) can indicate the source areas of high air pollutant concentrations using backward trajectories. However, the conventional two-dimensional PSCF (2D-PSCF) cannot consider the emission and transport height of air pollutants. That missing information might be critical because injection height varies depending on the source type, such as with biomass burning. We developed a simple algorithm to account for the height of trajectories with high concentrations and combined it with the conventional PSCF to devise 3D-PSCF. We demonstrate the applicability of the 3D-PSCF by applying it to particulate PAH data collected from September 2006 to August 2007 in Seoul. We found variation in the results from 3D-PSCF with threshold heights from 3,000 to 1,500 m. Applying 2,000 m as the threshold height in the PSCF calculation most clearly determined the possible source areas of air pollutants from biomass fuel burning that were affecting the air quality in Seoul.     

Preparation and X-ray structural characterization of further stereoisomers of 1,2,5,6,9,10-hexabromocyclododecane

Technical 1,2,5,6,9,10-hexabromocyclododecane (HBCD) consists largely of three diastereomers (α-, β-, and γ-HBCD) produced by the trans addition of bromine to cis,trans,trans-cyclododeca-1,5,9-triene (CDT). However, another seven diastereomers are theoretically possible and may be produced by trans addition of bromine across the double bonds of the other three isomers of 1,5,9-CDT. There are indications that small amounts of the minor HBCD isomers may be present in commercial HBCD mixtures or in products containing this brominated flame retardant (BFR). Such minor components may indeed derive from traces of other 1,5,9-CDTs in the cis, trans, trans starting material, however their formation may also be possible through isomerizations during the processing of this BFR or by bioisomerization subsequent to its release into the environment. Two of the seven additional diastereomers (δ- and ε-HBCD) were synthesized previously from trans,trans,trans-CDT. We now report the preparation of the remaining five diastereomers, ζ-, η-, and θ-HBCD from cis,cis,trans-CDT and ι- and κ-HBCD from cis,cis,cis-CDT, and their characterization by ¹H NMR spectroscopy and X-ray crystallography. The availability of these further diastereomers of HBCD should aid in determining if the minor isomers are present in commercial samples of this BFR, in products containing HBCDs, or in environmental samples. We have also carried out an X-ray crystal structure determination on ε-HBCD, so that crystal structures are now available for all 10 HBCD diastereomers.     

TRLFS characterization of Eu(III)-doped synthetic organo-hectorite

Europium(III) was coprecipitated with the clay mineral hectorite, a magnesian smectite, following a multi-step synthesis procedure. Different Eu(III) species associated with the proceeding synthetic hectorite were characterized by selectively exciting the 5D0-->7F0 transition at low temperature (T < 20 K). Fluorescence decay times indicated that Eu(III) ions may be incorporated in the octahedral layer of the brucite precursor as well as in the octahedral sheet of the clay mineral. The excitation spectra indicated that the substitution of the divalent Mg by the trivalent Eu induced local structural deformation. This investigation implements the molecular-level understanding of the f element structural incorporation into the octahedral layer of sheet silicates by coprecipitation with clay minerals from salt solutions at 100 degrees C.     

玉米芯水热预处理条件优化及木质素的结构表征

利用基于3因素3水平的Box-Behnken设计响应曲面实验,研究了添加干冰为辅助介质的水热预处理条件：预处理温度,预处理时间以及辅助介质添加量这3个因素以及这3个因素中两两交互作用对木质素含量的影响,并对水热预处理条件进行了优化。并采用13C固体核磁波谱（NMR）和红外（FT-IR）光谱分析了木质素的结构变化。根据方差分析,辅助介质添加量对木质素含量的影响最为显著,其次是预处理时间,预处理温度的影响最弱。以木质素含量最小为目标,根据二元回归方程预测出最佳的预处理条件为：温度180℃,时间90 min,0.47 g辅助介质添加量,在最优条件下,木质素含量预计为21.2%,脱除率达到31.6%。固体13C NMR和FTIR分析表明,在水热预处理过程中,木质素的致密结构遭到了破坏,木质素高聚体进行了解聚,产生了单体和低聚体。并且确定玉米芯中的木质素主要是紫丁香基型木质素和愈创木基型木质素。     

Spectroscopic characterization of the structural and functional properties of natural organic matter fractions

Natural organic matter (NOM) is known to be complex in nature with varying structural and functional characteristics. In this study, an aquatic NOM was fractionated into the polyphenolic-rich (NOM-PP) and the carbohydrate-rich (NOM-CH) fractions in an attempt to better characterize their chemical and structural properties along with a reference soil humic acid (SHA). Various spectroscopic techniques were employed for the study, including ultraviolet-visible (UV/Vis). 13C-nuclear magnetic resonance, Fourier-transform infrared, fluorescence, and electron paramagnetic resonance spectroscopies. Results indicate that the relative abundance of aromatic C=C and methoxyl (-OCH3) functional groups are in the order of SHA > NOM-PP > NOM-CH. However, the aquatic NOM-PP and NOM-CH fractions are characterized by high contents of carboxylic and alcoholic functional groups relative to the SHA. In particular, the NOM-PP fraction appears to contain more phenolic and ketonic functional groups than the NOM-CH and SHA fractions, and it gives a strong fluorescence and high paramagnetic spin count. On the other hand, the NOM-CH fraction possesses a relatively low amount of carbon but a high amount of oxygen or oxygen-containing structural features, such as carbohydrate-OH and carboxylic groups, and shows the least fluorescence intensity and paramagnetic spin counts. Results of these spectroscopic studies confirm the heterogeneous nature of NOM, and point out the importance of isolation and improved characterization of various NOM subcomponents in order to better understand the behavior and roles of NOM in the natural environment.     

The three-dimensional structure of 3, 3', 5'-trichloro-4-methoxybiphenyl, a "coplanar" polychlorinated biphenyl (PCB) derivative

The crystal structure of a "coplanar" polychlorinated biphenyl (PCB) derivative, 4-methoxy-3, 3', 5'-trichlorobiphenyl (C13H9Cl3O), is described. The torsion angle of the title compound is 41.31(07) degrees, which is in good agreement with the calculated torsion angle of 38.2 degrees in aqueous solution.     

Application of positive matrix factorization in characterization of PM(10) and PM(2.5) emission sources at urban roadside

The 24-h average coarse (PM₁₀) and fine (PM_2.5) fraction of airborne particulate matter (PM) samples were collected for winter, summer and monsoon seasons during November 2008-April 2009 at an busy roadside in Chennai city, India. Results showed that the 24-h average ambient PM₁₀ and PM_2.5 concentrations were significantly higher in winter and monsoon seasons than in summer season. The 24-h average PM₁₀ concentration of weekdays was significantly higher (12-30%) than weekends of winter and monsoon seasons. On weekends, the PM_2.5 concentration was found to slightly higher (4-15%) in monsoon and summer seasons. The chemical composition of PM₁₀ and PM_2.5 masses showed a high concentration in winter followed by monsoon and summer seasons.The U.S.EPA-PMF (positive matrix factorization) version 3 was applied to identify the source contribution of ambient PM₁₀ and PM_2.5 concentrations at the study area. Results indicated that marine aerosol (40.4% in PM₁₀ and 21.5% in PM_2.5) and secondary PM (22.9% in PM₁₀ and 42.1% in PM_2.5) were found to be the major source contributors at the study site followed by the motor vehicles (16% in PM₁₀ and 6% in PM_2.5), biomass burning (0.7% in PM₁₀ and 14% in PM_2.5), tire and brake wear (4.1% in PM₁₀ and 5.4% in PM_2.5), soil (3.4% in PM₁₀ and 4.3% in PM_2.5) and other sources (12.7% in PM₁₀ and 6.8% in PM_2.5).     

三维荧光联合气相色谱/质谱快速溢油鉴别技术研究

通过一个具体溢油事例的研究,提出了通过三维荧光联合气相色谱/质谱(GC/MS)进行海面溢油鉴别的方法。采用三维荧光指纹信息(谱图形状、荧光特征峰位置、荧光特征峰强度)对14个可疑溢油源样品进行筛选,排除了13个可疑溢油源样品后,再利用GC/MS方法对溢油样品以及剩余可疑溢油源样品中难降解的生物标志化合物(饱和链烷烃、萜烷、甾烷、多环芳烃)进行分析,计算相应的诊断比值并采用重复性限方法进行溢油样品和可疑溢油源样品的鉴别分析。结果表明,溢油样品与其中的一个可疑溢油源样品一致,为同一来源;采用三维荧光联合GC/MS进行海面溢油鉴别,既可保证鉴别的准确性,又可大幅度减少检测工作量,缩短鉴定周期。     

Pollution characterization of liquid waste of the factory complex Fertial (Arzew,Algeria)

The industrial development in Algeria has made a worrying situation for all socioeconomic stakeholders. Indeed, this economic growth is marked in recent years by the establishment of factories and industrial plants that discharge liquid waste in marine shorelines. These releases could destabilize the environmental balance in the coming years, hence the need to support the processing of all sources of pollution. Remediation of such discharges requires several steps of identifying the various pollutants to their treatments. Therefore, the authors conducted this first work of characterization of industrial effluents generated by the mineral fertilizer factory complex Fertial (Arzew), and discussed the pollution load generated by this type of industry. This monitoring would establish a tool for reflection and decision support developed by a management system capable of ensuring effective and sustainable management of effluents from industrial activities of Fertial.

Implications: The authors conducted this first work of characterization of industrial effluents generated by the mineral fertilizer factory complex Fertial (Arzew), and discussed the pollution load generated by this type of industry. This monitoring would establish a tool for reflection and decision support developed by a management system capable of ensuring effective and sustainable management of effluents from industrial activities of Fertial.     

Cholinesterase characterization in Corbicula fluminea and effects of relevant environmental contaminants: a pesticide (chlorfenvinphos) and a detergent (SDS)

This study characterizes the cholinesterasic forms present in the bivalve Corbicula fluminea, through the analysis of differential affinity towards various substrates and inhibitors. This approach also permitted the validation of cholinesterase inhibition in the mentioned species for monitoring purposes by evaluating the inhibitory activity of a detergent (SDS) and a pesticide (chlorfenvinphos), both in vitro and in vivo. The cholinesterasic form present in the tissues of C. fluminea showed intermediate properties in terms of its relation with substrates and inhibitors. Furthermore, it was not inhibited by the detergent SDS under any of the test conditions, but was clearly inhibited by the selected organophosphate. The data show clearly that the main cholinesterasic form in C. fluminea is responsive to the organophosphate chlorfenvinphos, thus supporting the use of this biomarker for the environmental monitoring of specific contaminants such as anticholinesterasic pesticides. Despite not being commonly attained in the wild, the levels of chlorfenvinphos required to elicit a significant ChE inhibition were only one order of magnitude above actual values of aquatic contamination by this pesticide.     

Cholinesterase characterization in Corbicula fluminea and effects of relevant environmental contaminants: A pesticide (chlorfenvinphos) and a detergent (SDS)

This study characterizes the cholinesterasic forms present in the bivalve Corbicula fluminea, through the analysis of differential affinity towards various substrates and inhibitors. This approach also permitted the validation of cholinesterase inhibition in the mentioned species for monitoring purposes by evaluating the inhibitory activity of a detergent (SDS) and a pesticide (chlorfenvinphos), both in vitro and in vivo. The cholinesterasic form present in the tissues of C. fluminea showed intermediate properties in terms of its relation with substrates and inhibitors. Furthermore, it was not inhibited by the detergent SDS under any of the test conditions, but was clearly inhibited by the selected organophosphate. The data show clearly that the main cholinesterasic form in C. fluminea is responsive to the organophosphate chlorfenvinphos, thus supporting the use of this biomarker for the environmental monitoring of specific contaminants such as anticholinesterasic pesticides. Despite not being commonly attained in the wild, the levels of chlorfenvinphos required to elicit a significant ChE inhibition were only one order of magnitude above actual values of aquatic contamination by this pesticide.     

Source characterization and risk of exposure to atmospheric polychlorinated biphenyls (PCBs) in Ghana

With recent evidence that persistent organic pollutants (POPs) such as polychlorinated biphenyls (PCBs) are emerging in environmental media in some developing countries that otherwise have sparing production and usage history, it has become important to identify such contemporary source factors of PCBs and the risks this may pose, in line with the global consensus on POP management and elimination. The present study investigated contaminations from atmospheric PCBs in Ghana, deciphered source factors, and accessed risk of exposure to dioxin-like PCBs (DL-PCBs). Atmospheric PCBs were monitored by deployment of PUF-disk passive air samplers (PAS) at several sites across Ghana for 56 days. Atmospheric ∑₁₉₀PCB concentration in Ghana ranged from 0.28 ng/m³ in Kumasi to 4.64 ng/m³ at Agbogbloshie, a suburb in Accra noted for informal electronic waste (e-waste) recycling activities. As high as 11.10 ng/m³ of PCB concentration was measured in plumes from uncontrolled open burning of e-wastes at Agbogbloshie. Applying statistical source characterization tools, it emerged that e-wastes were a major contributor to the environmental burden of atmospheric PCBs in Ghana. The risk of DL-PCB toxicity via inhalation in the Agbogbloshie area was 4.2 pg TEQ/day, within similar order of magnitude of an estimated risk of 3.85 pg TEQ/day faced by e-waste workers working averagely for 8 h per day. It is suggested that elimination of e-waste sites would help to significantly reduce PCB-related toxicity issues in Ghana.

Open image in new window

Graphical abstract ?

     

Identification and estrogenic characterization of impurities in commercial bisphenol A diglycidyl ether (BADGE)

A sample of commercial BADGE was fractioned by HPLC and eight impurities including novel propyl derivatives (2), (5) and (6) were identified by NMR spectrometry, FAB-MS and GC-MS. The estrogenicity, both agonist and antagonist, of fractions containing these impurities was measured with a yeast two-hybrid assay incorporating the human (hER alpha) and a competitive binding assay for hER alpha (ELISA). In the yeast two-hybrid assay, estrogenic antagonist activity was found in two fractions, while estrogenic agonist activity was not found in any. In the ELISA method, the binding affinity to hER alpha was found in three fractions. It is probable that a comprehensive assessment of the estrogenic properties of commercial BADGE, and their implications for human health, will require examination of all its components as described here.     

改性纤维素吸附剂的合成及其对铜离子的吸附

建立了一种简单方便的纤维素改性的固相合成方法。采用普遍廉价的滤纸作为原料,用固相合成法将预处理后的滤纸纤维经琥珀酸酐进行酯化改性,制备成新型的纤维素吸附剂,通过质量增比、扫描电镜、傅里叶红外光谱仪和X射线衍射仪对制备的吸附剂进行了分析表征,并且探究了离子初始浓度、溶液pH和吸附时间对改性纤维素吸附铜离子的影响。结果表明,在室温下初始离子浓度为1 000 mg/L,离子溶液体积为50 mL,加入0.1 g纤维改性剂,pH 为 4.0~5.0,吸附平衡时间为50 min时,滤纸纤维改性后最大吸附铜离子质量可达470 mg/g,铜离子去除率达到94%。     

An interpretive structural modeling (ISM) and decision-making trail and evaluation laboratory (DEMATEL) method approach for the analysis of barriers of waste recycling in India

Increasing amount of wastes is posing great difficulties for all countries across the world. The problem of waste management is more severe in developing countries such as India where the rates of economic growth and urbanization are increasing at a fast pace. The governments in these countries are often constrained by limited technical and financial capabilities, which prevent them from effectively addressing these problems. There is a limited participation from the private players too in terms of setting up of waste recycling units. The present study aims at identifying various barriers that challenge the establishment of these units, specific to India. Further, it attempts to identify the most influential barriers by utilizing multicriterion decision-making tools of interpretive structural modeling (ISM) and decision-making trail and evaluation laboratory (DEMATEL). The findings of the study suggest that the lack of funds, input material, and subsidy are the most influential barriers that are needed to be addressed for the development of waste recycling infrastructure in India.

Implications: This work has been carried out to address the problem of proper waste management in India. To deal with this problem, the method of waste recycling has been felt appropriate by the government of various countries, including India. Therefore, the barriers that play vital role in waste recycling for private players have been identified and their importance has been established with the help of ISM and DEMATEL methods. Doing so will assist the government to take appropriate steps for the betterment of waste recycling infrastructure in India and enhance waste management.     

Facile fabrication of hybrid titanium(IV) isopropoxide/pozzolan nanosheets (TnS-Pz) of high photocatalytic activity: characterization and application for Cr(VI) reduction in an aqueous solution

Environmental Science and Pollution Research - This paper presents the synthesis of a hybrid material through the use of natural pozzolan and titanium(IV) isopropoxide using the sol-gel method and...