A simple method for estimating dermal absorption of chemicals in water

A semiempirical mathematical model is proposed for estimating the dermal absorption of chemicals from dilute aqueous solutions, such as bath water. Absorption depends on the concentration of the chemical in water, the area of skin exposed, the time of exposure, and a permeation coefficient that depends importantly on the relative solubility of the material in lipids and water, among other factors not so easily modeled.     

A GIS-based multimedia watershed model: development and application

A multimedia model was developed using publicly available geographical information system (GIS) data, chemical release information and local monitoring networks to assess the fate of trichloroethene (TCE) within the Passaic River Watershed. Seven environmental media, air, water, sediment, surface soil, terrestrial vegetation, root zone soil and vadose zone soil, were modeled in this study along with their sub-compartments. The Passaic River Watershed is described using the NJDEP geographical information system (GIS) resources, the United States Geological Survey (USGS) and the United States Soil Conservation Services (US SCS) soil data. The introduction of spatial resolution to a multimedia, unsteady state model is performed in this work, and represents an important step in expanding the use of equilibrium models to provide far reaching information on the fate of toxic contaminants within a given environmental unit. The spatial representation of cross-boundary fluxes was successfully demonstrated with the use of sub-watershed as an environmental unit and the direct assessment of TCE for each of the 11 sub-watersheds that make up the Passaic River Basin in northern New Jersey. Important data gaps identified during the development of this model include the lack of comprehensive monitoring data on organic contaminants, and non-uniformity among available physical environmental data from different government agencies.     

Novel application of the CORAL software to model cytotoxicity of metal oxide nanoparticles to bacteria Escherichia coli

Convenient to apply and available on the Internet software CORAL (http://www.insilico.eu/CORAL) has been used to build up quantitative structure-activity relationships (QSAR) for prediction of cytotoxicity of metal oxide nanoparticles to bacteria Escherichia coli (minus logarithm of concentration for 50% effect pEC50). In this study six random splits of the data into the training and test set were examined. It has been shown that the CORAL provides a reliable tool that could be used to build up a QSAR of the pEC50.     

A simple semi-empirical model for predicting missing carbon monoxide concentrations

Carbon monoxide monitoring using continuous samplers is carried out in most major urban centres in the world and generally forms the basis for air quality assessments. Such assessments become less reliable as the proportion of data missing due to equipment failure and periods of calibration increases. This paper presents a semi-empirical model for the prediction of atmospheric carbon monoxide concentrations near roads for the purpose of interpolating missing data without the need for any traffic or emissions information. The model produces reliable predictions while remaining computationally simple by being site-specifically optimized. The model was developed for, and evaluated at, both a suburban site and an inner city site in Hamilton, New Zealand. Model performance statistics were found to be significantly better than other simple methods of interpolation with little additional computational complexity.     

A simple model for estimating emissions of volatile organic compounds from grass and cut grass in urban airsheds and its application to two Australian cities

Grass, and particularly cut grass, recently has been shown to emit significant amounts of volatile organic compounds (VOCs) into the atmosphere. Some components of these emissions are highly reactive and may contribute to photochemical smog in urban areas. A simple model for estimating the VOC emissions from grass and for grass cutting that allows these processes to be included in urban/regional emissions inventories is presented here. Using previous work and recent literature values, estimates are made of these biogenic volatile organic compound (BVOC) emissions for two typical urban airsheds, those including the cities of Sydney and Melbourne in Australia. Grass and cut grass could contribute approximately 2% for Sydney and 3% for Melbourne of the total VOCs emitted into these urban atmospheres annually. These contributions could rise to 4 and 5%, respectively, during the weekends of the summer growing season and, thus, could contribute to weekday/weekend ozone differences. It is recommended that the emissions of BVOCs from grass and cut grass be included in urban and global emissions inventories so that more accurate predictions of smog chemistry can be determined.     

A simple and fast model to compute concentration moments in a convective boundary layer

Recently, a modified meandering plume model for concentration fluctuations in a convective boundary layer has been formulated (Atmos. Environ. 34 (2000) 3599). This model is based on a hybrid Eulerian–Lagrangian approach and it accounts for the skewed and inhomogeneous turbulence characteristics of the convective flow. Using the same hypotheses, but eliminating the need for Lagrangian particle model, we propose a generalised approach, that only requires the knowledge of mean concentration field. The proposed model is independent from the method used to obtain the mean concentration field. The evaluation of the concentration fluctuation field needs a computational time of only few seconds on a standard PC. Therefore, the model is suitable for practical applications.     

A simple urban dispersion model tested with tracer data from Oklahoma City and Manhattan

A simple urban dispersion model is tested that is based on the Gaussian plume model and modifications to the Briggs urban dispersion curves. An initial dispersion coefficient (σ_o) of 40 m is assumed to apply in built-up downtown areas, and the stability is assumed to be slightly unstable during the day and slightly stable during the night. Observations from tracer experiments during the Joint Urban 2003 (JU2003) field study in Oklahoma City and the Madison Square Garden 2005 (MSG05) field study in Manhattan are used for model testing. The tracer SF₆ was released during JU2003 near ground level in the downtown area and concentrations were observed at over 100 locations within 4 km from the source. Six perfluorocarbon tracer (PFT) gases were released near ground level during MSG05 and sampled by about 20 samplers at the surface and on building roofs. The evaluations compare concentrations normalized by source release rate, C/Q, for each sampler location and each tracer release, where data were used only if both the observed and predicted concentrations exceeded threshold levels. At JU2003, for all samplers and release times, the fractional mean bias (FB) is about 0.2 during the day (20% mean underprediction) and 0.0 during the night. About 45 –50% of the predictions are within a factor of two (FAC2) of the observations day and night at JU2003. The maximum observed C/Q is about two times the maximum predicted C/Q both day and night. At MSG05, for all PFTs, surface samplers, and release times, FB is 0.14 and FAC2 is about 45%. The overall 60 min-averaged maximum C/Q is underpredicted by about 40% for the surface samplers and is overpredicted by about 25% for the building-roof samplers.     

A simple model which predicts some non-linear features between atmospheric sulphur and sulphur emissions

This paper develops a simple model and suggests a plausible chemico-physical mechanism for a non-linear response between atmospheric sulphur and sulphur emissions. It contains simplified representations of transport, deposition and conversion processes and uses a proxy in-cloud oxidant-limited reaction along a pathway connecting an emission source with a receptor site. Individual pathway responses to emissions show linear behaviour above a threshold. However, by averaging the values of SO2 at the receptor site from different pathways a continuous non-linear relationship is obtained. As emissions reduce, distant emission sources become less significant contributors of sulphur dioxide at a receptor site but their emissions are still counted in an emission inventory, leading to an apparent non-linearity. Sulphate is always found to contribute a signal to the receptor site total. This model goes someway to explaining a proposed 'crossover' between observed proportions of wet and dry deposited sulphur in the UK as emissions have been reduced.     

A simple method to prepare magnetic modified beer yeast and its application for cationic dye adsorption

The purpose of this research is to use a simple method to prepare magnetic modified biomass with good adsorption performances for cationic ions. The magnetic modified biomass was prepared by two steps: (1) preparation of pyromellitic dianhydride (PMDA) modified biomass in N, N-dimethylacetamide solution and (2) preparation of magnetic PMDA modified biomass by a situ co-precipitation method under the assistance of ultrasound irradiation in ammonia water. The adsorption potential of the as-prepared magnetic modified biomass was analyzed by using cationic dyes: methylene blue and basic magenta as model dyes. Optical micrograph and x-ray diffraction analyses showed that Fe₃O₄ particles were precipitated on the modified biomass surface. The as-prepared biosorbent could be recycled easily by using an applied magnetic field. Titration analysis showed that the total concentration of the functional groups on the magnetic PMDA modified biomass was calculated to be 0.75 mmol g^?1 by using the first derivative method. The adsorption capacities (q _m) of the magnetic PMDA modified biomass for methylene blue and basic magenta were 609.0 and 520.9 mg g^?1, respectively, according to the Langmuir equation. Kinetics experiment showed that adsorption could be completed within 150 min for both dyes. The desorption experiment showed that the magnetic sorbent could be used repeatedly after regeneration. The as-prepared magnetic modified sorbent had a potential in the dyeing industry wastewater treatment.     

A Cournot competition model with the uniform pollution tariff: an application to NAFTA

This paper investigates the impact of a uniform pollution tariff on production, consumption and consumer welfare in the framework of the Cournot competition. It suggests that the uniform pollution tariff would raise the welfare of US consumers. However, it would penalise the higher-cost producer in the country where environmental regulations are more stringent. The policy implication is that economic integration, such as NAFTA, should take discriminatory pollution tariffs into consideration.     

An urban trajectory model for sulfur in Asian megacities: model concepts and preliminary application

This paper explores the adaptation of a regional Lagrangian approach for making long-term simulations of SO₂ and sulfate ambient concentrations at the resolution needed for health effects risk assessment in Asian megacities and their surroundings. A Lagrangian trajectory model (UR-BAT) is described which simulates transport and diffusion of sulfur within and near urban areas, originating from area and major point sources. The long-range contribution is accounted for by the ATMOS model, simulating all Asian sources. The model has been applied to Beijing and Bombay, by using preliminary emission figures, and the results have been compared with available monitoring data. The computed concentrations in different cities are in the correct range, indicating the potential use of the model in an integrated assessment framework such as RAINS-Asia.     

A simple bacterial index for relative water quality: preliminary application in the Orbetello lagoon (Tuscany, Italy)

A simplified fingerprint, elaborated upon heterotrophic bacterial charge and conventional faecal coliforms (FCs) was used to measure the relative quality of the waters in the western basin of the Orbetello lagoon (Tuscany, Italy). Different bacteriological parameters were combined, after standardisation, obtaining "iso-quality" lines. The-final image of the lagoon exhibits different pollution levels, with a relative minimum in the central area.     

A simple model to predict the biodiesel blend density as simultaneous function of blend percent and temperature

A simple method to estimate the density of biodiesel blend as simultaneous function of temperature and volume percent of biodiesel is proposed. Employing the Kay’s mixing rule, we developed a model and investigated theoretically the density of different vegetable oil biodiesel blends as a simultaneous function of temperature and volume percent of biodiesel. Key advantage of the proposed model is that it requires only a single set of density values of components of biodiesel blends at any two different temperatures. We notice that the density of blend linearly decreases with increase in temperature and increases with increase in volume percent of the biodiesel. The lower values of standard estimate of error (SEE?=?0.0003–0.0022) and absolute average deviation (AAD?=?0.03–0.15 %) obtained using the proposed model indicate the predictive capability. The predicted values found good agreement with the recent available experimental data.     

A conflict measure model and its application to supplier evaluation under environmental uncertainty

As environmental issues are of increased concern, many enterprises have participated in some forms of green-purchasing initiatives. Beside the traditional criteria, the supplier's environmental consciousness, environmental mission, advances in developing environmentally friendly goods, etc., should be evaluated. The attitude difference among supply chain partners will create potential problems for their cooperation and collaboration. A conflict evaluation method is proposed based on measuring their inconsistent attitudes toward important issues such as the environmental ones. A model is built for discovering weight parameters from experience. A pre-qualification process is suggested for screening the suppliers by eliminating those conflicts with the buyer firm.     

A generic model of human lifetime exposure to persistent organic contaminants: development and application to PCB-101

We have developed a model which successfully reconstructs the lifetime polychlorinated biphenyl (PCB)-101 burden of the UK population for individuals born between 1920 and 1980. It not only follows burdens and clearance of persistent organic contaminants throughout a human lifetime--taking changes in age and body composition into account--but also, importantly, incorporates changing environmental concentrations of the compound of interest. Predicted results agree well with available measured lipid concentrations in human tissues. Its unique construction takes into account both changing environmental concentrations of PCBs in principal food groups and changing dietary habits during the time period. Because environmental burdens of persistent organic contaminants have changed over the last 60 years, residues in food will also have mirrored this change. Critically in this respect, the year in which an individual was born determines the shape and magnitude of their exposure profile for a given compound. Observed trends with age represent an historical legacy of exposure and are not simply a function of equal yearly cumulative inputs. We can demonstrate that the release profile of PCB-101 controls levels in the food supply and ultimately the burden of individuals throughout their life. This effect is expected to be similar for other PCB congeners and persistent organic compounds such as polychlorinated dibenzo-p-dioxins/furans (PCDD/Fs). Models of this type have important applications as predictive tools to estimate the likely impact of source-reduction strategies on human tissue concentrations.     

A model for tropospheric multiphase chemistry: application to one cloudy event during the CIME experiment

A multiphase box model for a remote environment of the troposphere has been developed with an explicit chemistry for both gas and aqueous phase. The model applied to a set of measurements performed by Voisin et al. (2000) during the European CIME experiment for a cloud event on 13th December 1997 at the top of the Puy de Dôme (France). The results of the simulation are compared to the measurements in order to follow the evolution of the ambient chemical composition as a function of the pH and of the varying water content. After verifying that the model retrieves the main features observed in the behavior of species in the cloud droplets, a detailed analysis of the simulated chemical regime is performed. It essentially discusses the sources and sinks of radical in aqueous phase, the relative importance of the oxidation pathways of volatile organic compounds by the main radicals and the conversion of S(IV) into S(VI) which seems to be influenced by the presence of peroxonitric acid, HNO₄, in aqueous phase in the environmental conditions that are considered with low H₂O₂. These numerical results are then compared with the theoretical study from Herrmann et al. (2000), who proposed a slightly different mechanism, including C2 chemistry and transition metal chemistry whereas they neglect some reaction pathways, such as the one involving OHCH₂O₂ radical. This double confrontation between model results and both real experimental data and numerical results from Herrmann et al. (1999c) underlines limitations of such modeling approach that does not include any dynamical or microphysical coupling but also demonstrates its capability to identify the main oxidants or reactants in aqueous phase in real environmental conditions more realistic than a purely theoretical approach. The originality of this study resides in the explicit and exhaustive ways the chemical reactions are treated in aqueous phase and in a first attempt to compare such a detailed chemical scheme to real environmental conditions.     

A simple empirical model to predict forest insecticide ground-level deposition from a compendium of field data

Deposit data from 205 aerial forest insecticide applications conducted in field trials by the Canadian Forest Service, Great Lakes Forestry Centre over a 15-year period are summarized. Deposit measurements were taken under “worst case” scenarios in the sense that direct applications were made over water bodies, and ground samplers were intentionally placed in open or cleared areas of forest. The median % deposit on shoreline collectors (32 separate applications) was 5.7%, on mid-stream collectors (44 separate applications) was 6.2%, and on forest floor collectors (129 separate applications) was 4.9%. Forest floor deposit was most closely associated with application rate and droplet size (r = 0.624, p < 0.001 and r = 0.662, p = 0.011, respectively) but these variables combined only explained 44% of the variation in deposit. Data from all three collector types were grouped by 10% deposit increments and combined to provide a data set from all deposition scenarios. A negative exponential model was fitted to the proportion of these combined sites regressed on % deposit in 10% increments and plotted as a deposit probability distribution curve (p < 0.001, r² = 0.992). The probability distribution curve indicated that 5–10% deposit would be expected about 57–91% of the time, whereas 50% deposit or greater would be expected about 2% of the time or less. In a probabilistic risk assessment for aerially applied insecticides in a conifer-dominated forest environment, the probability distribution curve based on empirical data presented here can be used to refine the characterization of exposure scenarios from which effects estimates can be derived.     

Long-term pollution by chlordecone of tropical volcanic soils in the French West Indies: A simple leaching model accounts for current residue

Chlordecone was applied between 1972 and 1993 in banana fields of the French West Indies. This resulted in long-term pollution of soils and contamination of waters, aquatic biota, and crops. To assess pollution level and duration according to soil type, WISORCH, a leaching model based on first-order desorption kinetics, was developed and run. Its input parameters are soil organic carbon content (SOC) and SOC/water partitioning coefficient (K_oc). It accounts for current chlordecone soil contents and drainage water concentrations. The model was valid for andosol, which indicates that neither physico-chemical nor microbial degradation occurred. Dilution by previous deep tillages makes soil scrapping unrealistic. Lixiviation appeared the main way to reduce pollution. Besides the SOC and rainfall increases, K_oc increased from nitisol to ferralsol and then andosol while lixiviation efficiency decreased. Consequently, pollution is bound to last for several decades for nitisol, centuries for ferralsol, and half a millennium for andosol.     

基于紫外吸收原理的硝酸盐在线监测传感器研制及应用

基于紫外吸收原理,研制了一种新型硝酸盐在线监测传感器。通过对硝酸钾标准溶液的测试,绘制了该传感器的标准曲线,利用传感器对几种实际水体的硝酸盐含量进行了检测,并和国标法进行对比,同时通过加标回收率、稳定性、重复性及最低检出限等实验,对传感器的性能进行了评估。实验表明,传感器和国标法测量值的相对误差小于10.0%,加标回收率为91.8%~126%,传感器稳定性和重复性实验的CV值(变异系数)分别为3.364%和3.043%,最小检出限为0.074 mg/L。结果表明,该传感器基本满足水体硝酸盐在线监测的需求,并且具有无污染、工作稳定、测量快速和准确的优势。