Reverse quantitative structure-activity relationship for modelling the sorption of esfenvalerate to dissolved organic matter. A multivariate approach

The sorption of the pyrethroid, esfenvalerate, to the dissolved and/or dispersed fraction of eight different natural humic compounds has been investigated. The dissolved organic matters (DOMs) included in this study originate from ground water, soil pore water, and surface waters. Sorption was modelled at DOM concentration levels where equilibrium partitioning of esfenvalerate between DOM and the aqueous bulk phase prevails. The inherent characteristics of the eight different humic materials, quantified in the preceding paper by Thomsen et al. (2002, this issue (PII: S0045-6535(02)00335-1)), have been used as explanatory variables for modelling this equilibrium partitioning. Using a reverse QSAR approach based on by projection-into-latent-structure regression (PLS-R) inherent sorbent properties determining for the sorption affinity of esfenvalerate to DOM were analysed. For all humic substances a decrease in the DOM-normalised equilibrium-partitioning coefficient, K_DOM, with increasing concentration of DOM was observed. Significant variations in K_DOM values, as function of the inherent characteristics of the individual humic substances, were found at DOM concentrations of 75 and 100 ppm, respectively. The latter is a strong indication of variations in sorption mechanisms of esfenvalerate to DOM of varying inherent properties. Groupings in the principal property space quantifying DOMs may indicate that separate models are needed for quantifying the equilibrium partitioning to different classes of DOM.     

Prediction of lichen diversity in an UNESCO biosphere reserve – correlation of high resolution remote sensing data with field samples

The present study focuses on developing models to predict lichen species richness in a UNESCO Biosphere Reserve of the Swiss Pre-Alps following a gradient of land-use intensity combining remote sensing data and regression models. The predictive power of the models and the obtained r ranging from 0.5 for lichens on soil to 0.8 for lichens on trees can be regarded as satisfactory to good, respectively. The study revealed that a combination of airborne and spaceborne remote sensing data produced a variety of ecological meaningful variables.     

Integrated exposure monitoring for health risk assessment

Risk estimation and risk evaluation in society are often done separately for pollutants in ambient air, water, food and industrial air. The need for evaluating total exposure is pointed out. Ongoing international programs are referred to. Biological monitoring in combination with environmental monitoring constitutes a promising step towards an integrated exposure monitoring for health risk assessment. The rationale for such an approach is discussed. The need of monitoring not only single substances but a combination of substances is exemplified. A strengthening of the basic research in related fields will widely increase future possibilities for health-related surveillance.     

Phosphorus losses from arable fields in Sweden—effects of field-specific factors and long-term trends

Accelerated eutrophication of surface water is often caused by high phosphorus (P) losses from agricultural fields. Long-term measurements of P concentrations from arable fields are therefore important for understanding of processes and key factors behind losses. Unfortunately, long-time series are difficult to compare due to high variablity, non-normal distribution, precipitation variability and flow relatedness. The objective was to use locally weighted scatterplot smoothing (LOWESS) and Seasonal Kendall Test to account for discharge effects on concentrations of P forms and suspended soil material, and to identify trends for seven agricultural fields included in a Swedish water quality monitoring program. Soil P content and sorption capacity governed concentrations and losses of dissolved reactive phosphorus (DRP). Other factors, such as preferential flow may influence the importance of these factors. Suspended soil material and unreactive phosphorus (UP) concentrations in water discharge depended on soil texture, slope of the field and total soil P content. Statistically significant trends in concentrations of different P forms were found for two fields. These trends are probably a consequence of changes in P additions and soils P saturation levels.     

Consequences and Correctives Related to Lake Acidification, Liming and Mercury in Fish – A Case-Study for Lake Huljesjön, Sweden, Using the LakeWeb-model

This work exemplifies how a given lake (Lake Huljesjön, Sweden) would likely respond to changes in pH-values and to liming (a standard measure against anthropogenic acidification). The basic questions are: How would a liming influence pH? How long would the changes last? How would the changes influence the structure and function of lake ecosystems? The work uses a comprehensive lake ecosystem model, LakeWeb, which accounts for production, biomasses, predation, abiotic/biotic interactions of nine key functional groups of organisms, phytoplankton, bacterioplankton, two types of zooplankton (herbivorous and predatory), two types of fish (prey and predatory), zoobenthos, macrophytes and benthic algae. LakeWeb is a dynamic model and gives weekly variations. It has been critically tested using empirical data and regressions from many lakes. Those tests are not presented here but have shown that the model can capture typical functional and structural patterns in lakes very well. This gives credibility to the results presented in this work, which would be very costly to obtain in the traditional manner by extensive field studies in one or a few lakes. This work presents for the first time predictions at the ecosystem level of how functional groups of organisms (and not individual species) are likely to respond to acidification and liming. Two existing dynamic models, one for liming, the other for Hg-concentrations in fish, have been added to the LakeWeb-model. These two models have previously been tested and proven to yield good predictions. The results presented here indicate that there are several probable changes in the structure and function of the lake foodweb related to acidification and liming. The predicted changes in macrophyte cover will influence the predation pressure on fish, and thereby the fish biomass. Reductions in primary production at low pH-values will cause reductions in fish biomass. There are several interesting compensatory effects between factors that increase fish biomass and factors that tend to decrease the biomass. Such matters can be handled quantitatively by the LakeWeb-model.     

Oxygen saturation trends in the Baltic Sea

Marine monitoring programmes are seldom planned and realized to fulfil the requirements of the statistical methods used. The shortcomings of these methods are rarely discussed in the literature. In this work two different methods for trend analysis are applied to a real case and attention is given to the possible violation of the underlying assumptions. Long-term changes in oxygen supersaturation in the Baltic Sea are the object of the study. Linear regression and non-parametric methods are those chosen. The linear regression gave significantly increasing trends of oxygen saturation in Arkona, Eastern Gotland basin and in the Bothnian Sea, but the tested assumptions turned out to be violated. The corresponding non-parametric trend test only confirmed the increasing trend in Arkona. It is suggested that non-parametric methods, like the one used in this work, should be favoured in the future for similar types of marine environmental data.     

A one year study of the seasonal variations of sDDT and PCB levels in fish from heated and unheated areas near a nuclear power plant

An investigation of the influence of excess heat discharge from a nuclear power plant on the residual levels of the sDOT and PCB in roach and perch has been made during a period of one year. A seasonal variation of the residual concentrations was observed, with the highest levels during spring and early summer and lower more stable levels in the autumn. Significantly higher levels of the sDDT and PCB was observed in perch from the cooling water recipient as compared to values in perch from the intake area. No significant differences could however be verified for roach. The result stress the importance that, in a monitoring program, a sampling period with stable ecological conditions is selected.     

Partition coefficients of organic chemicals derived from reversed phase thin layer chromatography: Evaluation of methods and application on phosphate esters,polychlorinated paraffins and some PCB-substitutes

The application of reversed phase high performance thin layer chromatography has been evaluated for determination of octanol-water partition coefficients (P_oct) of organic chemicals. Best correlations between log P_oct and R_M-values were obtained on a C₁₈-bonded stationary phase using acetone-water or acetonitrile-water mixtures as eluting solvent. The latter mixture is preferred in work with high pressure liquid chromatography. A number of aryl and alkyl/aryl phosphate esters, polychlorinated paraffins and chemicals suggested as PCB-substitutes were chromatographed and the corresponding log P_oct-values calculated. Values for the phosphate esters corresponded reasonably well with previously reported data while data for other, often more complex compound mixtures (eg PCB-substitutes), need further evaluation. The use of the chromatographic system for screening purposes in work on environmentally significant data of possible organic pollutants is discussed.