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71.
72.
Wilczyńska-Piliszek AJ Piliszek S Falandysz J 《Journal of environmental science and health. Part. B》2012,47(7):660-669
In this study the values of subcooled vapor pressures (log P(L)) were estimated for 209 trans chloroazobenzenes (Ct-ABs) that fill some gaps in analytical and experimental data on these compounds. There are 209 chloro derivatives of trans azobenzenes that are relatively stable and more environmentally relevant than 209 chloro cis congeners. The calculations models were based on the Quantitative Structure-Property Relationship (QSPR) scheme using the semi-empirical method (PM6) in molecular package (MOPAC) software and density functional theory (DFT) method using B3LYP functional and 6-311++G** basis set) in Gaussian 03 software method and the artificial neural networks (ANNs) prediction. The values of log P(L) predicted by models used varied between -3.94 to -2.66 for Mono-; -4.85 to -2.97 for Di-; -5.18 to -3.17 for Tri-; -6.02 to -3.77 for Tetra-; -6.64 to -4.64 for Penta-; -7.36 to -4.76 for Hexa-; -7.54 to -5.79 for Hepta-; -7.75 to -6.64 for Octa-; -7.89 to -7.44 for Nona-Ct-Abs; and -8.09 and -8.13 for Deca-Ct-AB. Based on these values Ct-ABs can be grouped localized among relatively low (log P(L) -4 to -2) and low (log P(L) < -4) mobile Persistent Organic Pollutants (POPs). Both the calculation methods employed were characterized by similar prediction ability of subcooled vapor pressure values of Ct-ABs, while those of PM6 are much more efficient due to a cheaper hardware used and around 300-fold less time spent on calculations. 相似文献
73.
Przemysław Bernat Ewa Gajewska Rafał Szewczyk Mirosława Słaba Jerzy Długoński 《Environmental science and pollution research international》2014,21(6):4228-4235
To investigate the response of the tributyltin-degrading fungal strain Cunninghamella elegans to the organotin, a comparative lipidomics strategy was employed using an LC/MS-MS technique. A total of 49 lipid species were identified. Individual phospholipids were then quantified using a multiple reaction monitoring method. Tributyltin (TBT) caused a decline in the amounts of many molecular species of phosphatidylethanolamine or phosphatidylserine and an increase in the levels of phosphatidic acid, phosphatidylinositol and phosphatidylcholine. In the presence of TBT, it was observed that overall unsaturation was lower than in the control. Lipidome data were analyzed using principal component analysis, which confirmed the compositional changes in membrane lipids in response to TBT. Additionally, treatment of fungal biomass with butyltin led to a significant increase in lipid peroxidation. It is suggested that modification of the phospholipids profile and lipids peroxidation may reflect damage to mycelium caused by TBT. 相似文献
74.
Jerzy Falandysz Grażyna Krasińska Sviatlana Pankavec Innocent C. Nnorom 《Journal of environmental science and health. Part. B》2013,48(9):690-695
This paper reports the results of the study of Hg contents of four species of Boletus mushroom (Boletus reticulatus Schaeff. 1763, B. pinophilus Pilát & Dermek 1973, B. impolitus Fr. 1838 and B. luridus Schaeff. 1774) and the surface soils (0–10 cm layer, ~100 g) samples beneath the mushrooms from ten forested areas in Poland and Belarus by cold-vapour atomic absorption spectroscopy. The ability of the species to bioconcentrate Hg was calculated (as the BCF) while Hg intakes from consumption of these mushroom species were also estimated. The median Hg content of the caps of the species varied between 0.38 and 4.7 mg kg?1 dm; in stipes between 0.13 and 2.5 mg kg?1 dm and in the mean Hg contents of soils varied from 0.020 ± 0.01 mg kg?1 dm to 0.17 ± 0.10 mg kg?1 dm which is considered as “background” Hg level. The median Hg content of caps of B. reticulatus and B. pinophilus were up to 4.7 and 3.6 mg kg?1 dm, respectively, and they very efficiently bioaccumulate Hg with median BCF values of up to 130 for caps and 58 for stipes. The caps and stipes of these mushrooms if eaten will expose consumer to elevated dose of total Hg estimated at 1.4 mg for caps of Boletus reticulatus from the Kacze ??gi site, which is a nature reserve area. Nevertheless, the occasional consumption of the valued B. reticulatus and B. pinophilus mushrooms maybe safe. 相似文献
75.
76.
This paper presents accurate predictions of ecologically important properties of nitroaromatic compounds and their derivatives, including vapor pressure, Henry's law constants, water solubility, octanol/water partition coefficients, heats of formation and ionization potentials. The proposed technique of calculations was based on quantum-chemical methods. The relationship between the chemical structure and mentioned physico-chemical parameters of such widespread military produced contaminants as trinitrotoluene and its derivatives was considered. We revealed that the DFT level of theory combined with the COSMO-RS technique is able to predict the studied parameters with an accuracy that results in error bars of less then one logarithmic unit. 相似文献
77.
Wyrzykowska B Hanari N Orlikowska A Bochentin I Rostkowski P Falandysz J Taniyasu S Horii Y Jiang Q Yamashita N 《Chemosphere》2007,67(9):1877-1886
Pine needles were selected as cost effective and easy collectable matrices suitable for long-term monitoring of the lower troposphere pollution with polychlorinated biphenyls and polychlorinated naphthalenes. The fingerprints of PCNs and PCBs in the top layers of agricultural soils were used for determination of point sources of pollution for terrestrial ecosystems. The new idea based on the use of nona- and decachlorinated isomers fingerprint as an additional tool suitable for the identification of potential point sources of pollution with PCBs, seemed to be a capable tool to identify contamination of soil and ambient air related to former manufacturing and the use of highly chlorinated technical PCB preparations. 相似文献
78.
Human health risk assessment case study: an abandoned metal smelter site in Poland 总被引:16,自引:0,他引:16
United States Environmental Protection Agency methodologies for human health risk assessment (HRA) were applied in a Brownfields Demonstration Project on the Warynski smelter site (WSS), an abandoned industrial site at Piekary Slaskie town, Upper Silesia, Poland. The HRA included the baseline risk assessment (BRA) and the development of risk-based preliminary remedial goals (RBPRGs). The HRA focused on surface area covered with waste materials, which were evaluated with regard to the potential risks they may pose to humans. Cadmium, copper, iron, manganese, lead, and zinc were proposed as the contaminants of potential concern (COPCs) at WSS based on archive data on chemical composition of waste located on WSS. For the defined future land use patterns, the industrial (I) and recreational (II) exposure scenarios were assumed and evaluated. The combined hazard index for all COPCs was 3.1E+00 for Scenario I and 3.2E+00 for Scenario II. Regarding potential carcinogenic risks associated with the inhalation route, only cadmium was a contributor, with risks of 1.6E-06 and 2.6E-07 for Scenario I and Scenario II, respectively. The results of the BRA indicated that the potential health risks at WSS were mainly associated with waste material exposure to cadmium (industrial and recreational scenarios) and lead (industrial scenario). RBPRGs calculated under the industrial scenario were 1.17E+03 and 1.62E+03 mg/kg for cadmium and lead, respectively. The RBPRG for cadmium was 1.18E+03 mg/kg under the recreational scenario. The BRA results, as well as RBCs, are comparable for both scenarios, so it is impossible to prioritize land use patterns for WSS based on these results. For choosing a future land use pattern or an appropriate redevelopment option, different factors would be decisive in the decision-making process, e.g., social, market needs, technical feasibility and costs of redevelopment actions or acceptance of local community. 相似文献
79.
Polychlorinated dibenzothiophenes (PCDTs) could be classified as persistent organic pollutants (POPs) in the environment and are particularly interesting due to their structural resemblance to highly toxic dioxins. We show here some basic environmental properties such as n-octanol water (KOW), n-octanol/air (KOA) and air/water (KAW) partition coefficients as well as Henry’s law constants (KH) for all 135 congeners of chlorodibenzothiophene. Predictions were made by regression of principal components (PCR) and with aid of a set of standard chemicals, for which physical–chemical properties are well featured. Computed KOW, KOA, KAW and KH values for mono-CDTs ranged, respectively, between 4.66 and 4.71, 7.48 and 7.55, −2.84 and −2.82, 3.56 and 3.74; for di-CDTs between 5.02 and 5.28, 8.03 and 8.29, −3.01 and −2.95, 2.42 and 2.75; for tri-CDTs between 5.53 and 5.70, 8.65 and 8.87, −3.2 and −3.11, 1.58 and 1.92; for tetra-CDTs between 5.95 and 6.13, 9.27 and 9.50, −3.39 and −3.27, 1.02 and 1.33; for penta-CDTs between 6.38 and 6.51, 9.88 and 10.05, −3.54 and −3.45, 0.72 and 0.88; for hexa-CDTs between 6.83 and 6.97, 10.54 and 10.66, −3.72 and −3.64, 0.47 and 0.56; for hepta-CDTs between 7.28 and 7.35, 11.12 and 11.20, −3.81 and −3.87, 0.33 and 0.38; for octa-CDT 7.74, 11.78, −4.04 and 0.23. An estimated value of the three types of partition coefficient and Henry’s law constants suggest that polychlorinated dibenzothiophenes are lipophilic and semi-volatile persistent organic pollutants. Their mobility in the environment seems to be very similar to that of some well-known POPs such as polychlorinated dibenzofurans, -dibenzo-p-dioxins, and -biphenyls or organochlorine pesticides. 相似文献
80.
In this study, we have examined the effects of synthetic medium ingredients and culture incubation conditions on growth and tributyltin chloride (TBT) degradation activity of the fungus Cunninghamella elegans. The best efficiency of TBT conversion to less toxic derivatives: dibutyltin and monobutyltin was noticed on media which contained glucose, NH(4)Cl, K(2)HPO(4) and MgSO(4). Next, the constructed M3 medium (with the above components) ensured vigorous growth of C. elegans and allowed the reduction of 80% of the initial TBT content (10 mg l(-1)), after 3d of biodegradation. The further acceleration of the biocide utilization by C. elegans was achieved by additional oxygen supply (pO(2) >or = 20%) to the growing fungus (89% after 2d of incubation in the BioFlo II bioreactor). The efficient xenobiotic biodegradation was related to the intensity of fungal growth. The obtained results suggest a cometabolic nature of TBT utilization by C. elegans. 相似文献