Molecular modeling in environmental science∗

Quantum mechanic computer models are often used in chemistry to predict properties of molecules and to simulate reaction pathways. Such models calculate bond lengths, bond angles, dihedral angles, the energy of the molecular‐orbitals (MO's), the dipole moment, the ionisation potential, and the heat of formation. These results lead to detailed information on electronic structures like bond orders, electronic charges and levels of frontier orbitals (HOMO, LUMO).

It is possible to calculate properties of ground state molecules as well as ionic and radicalic structures, or reaction intermediates and other compounds with very short lifetimes.

From the exact knowledge of electronic structure, frontier orbitals, and reaction intermediates it is possible to predict stability of chemicals in the environment but also of fictive chemicals, which are not yet synthesized. Some authors have shown that there are correlations between electronic structure and toxicity.

The most interesting models for environmental chemistry are semiempirical models, such as MINDO, MNDO or MOPAC. Theses programs are able to handle molecules with 30 and more heavy atoms (all elements without hydrogen), and it is possible to install them on main frame computers (CPU‐time several minutes to hours) and on personal computers, with coprocessors (CPU‐time several hours to a few days).

Normally the molecule is read in from a Z‐matrix (a matrix of polar coordinates of atoms connected in the molecule) and with symmetry data. Furthermore, programs are available which create a Z‐matrix from the molecular structure plotted on the screen with a mouse.     

Multielement distribution in different plant organs∗

Different elements were found to accumulate at different levels at different parts of balsam plants. Results on multielement concentrations determined for plant foodstufffs of root, seed and leaf nature and As, Cr and Zn distributions along the stems and roots of balsam plant agree well with the above finding.     

Goitre and environmental iodine deficiency in the UK — Derbyshire: A review

Endemic goitre was prevalent in the population of Derbyshire in the UK for many centuries until it declined from the 1930s. A contemporary medical survey showed that endemicity of goitre was particularly higher in the Carboniferous limestone areas of the Derbyshire-Peak District. Unlike classical goitrous areas of the world, where the distribution of goitre has been found to be related to the iodine content in the environment, there is no such relationship reported for the Derbyshire-Peak District area. The present study reviews the presence of endemic goitre in this area with reference to iodine in different environmental media using past and present data. In comparison with the world average values, the iodine contents in the soil and sediment in the Peak District are not deficient, but compared to England, Wales and Scotland averages, these levels are low. As no information on the mobility and bioavailability of iodine of this area is available, a cautious approach is necessary before any assumption is made on the aetiology of endemic goitre. The study also discusses some hypotheses relating to the possible cause of endemic goitre in the limestone areas. Further research needs are suggested depending on the land use and geochemistry of the Peak District to determine the underlying causes of the former endemic goitre in this area.     

Voluntary environmental regulation in developing countries: Mexico’s Clean Industry Program

Because conventional command-and-control environmental regulation often performs poorly in developing countries, policymakers are increasingly experimenting with alternatives, including voluntary regulatory programs. Research in industrialized countries suggests that such programs are sometimes ineffective, because they mainly attract relatively clean participants free-riding on unrelated pollution control investments. We use plant-level data on more than 100,000 facilities to analyze the Clean Industry Program, Mexico’s flagship voluntary regulatory initiative. We seek to identify the drivers of participation and to determine whether the program improves participants’ environmental performance. Using data from the program’s first decade, we find that plants recently fined by environmental regulators were more likely to participate, but that after graduating from the program, participants were not fined at a substantially lower rate than nonparticipants. These results suggest that although the Clean Industry Program attracted dirty plants under pressure from regulators, it did not have a large, lasting impact on their environmental performance.     

Trace metals in the western Mediterranean Sea∗

Data on Cd, Pb and Cu concentrations in seawater referring to five years of field studies on the western Mediterranean Sea are reported in order to present a space and time integrated situation on the levels of these metals. Surface total metal concentrations present rather homogeneous distributions between the different areas considered, including the Tyrrhenian Sea. The metal concentrations in three areas affected by natural and industrial wastes are also discussed. The vertical distribution of the dissolved Cd, Pb and Cu in the Alboran Sea seems to be rather homogeneous, both vertically and among the stations chosen between the Strait of Gibraltar and the Island of Alboran.     

Uptake of cadmium into cells in culture∗

Cadmium has been recognized as pollutant of the environment for many years and numerous studies on its toxic effects have been carried out. Little, however, is known about its metabolic behaviour e.g. why the metal is accumulated so extremely rapidly into the organs of men and animals. Since the study of the individual metabolic steps is very difficult in vivo cell cultures may be used to obtain first indications of what happens in the whole animal.

We used CHO cells in monolayer culture to study the conditions under which the uptake of cadmium occurs. From serumfree medium the metal is accumulated rapidly in the cells. The uptake is inhibited very strongly by the presence of serum or albumin. Accumulation occurs against a concentration gradient and is dependent on the incubation temperature. Below 10°C no cadmium uptake is seen. Several substances which are known to affect cell metabolism have been used to influence cadmium accumulation. Neither inhibitors of energy production nor microtubule or microfilament disruptors showed any substantial effect. In contrast SH‐group blocking agents markedly reduced cadmium uptake.

The results show that cadmium uptake does not occur by passive diffusion but by some active mechanism.     

Cadmium in the terrestrial environment: Impact of long‐range atmospheric transport∗

Cadmium is supplied to Southern Norway in considerable amounts by atmospheric transport from other areas of Europe. This has caused a very marked increase of Cd levels in the natural environment in this area. Evidence of the main source areas is inferred from air concentration studies coupled to trajectory analysis. The extent of contamination is indicated from deposition studies and investigations of Cd in peat cores and surface soils, including soil profile distributions. The Cd content of vascular plants is substantially higher in Southern Norway than in areas farther north and further transfer in terrestrial food chains is occurring and may eventually lead to increased human exposure.     

Indoor air pollution: A review∗

Relationships between toxicities of substituted aromatic hydrocarbons to Daphnia magna and to Fathead minnows or Photobacterium phosphoreum were studied based on structure‐activity equations we established. Good relationships between toxicities of chemicals to Daphnia magna and to Fathead minnows, Photobacterium phosphoreum were found for a wide range of chemicals. The toxicity data of fish can be predicted by the toxicity data of Daphnia magna or Photobacterium phosphoreum. It is probable that the toxicities of chemicals to the three organisms are similar.     

Chromium accumulation,transport and toxicity in plants∗

The predominant pathway for human exposure to chromium in non‐occupationally exposed individuals is via food with a daily intake of around 30–100 μgd^–1, with vegetables providing a major contribution. Unlike reports of chromium essentiality to man and animals, plants appear not to require chromium in spite of some early reports of a stimulatory growth effect.

Most reports on chromium in plants have been concerned with their growth on soils amended with sewage sludge, pF‐ash, tannery waste, or on ultra basic soils, which contain extreme concentrations of the element. Experimental studies with plants grown in hydroponic solution have often been undertaken at unrealistically high concentrations to examine the uptake of chromium in various forms, either as CrIII or CrVI at different pHs. In most cases, reports on chromium in plants deal with element concentrations and plant/soil relationships rather than detailed biochemical and physiological processes.

In general, chromium is largely retained in the roots of plants, although the oxidation state of chromium, pH, presence of humates and fulvates and plant species, affect plant uptake and transport. Leaves usually contain higher concentrations than grains. The uptake of CrIII is largely a passive process, whereas CrVI uptake is a metabolically mediated process via the sulphate pathway and is thus readily transported around the plant. The presence of a compound similar to trioxalate CrIII has been recorded while little chromium has been reported to be associated with cell organelles or soluble proteins.     

Seasonal behaviour of lead concentration in poplar leaves∗

Seasonal variation of lead concentration in urban area in poplar leaves, is discussed as part of the more general problem of the interactions of gaseous and nongaseous air pollutants with terrestrial vegetation.     

World Summit on Sustainable Development: An environmental highlight or an environmental education letdown?

The World Summit on Sustainable Development (WSSD) met from 26 August to 4 September 2002, in Johannesburg, South Africa. Its goal was to hold a 10-year review of the 1992 UN Conference on Environment and Development and to reinvigorate global commitment to sustainable development. Main outcomes include the reaffirmation of sustainability as a basic worldwide need, the establishment of a World Solidarity Fund, the eradication of poverty and the agreement on particular attention to the needs of the African countries. However, there is also a great failure. It failed to address the issue of environmental education (EE). The need for implementation and support of the greatest tool, which can lead to action, i.e. the need for specific knowledge, was never stated. Issues of knowledge, access to information, critical thinking, evaluation, assessment, even dispute and doubt, i.e. components that make citizens actively participate in the environmental decision process, were not addressed. Delegates in Johannesburg managed to decide upon the need for reaction, without mentioning EE, the necessary prerequisite. 21,000 people discussed sustainability targets, but forgot to consider how we will reach them. One may think that EE was not discussed because it has already been successfully implemented; maybe the worldviews are that citizens do actively participate in environmental decision-making. Or perhaps we can still be so naïve, as to simply forget what we are talking about.     

Modelling forest–savanna mosaic dynamics in man-influenced environments: effects of fire,climate and soil heterogeneity

Forests and savannas are the major ecotypes in humid tropical regions. Under present climatic conditions, forest is in a phase of natural expansion over savanna, but traditional human activities, especially fires, have strongly influenced the succession. We here present a new model, FORSAT, dedicated to the forest–savanna mosaic on a landscape scale and based on stochastic modelling of key processes (fire and succession cycle) and consistent with common field data. The model is validated by comparison between the qualitative emergent behaviour of the model and results of biogeographical field studies. Three types of forest succession are shown: progression of the forest edge, formation and coalescence of clumps in savanna and global afforestation of savanna. The parameters (frequency of savanna fires, climate and soil fertility) appear to have comparable effects and there is a sharp threshold between a forest edge progression scenario and the cluster formation one. Moreover, pioneer seed dispersal pattern and recruitment are determinant: peaked curves near a seed source and far dispersal combine to increase the fitness of the pioneers.     

Do biodiversity indices behave as expected from traits of constituent species in simulated scenarios?

It is believed that diversity of plant communities has a positive effect on their productivity. The benefits of diversity are described by “biodiversity indices”, comparing yield of mixtures with yields of monocultures of constituent species. These indices are supposed to capture also the main mechanisms leading to increased yield. We have constructed a spatially explicit individual based model, simulating even-aged stand development, and compared the behaviour of selected biodiversity indices (overyielding, selectivity and complementarity) with expectations based on life history traits of constituent species. The results are based on comparisons of two species mixtures with corresponding monocultures. We designed three scenarios of changes in the two species life history differentiation, and compared the behaviour of the indices with expectation based on it. In the first scenario, selectivity was driven by increasing size inequality of the two species, mostly in accordance with expectations. The second scenario presents increasing shade tolerance of the smaller species that increased complementarity, again mostly as expected. In the last scenario, shortening of length of stress tolerance of the weaker species surprisingly increased values of the biodiversity indices. For each setting, we varied sowing density and spatial pattern of the constituent species. The behaviour of the indices was influenced by both factors, but the effect of density was more pronounced. In particular, at high sowing densities, the most important interactions happened in the very early stages of mixture development, and the behaviour of the indices was often counter-intuitive.     

Is a voluntary approach an effective environmental policy instrument?: A case for environmental management systems

Using Japanese facility-level data from an OECD survey, we estimate the effects of implementation of ISO14001 and publication of environmental reports on the facilities’ environmental performance. While most previous studies focused on an index of emissions toxicity, this study examines three areas of impacts, none of which have been explored in the literature: natural resource use, solid waste generation, and wastewater effluent. The study is also unique in that the effectiveness of ISO14001 is considered in relation to environmental regulations. Our findings are summarized as follows. First, both ISO14001 and report publication help reduce all three impacts; the former appears more effective in all areas except wastewater. Second, environmental regulations do not weaken the effect of ISO14001. Third, assistance programs offered by local governments—a voluntary approach—promote facilities’ adoption of ISO14001. These findings suggest that governments can use command-and-control and voluntary approaches concurrently.     

Speciation of particulate trace metals in sediments of Anarbe reservoir∗

Total concentration and chemical forms of heavy metals in samples of sediment from a drinking water reservoir have been analysed. The result of total metal contest shows Fe and Mn concentration increase along the reservoir, from 4.4% in Fe and 0.07% in Mn in the end part to 6.4% Fe and 0.22% Mn at the dam. However, a decrease in organic matter along the reservoir is observed. In order to test the accuracy of the digestion methods used, a standard reference material was also analysed.

Trace metal concentrations, with exception of Cadmium, Pb and Mn, found in fraction 5 are higher than those observed in the others extractions, Fe, Ni, Zn, Cr and Cu content in non‐residual fraction is found mainly in moderately reducible fraction, but the percentage of this fraction in each metal is very different.     

Development of environmental management system in China’s financial sector

The establishment of the environmental management system in the financial sector can be effectively promoted through the introduction of the environmental protection concept and its implementation by the financial sector. The impact of a sustainable development system on the sector is analyzed in this article from three aspects: environmental risk assessment, financing support for environmental protection projects, and financial services to environmentally friendly corporations and individuals. Influential factors on the development of the environmental management system in China’s financial sector are discussed from the perspective of various entities such as financial institutions, financial regulation authorities, environmental protection departments, corporations, and the public. It is pointed out that China’s financial sector is now in the transitional phase from a defensive attitude to a preventive attitude. Strengthening governmental guidance, the supervision of regulators as well as public awareness of environmental protection should be used to enhance the initiative in the development of the environmental management system in the Chinese financial sector.     

Contributing institutional factors of rural environmental pollution in the process of modernization in China —In the perspective of the efficiency of environmental management system

With the development of rural pollution, its characteristic and institutional factor should be studied for pollution control through economics and sociology. Based on the data gathered from investigations by several government sectors, rural environmental pollution can be divided into two types by its sources: internal source type and external source type. The internal source type is the main component of rural pollution at present, which can be further divided into three types. Research shows that the contributing institutional factors of rural pollution issues and the effectiveness of environmental management system over rural pollution can be summarized as distinctiveness. In essence, the rural pollution issue results from the dualism of rural and urban areas’ inadaptability to rural modernization. In detail, the contributing factors can be summed up on three institutional levels. There are obvious loopholes in rural environmental management system which, in the meantime, is incapable and inadaptable to rural pollution control. There exist similar questions in the related public service system, which are intensified by inappropriate reform which brought about incompatible incentive in the recent years. However, in the eleventh five-year plan period, there are advantageous trends in the three institutional levels.