bluuebunny/crossref_metadata_2025_split huggingface dataset:
Linear free-energy relationship analysis of the fate of chlorinated 1- and 2-carbon compounds by redox-manipulated smectite clay minerals
Authors: Cervini-Silva Javiera 
Published: November 2004

Abstract
This paper expands on earlier work on the effect of molecular structure on the fate of a series of chlorinated 1-and 2-carbon compounds (RCl), including carbon tetrachloride, 1,1,1-trichloroethane, 1,1,2,2-tetrachloroethane, pentachloroethane, hexachloroethane, trichloroethene, tetrachloroethene, trichloronitromethane, and trichloroacetonitrile, in the presence of unaltered (SWa-U) and reduced (SWa-R) ferruginous smectite. A linear free-energy relationships (LFERs) analysis was conducted to explain kinetic data for RCl adsorption and dechlorination. Correlation analyses based on RCl hydration energies, hydrolysis rate constants, or bond dissociation energies were significant (r2 &gt; 0.87) for RCl adsorption by SWa-R but not so for RCl adsorption by SWa-U (r2 &lt; 0.5). The most statistically significant relationships describing RCl kinetic data were achieved using multivariable regression analysis including RCl hydration energies (or hydrolysis rate constant) and bond dissociation energies for RCl heterolysis. The outcome of this study indicates that the oxidation state of structural Fe in the clay strongly influences RCl hydration. A mechanism consistent with the present LFERs analysis corresponds to RCl hydration as the limiting step for adsorption and dechlorination by redox-manipulated smectites.
Effects of dissolved organic carbon concentration and source, pH, and water hardness on chronic toxicity of copper to Daphnia magna
Authors: De Schamphelaere Karel A. C. , Janssen Colin R. 
Published: November 2004

Abstract
The effects of pH (5.3–8.7), water hardness (CaCO3 at 25–500 mg/L), dissolved organic carbon (DOC) concentration (1.6–18.4 mg/L), and DOC source on the chronic toxicity of copper to Daphnia magna were investigated by using a multifactorial, central composite test design. Natural dissolved organic matter (DOM) was collected at three sites in Belgium and The Netherlands by using reverse osmosis. For a total number of 35 toxicity tests performed, 21-d no-observed-effect concentrations (NOECs) of copper based on reproduction ranged from 29.4 to 228 μg/L and 21-d concentrations of copper causing 50% reduction of reproduction (EC50s) ranged from 41.5 to 316 μg/L. Statistical analysis revealed that DOC concentration and pH had a significant effect on copper toxicity but hardness (at the levels tested) did not. In general, an increase in pH or DOC resulted in a linear increase of 21-d NOEC and EC50 values. All DOMs (originating from three different sources) reduced copper toxicity to the same extent. Multiple linear regression analysis on the results of all 35 toxicity tests revealed that DOC concentration is the most important factor for chronic toxicity of copper to D. magna, explaining about 60% of the observed variability, whereas pH only explained about 15% of the observed variability. Regression models were developed (with DOC and pH as parameters) that were capable of predicting NOECs and EC50s within a factor of 1.9 from observed NOEC and EC50 values obtained with eight natural surface waters spiked with copper. Until future research further elucidates the mechanisms underpinning the observed bioavailability relations, these empirical regression models can become a first simple tool for regulatory applications.
Comparing the solid phase and saline extract Microtox® assays for two polycyclic aromatic hydrocarbon-contaminated soils
Authors: Acheson Carolyn M. , Zhou Qin , Shan Yonggui , Sayles Gregory D. , Kupferle Margaret J. 
Published: November 2004

Abstract
The performance of remedial teatments is typically evaluated by measuring the concentration of specific chemicals. By adding toxicity bioassays to treatment evaluations, a fuller understanding of treatment performance is obtained. The solid phase Microtox® assay is a useful tool in characterizing the toxicity of contaminated soils and sediments. This study compares the performance of the solid phase and saline extract Microtox assays in two experiments using two soils contaminated with polycyclic aromatic hydrocarbons (PAHs). The first experiment, conducted to refine the solid phase assay procedures, evaluated sample holding times, sample replication, and reference toxicant controls. The effective concentration reducing light emission by 50% (EC50) of four samples was measured with eight replicates of each sample. Samples were stored for as long as two weeks without showing substantial changes in toxicity. For future studies, three replicates of each sample are recommended because that degree of replication yielded a statistical power of more than 95% in most samples. Phenol was a reliable reference toxicant with a mean EC50 of 21.76 and a 95% confidence interval of 15.6 to 27.9 mg/L. In a second experiment, the solid phase Microtox assay was compared to saline extract Microtox assays with mixing times ranging from 5 min to 16 h. The solid phase assay was more sensitive yielding EC50s 7 to 50 times lower than the extract EC50s. In addition, the saline extract assays displayed results that varied for mixing times of less than 2 h. Based on these two experiments, the solid phase Microtox test has proved to be a useful assay for measuring the toxicity of PAH-contaminated soils.
Development and field validation of a biotic ligand model predicting chronic copper toxicity to Daphnia magna
Authors: De Schamphelaere Karel A.C. , Janssen Colin R. 
Published: November 2004

Abstract
In this study, we developed a toxicity model predicting the long-term effects of copper on the reproduction of the cladoceran Daphnia magna that is based on previously reported toxicity tests in 35 exposure media with different water chemistries. First, it was demonstrated that the acute copper biotic ligand model (BLM) for D. magna could not serve as a reliable basis for predicting chronic copper toxicity. Consequently, BLM constants for chronic exposures were derived by multiple regression analysis of 21-d median effective concentrations (EC50s; expressed as Cu2+ activity) versus physicochemistry from a large toxicity dataset and the results of an additional experiment in which the individual effect of sodium on copper toxicity was investigated. The effect of sodium on chronic toxicity (log KNaBL = 2.91) seemed to be similar to its effect on acute toxicity (log KNaBL = 3.19). However, in contrast to the acute BLM, no significant calcium, magnesium, or combined competition effect was observed, and an increase in proton competition and bioavailability of CuOH+ and CuCO3 complexes was noted. Some indirect evidence was also found for some limited toxicity of complexes of copper with two of three tested types of dissolved organic matter. Because the latter was only a minor effect, this factor was not included in the chronic Cu BLM. The newly developed model performed well in predicting 21-d EC50s and no-observed-effect concentrations in natural water samples: 79% of the toxicity threshold values were predicted within a factor of two of the observed values. It is clear, however, that more research is needed to provide information on the exact mechanisms that have resulted in different BLM constants for chronic exposures (as opposed to acute exposures). It is suggested that the developed model can contribute to the improvement of risk assessment procedures of copper by incorporating bioavailability of copper in these regulatory exercises.
Bioluminescence inhibition assays for toxicity screening of wood extractives and biocides in paper mill process waters
Authors: Rigol Anna , Latorre Anna , Lacorte Silvia , Barceló Damià 
Published: November 2004

Abstract
The risk associated with wood extractives, biocides, and other additives in pulp and paper mill effluents was evaluated by performing a characterization of process waters and effluents in terms of toxicity and chemical analysis. The individual toxicity of 10 resin acids, two unsaturated fatty acids, and three biocides was estimated by measuring the bioluminescence inhibition with a ToxAlert® 100 system. Median effective concentration values (EC50) of 4.3 to 17.9, 1.2 to 1.5, and 0.022 to 0.50 mg/L were obtained, respectively. Mixtures of these three families of compounds showed antagonistic effects. Chemical analysis of process waters was performed by liquid chromatography-and gas chromatography-mass spectrometry. Biocides such as 2-(thiocyanome-thylthio)-benzotiazole (TCMTB) (EC50 = 0.022 mg/L) and 2,2-dibromo-3-nitrilpropionamide (DBNPA) (EC50 = 0.50 mg/L) were the most toxic compounds tested and were detected at concentrations of 16 and 59 μg/L, respectively, in a closed-circuit recycling paper mill. Process waters from kraft pulp mills, printing paper mills, and packing board paper mills showed the highest concentration of resin acids (up to 400 μg/L) and accounted for inhibition percentages up to 100%. Detergent degradation products such as nonylphenol (NP) and octylphenol (OP) and the plasticizer bisphenol A (BPA) were also detected in the waters at levels of 0.6 to 10.6, 0.3 to 1.4, and 0.7 to 187 μg/L, respectively. However, once these waters were biologically treated, the concentration of detected organic compounds diminished and the toxicity decreased in most cases to values of inhibition lower than 20%.
Bioconcentration of inorganic and organic thallium by freshwater phytoplankton
Authors: Twiss Michael R. , Twining Benjamin S. , Fisher Nicholas S. 
Published: November 2004

Abstract
Uptake of inorganic Tl(I) and dimethylthallium, (CH3)2Tl+, by Chlorella spp. (Chlorophyta) and the diatom Stephan-odiscus hantzschii (Heterokontophyta) were measured using radio-tracer techniques in water from Lakes Erie and Superior (North America). Uptake of both Tl(I) and dimethylthallium was bioactive. Uptake of [204Tl]-Tl(I) was greater in Lake Superior water than in Lake Erie water due to the greater K content in Lake Erie that inhibits Tl(I) uptake by phytoplankton but not that of [204Tl]-dimethylthallium. Volume-based bioconcentration factors for Tl(I) after 72 h of exposure were 5 × 104 and 1.1 × 104 for Chlorella sp. and S. hantzschii; for dimethylthallium they were 7.8 × 102 and 8.3 × 103. Both Tl(I) and Tl(III) were concentrated similarly by Chlorella spp. These results suggest that chlorophytes, but not diatoms, accumulate Tl(I) to a greater extent than dimethylthallium. Greater bioaccumulation factors of inorganic Tl are possible in waters containing low amounts of K+; water quality guidelines seeking to protect biota from deleterious effects of Tl should consider the role of K.
Endangered Vancouver Island marmots (Marmota vancouverensis): Sentinels of atmospherically delivered contaminants to British Columbia, Canada
Authors: Lichota Gillian B. , Mcadie Malcolm , Ross Peter S. 
Published: November 2004

Abstract
We characterized legacy and new contaminants in the highly endangered Vancouver Island (British Columbia, Canada) marmot and found generally low blood and fat concentrations of a complex mixture of pesticides, polychlorinated biphenyls (PCBs), -dibenzo-p-dioxins (PCDDs), -dibenzofurans (PCDFs), polybrominated biphenyls (PBBs), polybrominated diphenyl ethers (PBDEs), and polychlorinated naphthalenes (PCNs) in their tissues. The dominance of the more volatile α-hexachlorocyclohexane (HCH) and hexachlorobenzene (HCB) pesticides and the lesser chlorinated PCB congeners suggests that atmospheric processes largely explain the contamination of this high-altitude herbivore.
Caged midge larvae (Chironomus riparius) for the assessment of metal bioaccumulation from sediments in situ
Authors: Bervoets Lieven , Meregalli Giovanna , De Cooman Ward , Goddeeris Boudewijn , Blust Ronny 
Published: November 2004

Abstract
First-stage larvae of the midge Chironomus riparius were exposed in small enclosures at 19 sites located in three different river basins in Flanders (Belgium). Sediments were sampled and sieved at 200 μm at all exposure sites. A layer of approximately 2 cm of sediment was placed in each cage and 100 midge larvae were added. Cages were placed in watercourses where resident midge larvae were present. Accumulation of Cd, Cr, Cu, Pb, Ni, and Zn was determined after four weeks of exposure when larvae had reached the fourth stage. Comparing metal levels between caged and resident larvae revealed no significant differences. A significant correlation between metal levels in caged and resident larvae was found when all sites were considered. However, such correlation was low (r2 = 0.28) for Pb. The highly significant r2 values found for Cu and Ni probably were due to only one site. Metal levels in tissue were related to levels in water and sediment, taking into account some sediment characteristics (particle size distribution and organic carbon) and oxygen level in the water. To determine the relative importance of these different sediment factors contributing to the variation in metal accumulation by the chironomids, nonlinear regression models were constructed. With the models used, 56.1, 32.2, and 57.4% of the variation for Cd, Pb, and Zn, respectively, could be described. None and 26.9% of the variation could be described for Cu and Ni, respectively. Among the environmental factors, organic carbon and oxygen levels in water were important in describing the accumulation of metals.
Effect of sediment on the fate of metolachlor and atrazine in surface water
Authors: Rice Pamela J. , Anderson Todd A. , Coats Joel R. 
Published: November 2004

Abstract
In aquatic environments, pesticides can partition between the dissolved phase and particulate phase depending on the type of suspended sediment present and the physical and chemical properties of the pesticides and water. Particulate matter and sediment can alter the bioavailability of contaminants to organisms and therefore influence their toxicity and availability for microbial degradation. Experiments were conducted to determine the degradation of atrazine (6-chloro-N-ethyl-N′-(1-methylethyl)-1,3,5-triazine-2,4-diamine) and metolachlor (2-chloro-N-(2-ethyl-6-methylphenyl)-N-(methooxyprop-2-yl)acetamide) in surface water, and to evaluate the contribution of sediment to their dissipation. Sediment significantly reduced concentrations of atrazine and metolachlor in the surface water as a result of greater degradation, evident by increased quantities of degradates in the surface water, and the partitioning of the herbicide or herbicide degradates in the sediment. First-order 50% dissipation time (DT50) values for atrazine and metolachlor were 42 and 8 d in the surface water-sediment incubation systems, which were almost four times less than the DT50s calculated for the sediment-free systems. The results of this research illustrate the importance of sediment in the fate of pesticides in surface water. Greater comprehension of the role of sediment to sequester or influence degradation of agrichemicals in aquatic systems will provide a better understanding of the bioavailability and potential toxicity of these contaminants to aquatic organisms.
Comparative effects of pH and Vision® herbicide on two life stages of four anuran amphibian species
Authors: Edginton Andrea N. , Sheridan Patrick M. , Stephenson Gerald R. , Thompson Dean G. , Boermans Herman J. 
Published: November 2004

Abstract
Vision®, a glyphosate-based herbicide containing a 15% (weight:weight) polyethoxylated tallow amine surfactant blend, and the concurrent factor of pH were tested to determine their interactive effects on early life-stage anurans. Ninety-six-hour laboratory static renewal studies, using the embryonic and larval life stages (Gosner 25) of Rana clamitans, R. pipiens, Bufo americanus, and Xenopus laevis, were performed under a central composite rotatable design. Mortality and the prevalence of malformations were modeled using generalized linear models with a profile deviance approach for obtaining confidence intervals. There was a significant (p &lt; 0.05) interaction of pH with Vision concentration in all eight models, such that the toxicity of Vision was amplified by elevated pH. The surfactant is the major toxic component of Vision and is hypothesized, in this study, to be the source of the pH interaction. Larvae of B. americanus and R. clamitans were 1.5 to 3.8 times more sensitive than their corresponding embryos, whereas X. laevis and R. pipiens larvae were 6.8 to 8.9 times more sensitive. At pH values above 7.5, the Vision concentrations expected to kill 50% of the test larvae in 96-h (96-h lethal concentration [LC50]) were predicted to be below the expected environmental concentration (EEC) as calculated by Canadian regulatory authorities. The EEC value represents a worst-case scenario for aerial Vision application and is calculated assuming an application of the maximum label rate (2.1 kg acid equivalents [a.e.]/ha) into a pond 15 cm in depth. The EEC of 1.4 mg a.e./L (4.5 mg/L Vision) was not exceeded by 96-h LC50 values for the embryo test. The larvae of the four species were comparable in sensitivity. Field studies should be completed using the more sensitive larval life stage to test for Vision toxicity at actual environmental concentrations.
Assessing structural and functional plankton responses to carbendazim toxicity
Authors: Slijkerman Diana M.E. , Baird Donald J. , Conrad Anne , Jak Robbert G. , van Straalen Nico M. 
Published: November 2004

Abstract
A model ecosystem experiment was conducted to investigate the ability of an in situ Daphnia magna feeding bioassay to assess impairment of ecosystem function. Animals were deployed in model ecosystems dosed with different concentrations of the fungicide carbendazim, and effects on the postexposure feeding rate of D. magna were compared with effects on zooplankton species richness (ecosystem structure) and development of phytoplankton biomass (ecosystem function). In the medium-dosed systems (21 μg/L), a structural change was observed within the zooplankton community, but no indirect effects on phytoplankton development were detected. It appears that at this treatment level, functional redundancy was sufficient to prevent functional impairment despite species loss. The feeding assay did not show any response at this concentration. In the high-dosed systems (221 μg/L), structural changes in the zooplankton community were accompanied by increased development of phytoplankton biomass. The feeding bioassay also showed a significant response at this concentration. At the high treatment level, species loss resulted in functional impairment, indicating that at this level, functional redundancy could not compensate for loss of individuals. The D. magna feeding bioassay matched well with the functional response (i.e., the indirect effects on phytoplankton) in the dosed systems but not with the more subtle effects on zooplankton community structure. These results lend positive support to the use of in situ feeding bioassays in combination with structural indices, such as species richness, to assess the effects of stress on ecosystem functioning in a direct way.
Development of a coupled metal speciation-fate model for surface aquatic systems
Authors: Bhavsar Satyendra P. , Diamond Miriam L. , Evans Les J. , Gandhi Nilima , Nilsen Joel , Antunes Paula 
Published: November 2004

Abstract
A coupled metal transport and speciation model (TRANSPEC) has been developed for surface aquatic systems that explicitly considers the influence of metal speciation on fate. The TRANSPEC, which is general to most metal and surface aquatic systems, is constructed by sequentially coupling the speciation/complexation module (in this application MINEQL+) with the fugacity/aquivalence approach for the fate calculations. This model formulation increases the mechanistic detail, predictive power, and fidelity to reality of current fugacity-aquivalence fate models for metals by estimating aqueous speciation and complexation, rather than relying on empirically derived partition coefficients. A pseudo-steady state version of TRANSPEC was used to simulate Zn dynamics in Ross Lake (Flin Flon, MB, Canada) that received elevated metal and organic matter inputs for over 50 years. Field studies revealed that ZnS forms soluble ZnL, Zn2+, and ZnSO40 increasing pore water concentrations when surficial sediments turn oxic during fall. The model results for three seasonal scenarios suggest that Zn remobilization is driven by resuspension of insoluble ZnS and the contribution of diffusion is negligible, even during fall when ZnS dissolves to increase the concentration of soluble species under oxic conditions in the sediments. The low diffusive flux is due to the binding of Zn to colloidal dissolved organic matter (DOM) for which sediment-water diffusion is relatively slow, a result that was obtained as a result of considering metal speciation in the fate calculations.
Fate and stability of 14C-labeled 2,4,6-trinitrotoluene in contaminated soil following microbial bioremediation processes
Authors: Weiß Martin , Geyer Roland , Günther Thomas , Kaestner Matthias 
Published: November 2004

Abstract
Biological treatment of 2,4,6-trinitrotoluene (TNT) in soil rarely results in complete mineralization of the parent compound. More often, the largest proportion of the TNT carbon is incorporated into the soil organic matrix. Therefore, we evaluated the stability of nonextractable residues from various bioremediation processes of 14C-TNT in soils. The extractable amounts of the residual radioactivity varied between 7 and 33% and thus the nonextractable amount between 93 and 67% (3–15% in fulvic acids, 26–46% in humic acids, and 27–44% in the humin fraction). The residue-containing soils were analyzed for the release of radioactivity after treatment by physical (freeze and thaw, grinding of soil, and steam extraction), chemical (acid rain and addition of metal complexing agent), and biological methods (addition of compost, white rot fungi, radical-generating enzymes, and germination of plants). Freeze and thaw treatment and grinding of the soil did not alter the partitioning of the label significantly. Steam extraction and acid rain extraction increased the water extractability to 11 to 29% and to 51.6% in the native TNT-contaminated soil. The addition of ethylenediamine-tetraacetate (EDTA) increased the extractability from 7 to 12%. After biological treatment, only slightly increased extractability (&lt;&lt;10%) was observed. No increase of extractable TNT or known metabolites was observed with any of the treatments. Thus, under the treatment conditions applied in this study, the residues formed during microbial transformation of TNT may be biogenic residues with low mobilization potential and low hazardous impact.