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Modelling leaching of inorganic Hg(II) in a Scandinavian iron-humus podzol — validation and long-term leaching under various deposition rates
1997
Schlüter, K. | Gäth, S.
Increasing mercury contents are reported from freshwater systems and fish in northern Europe and North America. Mercury input from soils is a major source with the leaching being affected by increased atmospheric mercury deposition compared to pre-industrial times and by other environmental conditions such as acid rain. The results of a mathematical model-calculation of vertical inorganic Hg(II) leaching in a Scandinavian iron-humus podzol under different atmospheric input rates of mercury are presented. Leaching under background rain conditions was calculated to be considerably stronger than under acid rain conditions. Increasing fractions of deposited soluble or solute atmospheric mercury were leached from the Of₍ₕ₎-horizon with decreasing soil content of soluble mercury under acid rain conditions; this effect was less pronounced under background rain conditions. The steady state concentrations of soluble mercury of the upper soil horizons were calculated and compared with the actual concentrations of total (= soluble + insoluble mercury) and extractable (= estimate of soluble) mercury measured in these horizons. The results indicate that even if the deposition of airborne mercury to soil is strongly reduced, the total mercury content of the soil decreases only slowly. It may take decades or even centuries before a new steady state concentration of total mercury is established in the soil. The decrease of the mercury concentration in the Of₍ₕ₎-horizon is probably largely dependent on the turnover of organic matter, binding most of the deposited airborne mercury in an insoluble form. Hence, present day mercury leaching is likely to be dominated by mercury deposited during former times and temporarily retained in an insoluble form in the organic matter.
Mostrar más [+] Menos [-]Possibilities for increased carbon sequestration through the implementation of rational forest management in Russia
1997
Shvidenko, Anatoly | Nilsson, Sten | Roshkov, Vjacheslav
Huge areas of the Russian forests suffer from insufficient forest management. A scenario has been developed for an improved management program that would be implemented over the next 40 years. Possible options have been aggregated into three interlinked groups: increase in forest productivity through improvement of the forest conditions and the structure of the Forest Fund, decrease of carbon release by mitigation of disturbance regimes, and improvement of landscape management. One prerequisite in developing this scenario was that the cost of sequestering one ton of carbon should not exceed US$3 (1992 dollar value). In this article a simple model is described to illustrate the following possibilities for increased carbon fixation by improved forest management: large-scale reforestation and afforestation, replacement of stands with low productivity and replacement of so called soft deciduous species and “climax” stands, and implementation of rational silviculture (thinning). The results indicate a potential for an increase in carbon fixation in Russian forest ecosystems of 24.4 Pg over 100 years, after the first year that the actions discussed are implemented. The net sink of carbon was determined to be 16.5 Pg in the “low” estimate and 42.5 Pg in the “high” estimate. There are, however, many uncertainties in the data and there are difficulties in adequately modeling the possibilities for implementation under current conditions in Russia. In spite of these uncertainties, we conclude that there is great potential for economically justified increased carbon fixation through improved forest management in Russia.
Mostrar más [+] Menos [-]The internal barriers of rotation for the 209 polychlorinated biphenyls
1997
Andersson, Patrik L. | Haglund, Peter | Tysklind, Mats
The internal barrier of rotation (Erot) was calculated for all 209 polychlorinated biphenyls (PCBs) by using a semi-empirical method, viz. the Austin Model 1 (AMI) Hamiltonian. The difference in total energy between a forced planar state and an optimised twisted structure was defined as Erot. The Erot values were in the range of 8.33 to 483 kj/mol, and were significantly influenced by the number of chlorine atoms inortho position. An additional structural characteristic of the PCBs influencing Erot ofortho substituted congeners was substitution by chlorine atoms in vicinalmeta positions, which is assumed to prevent outward bending ofortho substituents. This so-called buttressing effect contributed with 4 to 31 kj/mol per added chlorine atom. In conclusion, the internal barrier of rotation, calculated for all 209 PCBs, provides an important structure dependent physico-chemical parameter for multivariate modelling of future quantitative structure-activity and structure-property relationships (QSARs/QSPRs).
Mostrar más [+] Menos [-]Polar narcosis: Designing a suitable training set for QSAR studies
1997
Ramos, Eñaut Urrestarazu | Vaes, Wouter H. J. | Verhaar, H. J. M. | Hermens, Joop L. M.
Substituted phenols, anilines, pyridines and mononitrobenzenes can be classified as polar narcotics. These chemicals differ from non-polar narcotic compounds not only in their toxic potency (normalized by log Kₒw), but also in their Fish Acute Toxicity Syndrome profiles, together suggesting a different mode of action.For 97 polar narcotics, which are not ionized under physiological conditions, 11 physico-chemical and quantum-chemical descriptors were calculated. Using principal component analysis, 91 % of the total variance in this descriptor space could be explained by three principal components which were subsequently used as factors in a statistical design. Eleven compounds were selected based on a two-level full factorial design including three compounds near the center of the chemical domain (a 2³+3 design).QSARs were developed for both the design set and the whole set of 63 polar narcotics for which guppy and/or fathead minnow data were available in the literature. Both QSARs, based on partial least squares regression (3 latent variables), resulted in good models (R²=0.96 and Q²=0.82; R²=0.86 and Q²=0.83 respectively) and provided similar pseudo-regression coefficients. In addition, the model based on the design chemicals was able to predict the toxicity of the 63 compounds (R² =0.85).Models show that acute fish toxicity is determined by hydrophobicity, HOMO-LUMO energy gap and hydrogen-bond acceptor capacity.
Mostrar más [+] Menos [-]Fractal and multifractal approach to environmental pollution
1997
Salvadori, Giaufausto | Ratti, Sergio P. | Belli, Giuseppe
A few case studies will be presented involving both radioactive and chemical pollution at small, medium, and large space-time scales. Reported are recent advances in the field of environmental pollution involving the use of fractals and multifractals. The mathematical tools proposed here may offer new perspectives for investigating many of the problems of nonlinear variability which commonly arise when dealing with pollutants, such as the presence of outliers and the sparseness of the sampling networks. They may also lead to a simplification of the models adopted for studying natural phenomena, thanks to a scaling approach. Finally, they may provide parameters whose values are directly related to the nonlinear dynamics involved in the pollutant distribution in the environment which, in turn, may be relevant for computer simulation and epidemiological or risk assessment purposes.
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