Influence of boundary conditions on CMAQ simulations over the Iberian Peninsula

The influence of chemical boundary conditions (BC) on the response of the Community Multiscale Air Quality (CMAQ) model over the Iberian Peninsula was investigated in this study. Three strategies to supply boundary conditions in the context of the Integrated Assessment Modelling System for the Iberian Peninsula (SIMCA) were tested. Alternative methods consist in providing BC from (1) fixed, time-independent, concentration profiles, (2) concentrations predicted in a CMAQ mother domain (48 km, 1 h resolution) and (3) concentration values from the GEOS-Chem chemical-transport global model (2 × 2.5°, 3 h resolution). High resolution (3 km) simulated concentrations of the main pollutants (NO₂, NO, SO₂, O₃, PM₁₀ and PM_2.5) were compared through a comprehensive statistical analysis including observational data from 165 monitoring stations all over the Iberian Peninsula. It was found that model sensitivity to BC for nitrogen and sulphur oxides was limited, being restricted to the vicinity of model boundaries. However, significant domain-wide differences were found when modelling ozone and PM depending on the BC provided to run the tests. Although model performance was affected by spatial and seasonal factors, the results indicate that model-derived, dynamic BC improved CMAQ predictions when compared to those based on static concentrations prescribed in the boundaries. Aggregated statistics suggest that the GEOS-Chem produced the best results for O₃ and PM_2.5 while NO₂ and PM₁₀ were slightly better predicted under the CMAQ nesting approach. Besides the statistical evaluation some other relevant issues in the context of Integrated Assessment Modelling (IAM) are discussed to gain a better insight into the suitability of the methods analyzed and limitations of downscaling methods. Despite being useful to get a better understanding of the role of BC in SIMCA, this study contributed to highlight model deficiencies and therefore to point out future research needs to improve IAM activities in the Iberian Peninsula.     

Effects of acetaminophen in <Emphasis Type="Italic">Brassica juncea</Emphasis> L. Czern.: investigation of uptake,translocation, detoxification,and the induced defense pathways

Purpose  

Besides classical organic pollutants and pesticides, pharmaceuticals and their residues have nowadays become recognized as relevant environmental contaminants. The risks of these chemicals for aquatic ecosystems are well known, but information about the pharmaca-plant interactions and metabolic pathways is scarce. Therefore, we investigate the process of uptake of acetaminophen (N-Acetyl-4-aminophenol) by Brassica juncea, drug-induced defense responses and detoxification mechanisms in different plant parts.     

Polybrominated diphenyl ethers and their methoxylated metabolites in anchovy (<Emphasis Type="Italic">Coilia</Emphasis> sp.) from the Yangtze River Delta,China

Background, aim, and scope  

Polybrominated diphenyl ethers (PBDEs) and their metabolites are toxic to animals, and concentrations of the PBDEs metabolites can exceed those of the parent materials. But no information was available on concentrations of PBDEs metabolites in the lower Yangtze River in the region around Jiangsu Province of China, which is heavily urbanized and industrialized area. The aims of this study were to determine whether PBDEs and their methoxylated PBDEs (MeO-PBDEs) were accumulated in Coilia sp. in this area and to investigate the potential sources for these two kinds of brominated organic pollutants.     

Adsorption of arsenic(V) by iron-oxide-coated diatomite (IOCD)

Purposes and aims  

Economically efficient methods for removing arsenic from the drinking water supply are urgently needed in many parts of the world. Iron oxides are known to have a strong affinity for arsenic in water. However, they are commonly present in the forms of fine powder or floc, which limits their utility in water treatment. In this study, a novel granular adsorbent, iron-oxide-coated diatomite (IOCD), was developed and examined for its adsorption of arsenic from water.     

A mathematical model for type II profile of concentration distribution in turbulent flows

This paper presents a mathematical model to investigate type II profile of suspension concentration distribution (i.e., the concentration profile where the maximum concentration appears at some distance above the bed surface) in a steady, uniform turbulent flow through open-channels. Starting from the mass and momentum conservation equations of two-phase flow, a theoretical model has been derived. The distribution equation is derived considering the effects of fluid lift force, drag force, particle inertia, particle–particle interactions, particle velocity fluctuations and drift diffusion. The equation is solved numerically and is compared with available experimental data as well as with other models existing in the literature. Good agreement between the observed value and computed result, and minimum error in comparison to other models indicate that the present model can be applied in predicting particle concentration distribution for type II profile for a wide range of flow conditions. The proposed model is also able to show the transition from type I profile to type II profile.     

Green Toxicology: a strategy for sustainable chemical and material development

Green Toxicology refers to the application of predictive toxicology in the sustainable development and production of new less harmful materials and chemicals, subsequently reducing waste and exposure. Built upon the foundation of “Green Chemistry” and “Green Engineering”, “Green Toxicology” aims to shape future manufacturing processes and safe synthesis of chemicals in terms of environmental and human health impacts. Being an integral part of Green Chemistry, the principles of Green Toxicology amplify the role of health-related aspects for the benefit of consumers and the environment, in addition to being economical for manufacturing companies. Due to the costly development and preparation of new materials and chemicals for market entry, it is no longer practical to ignore the safety and environmental status of new products during product development stages. However, this is only possible if toxicologists and chemists work together early on in the development of materials and chemicals to utilize safe design strategies and innovative in vitro and in silico tools. This paper discusses some of the most relevant aspects, advances and limitations of the emergence of Green Toxicology from the perspective of different industry and research groups. The integration of new testing methods and strategies in product development, testing and regulation stages are presented with examples of the application of in silico, omics and in vitro methods. Other tools for Green Toxicology, including the reduction of animal testing, alternative test methods, and read-across approaches are also discussed.     

Genotoxicity in adult residents in mineral coal region—a cross-sectional study

The present study assessed the DNA damage in environmentally exposed volunteers living in seven municipalities in an industrial coal region, through the use of the comet assay with blood cells and the micronucleus test with buccal cells. Blood and buccal smears were collected from 320 male volunteers living in seven cities inserted in a coal region. They were ages of 18 and 50 years and also completed a questionnaire intended to identify factors associated with DNA damage through a Poisson regression analysis. The comet assay detected significant differences in DNA damage in volunteers from different municipalities, and neighboring cities (Pedras Altas, Aceguá, and Hulha Negra) had a higher level of DNA damage in relation to control city. Some of the risk factors associated with identified DNA lesions included residence time and life habits. On the other hand, the micronucleus test did not identify differences between the cities studied, but the regression analysis identified risk factors such as age and life habits (consumption of mate tea and low carbohydrates diet). We conclude that there are differences in the DNA damage of volunteers from different cities of the carboniferous region, but the presence of micronuclei in the oral mucosa does not differ between the same cities. Furthermore, we alert that some related factors may increase the risk of genotoxicity, such as residence location and time, and living and food habits. Finally, we suggest the need for continuous biomonitoring of the population, as well as for investing in health promotion in these vulnerable populations.

     

Modelling the potential mobility of Cd,Cu, Ni,Pb and Zn in Mollic Fluvisols

European floodplain soils are frequently contaminated with potentially toxic inorganic substances. We used a multi-surface model to estimate the aqueous concentrations of Cd, Cu, Ni, Pb and Zn in three Mollic Fluvisols from the Central Elbe River (Germany). The model considered complexation in solution and interactions with soil organic matter (SOM), a clay mineral and hydrous Al, Fe and Mn oxides. The amounts of reactive metals were derived from extraction with 0.43 M HNO₃. Modelling was carried out as a function of pH (soil pH ± 1.4) because it varies in floodplain soils owing to redox processes that consume or release protons. The fraction of reactive metals, which were dissolved according to the modelling, was predominantly <1%. Depending on soil properties, especially pH and contents of SOM and minerals of the clay fraction, the modelled concentrations partially exceeded the trigger values for the soil–groundwater pathway of the German soil legislation. This differentiation by soil properties was given for Ni, Pb and Zn. On the other hand, Cd was more mobile, i.e., the trigger values were mostly exceeded. Copper represented the opposite, as the modelling did not predict exceeding the trigger values in any horizon. Except for Pb and partially Zn (where oxides were more important), SOM was the most important adsorbent for metals. However, given the special composition and dynamics of SOM in mollic horizons, we suggest further quantitative and qualitative investigations on SOM and on its interaction with metals to improve the prediction of contaminant dynamics.     

Numerical study of heat transfer characteristics of char from waste tire pyrolysis

To investigate heat transfer of char from waste tire pyrolysis, the cooling of char was simulated by the computational fluid dynamics. To scrutinize the heat transfer characteristics, bed height, temperature of cooling wall, and mixing time were selected as calculation parameters. From the results, increasing the char bed height from 0.005 to 0.02 m, the total heat transfer is decreased as from 45.5 to 26.5 J. As the char bed height is further increased from 0.02 to 0.06 m, the total heat transfer is decreased from 26.5 to 9.1 J. The char bed height affects the total heat transfer significantly. The total heat transfer decreases from 15.9 to 14.0 J as the temperature of cooling wall increases from 273.15 to 323.15 K. The total heat transfer mildly depends on the temperature of cooling wall. The particle mixing time increases from 10 to 120 s and the total heat transfer decreases from 28.6 to 22.6 J. It is noted that the particle contact is enhanced between char particles as well as the particles and cooling wall as the particle mixing time decreases. Consequently, heat transfer is augmented.     

Comparison of analytical descriptions of nocturnal low-level jets within the Ekman model framework

This study focuses on the inertial oscillation aspect of the nocturnal low-level jet (NLLJ). In the context of the Ekman model solutions, conceptual NLLJ inertial oscillation analytical frameworks proposed by Blackadar in 1957 and Shapiro and Fedorovich and van de Wiel et al. in 2010 are compared. Considering a NLLJ produced via direct numerical simulation over flat terrain with no baroclinic influence as a reference case, the deficiencies of each framework in representing a realistic NLLJ are assessed. The Blackadar theory results in unrealistic wind profiles near the surface. While extensions of Blackadar’s framework by Shapiro and Fedorovich and van de Wiel et al. produce more realistic NLLJs, the simpler approach taken by van de Wiel et al. does not describe the NLLJ wind hodograph at later times sufficiently in qualitative terms.