A computationally feasible quantum chemical model for 13C NMR chemical shifts of PCB-derived carboxylic acids

Two quantum chemical models have been derived for the prediction of 13C NMR chemical shifts of novel PCB acids obtained from PCBs by catalytic carbonylation. 13C isotropic shielding constants were calculated employing the GIAO (gauge-independent atomic orbital) method with density functional theory (DFT). The best results were obtained by cluster calculations, which took the solvent effects into account properly. In this approach, a solvent molecule (acetone) was attached by a hydrogen bond to every hydrogen atom present in a PCB acid, and the geometry of the molecular cluster was optimized employing the AM1 method. For 158 chemical shifts, the cross-validated standard error was 2.8 ppm and the cross-validated correlation coefficient was 0.94.     

Dissolution of resin acids, retene and wood sterols from contaminated lake sediments

The dissolution potency of hydrophobic resin acids (RAs), retene and wood sterols from sediments was studied. These wood extractives and their metabolites are sorbed from pulp and paper mill effluents to downstream sediments. With harmful components like these, sediments can pose a hazard to the aquatic environment. Therefore, sediment elutriates with water were produced under variable conditions (agitation rate and efficiency, time), and concentrations of the dissoluted compounds were analyzed. Both naturally contaminated field sediments and artificially spiked sediments were studied. By vigorous agitation RAs can be released fast from the sediment matrix and equilibrium reached within 3 days. Compared to RAs, desorption of retene from lake sediment was slower and did not completely reach equilibrium in 23 days. Sterols spiked to pristine sediment with a 33-day contact time desorbed faster than those associated authentically with industrial sediment of from a contaminated lake. Simulating the water turbulence adjacent to a sediment surface by low and high rate of agitation in the laboratory, an increase in the mixing rate after 43-day elutriation suddenly released a high amount of wood sterols. The results indicate wide variation between hazardous chemicals in their tendency to dissolution from sediment solids. Erosion and hydrology adjacent to the sediment surface, as well as risks from dredging activities of sediments, may expose lake biota to bioactive chemicals.     

Influences of elevated ozone and carbon dioxide in growth responses of lowland hay meadow mesocosms

We studied the effects of relatively low levels of O(3) (40-50 ppb) and CO(2)-enrichment (+100 ppm) on a northern European lowland hay meadow during the summers 2002-2004 using open-top chambers (OTCs) and ground-planted mesocosms. Ozone reduced the aboveground biomass of the community (up to 40%), and four out of seven species (Campanula rotundifolia, Fragaria vesca, Trifolium medium, Vicia cracca) showed either significant growth reduction and/or visible injuries under elevated O(3). However, the reductions in aboveground biomass were not reflected as changes in the dominance of different functional groups or in the total community root biomass. Elevated CO(2) did not amend the detrimental effects of O(3) on aboveground biomass. Elevated CO(2) alone had only minor effects. An O(3)-induced reduction in the aboveground biomass and N pool of the community are likely to have important consequences in the nutrient cycling of the ecosystem.     

Sediment phosphorus extractants for phosphorus-31 nuclear magnetic resonance analysis: a quantitative evaluation

The influence of pre-extractant, extractant, and post-extractant on total extracted amounts of P and organic P compound groups measured with 31P nuclear magnetic resonance (31P-NMR) in lacustrine sediment was examined. The main extractants investigated were sodium hydroxide (NaOH) and sodium hydroxide ethylenediaminetetraacetic acid (NaOH-EDTA) with bicarbonate buffered dithionite (BD) or EDTA as pre-extractants. Post extractions were conducted using either NaOH or NaOH-EDTA, depending on the main extractant. Results showed that the most efficient combination of extractants for total P yield was NaOH with EDTA as pre-extractant, yielding almost 50% more than the second best procedure. The P compound groups varying the most between the different extraction procedures were polyphosphates and pyrophosphates. NaOH with BD as pre-extractant was the most efficient combination for these compound groups.     

Distribution of Carabid Beetles (Coleoptera, Carabidae) across a Boreal Forest–Clearcut Ecotone

Abstract: We studied the occurrence of carabid beetles (Coleoptera, Carabidae) in boreal forest fragments, their edges, and adjacent clearcuts in central Finland. Beetles were collected with pitfall traps along transects extending 60 m from the edge into clearcuts and 60 m into forest interior. Our main findings were that (1) species richness was significantly higher in the clearcut than in the forest fragments, (2) clearcuts hosted many open-habitat species, which increased overall species richness in these sites, (3) carabid assemblages in the edges were more similar to forest assemblages than to those found in the clearcuts, (4) no edge specialists were found, and (5) open-habitat species did not penetrate into the forest fragments from the clearcut. Because forest specialists occurred all the way to the edge on the forest side, it seems that edge effects per se do not adversely affect these species, at least in the short term. In the long term, however, habitat conditions in the edges may deteriorate for interior species because of trees falling over in strong winds, thereby reducing the size of the fragments and widening the edge zone.     

Environmental assessment of incinerator residue utilisation

Incineration ashes may be treated either as a waste to be dumped in landfill, or as a resource that is suitable for re-use. In order to choose the best management scenario, knowledge is needed on the potential environmental impact that may be expected, including not only local, but also regional and global impact. In this study, A life cycle assessment (LCA) based approach was outlined for environmental assessment of incinerator residue utilisation, in which leaching of trace elements as well as other emissions to air and water and the use of resources were regarded as constituting the potential environmental impact from the system studied. Case studies were performed for two selected ash types, bottom ash from municipal solid waste incineration (MSWI) and wood fly ash. The MSWI bottom ash was assumed to be suitable for road construction or as drainage material in landfill, whereas the wood fly ash was assumed to be suitable for road construction or as a nutrient resource to be recycled on forest land after biofuel harvesting. Different types of potential environmental impact predominated in the activities of the system and the use of natural resources and the trace element leaching were identified as being relatively important for the scenarios compared. The scenarios differed in use of resources and energy, whereas there is a potential for trace element leaching regardless of how the material is managed. Utilising MSWI bottom ash in road construction and recycling of wood ash on forest land saved more natural resources and energy than when these materials were managed according to the other scenarios investigated, including dumping in landfill.     

Prenatal diagnosis of a de novo supernumerary marker derived from chromosome 16

Marker chromosomes are supernumerary chromosomes of unknown origin and are seldom found in prenatal diagnosis. Application of fluorescent in situ hybridization (FISH) allows the identification of the chromosomal origin of markers. Estimation of the risk of an abnormal phenotype outcome can be enabled by collecting data on phenotypes associated with markers of the same chromosomal origin. So far only very few cases of prenatal diagnosis of de novo supernumerary markers derived from chromosome 16 have been reported. Here the prenatal diagnosis of a de novo supernumerary marker chromosome 16 is described and the relevant literature discussed. Copyright © 2001 John Wiley & Sons, Ltd.