Screening of high production volume chemicals for estrogen receptor binding activity (II) by the MultiCASE expert system

A structurally and functionally diverse and cross-validated quantitative structure-activity knowledge database generated by the MultiCASE expert system was used to screen 2526 high production volume chemicals (HPVCs) for their estrogen receptor binding activity. 73 HPVCs were found to contain structural features or biophores that have been documented as having the ability to bind to the estrogen receptor. Potential chemicals were ranked according to their quantitatively predicted ER binding potential and the details of the biophores found in them are discussed.     

Photochemistry and environment. VII- The photohydrolysis of chlorobenzene: Studies of the excited state involved

Chlorobenzene excited in dilute aqueous solution is transformed quantitatively into phenol ($\text{ф= 0.10±0.02}$). This reaction involves a triplet state, since it is quenched by biacetyl and sensitized by ketones. Based on quenching experiments, the lifetime of the lowest triplet of chlorobenzene was measured as 30 ns. From the sensitized phosphorescence of biactyl, the quantum yield of intersystem crossing (S₁→T₁) was found to be 0.6 ±0.1. The photophysical characteristics of chlorobenzene are identical in acetonitrile (). Photosensitization of the photohydrolysis is observed with acetone and acetone D6 in aqueous solution. The quantum yield of the sensitized photohydrolysis is limited to 0.06±0.01. Hexadeuterated acetone appeared to be a more specific photosensitizer than acetone.     

PM2.5 source apportionment in a French urban coastal site under steelworks emission influences using constrained non-negative matrix factorization receptor model

The constrained weighted-non-negative matrix factorization(CW-NMF) hybrid receptor model was applied to study the influence of steelmaking activities on PM_(2.5)(particulate matter with equivalent aerodynamic diameter less than 2.5 μm) composition in Dunkerque,Northern France. Semi-diurnal PM_(2.5)samples were collected using a high volume sampler in winter 2010 and spring 2011 and were analyzed for trace metals, water-soluble ions, and total carbon using inductively coupled plasma – atomic emission spectrometry(ICP-AES),ICP- mass spectrometry(ICP-MS), ionic chromatography and micro elemental carbon analyzer. The elemental composition shows that NO_3~-, SO_4~(2-), NH_4~+and total carbon are the main PM_(2.5)constituents. Trace metals data were interpreted using concentration roses and both influences of integrated steelworks and electric steel plant were evidenced. The distinction between the two sources is made possible by the use Zn/Fe and Zn/Mn diagnostic ratios. Moreover Rb/Cr, Pb/Cr and Cu/Cd combination ratio are proposed to distinguish the ISW-sintering stack from the ISW-fugitive emissions. The a priori knowledge on the influencing source was introduced in the CW-NMF to guide the calculation. Eleven source profiles with various contributions were identified: 8 are characteristics of coastal urban background site profiles and 3 are related to the steelmaking activities. Between them,secondary nitrates, secondary sulfates and combustion profiles give the highest contributions and account for 93% of the PM_(2.5)concentration. The steelwork facilities contribute in about 2%of the total PM_(2.5)concentration and appear to be the main source of Cr, Cu, Fe, Mn, Zn.     

Irrigation canals as tools for climate change adaptation and fish biodiversity management in Southern France

This paper is based on the interdisciplinary research conducted in the south of France that analyses the different economic, social and environmental roles played by agricultural irrigation canals. We argue that beyond their productive role, which is to supply farmers with water, they fulfil other environmental services and play an important role in the context of future climate change to face challenges of adaptation. We point up several ecosystem services provided by such canals, e.g. replenishing the groundwater table, the development of riparian vegetation and wet areas in the Mediterranean zone, tools for regulating flooding and drought, the bases for new cultural approaches to nature. Moreover, they play an important role in the maintenance of an ichthyological biodiversity that is indispensable for the persistence of natural ecosystem. Functioning as an ecological corridor, they display interesting capacities as refuges for certain fish species under stress. Indeed, they can potentially connect upstream and downstream zones over a continuum of more than 300 km and thus covering very contrasted climatic zones (alpine versus Mediterranean). For now, most of these services remain largely unknown and underestimated. However, they serve as assets for territorial development since they combine economic, ecological and social factors whose remodelling is becoming increasingly necessary in the face of climate change.     

Biodegradation of polyethylene films with prooxidant additives

Prooxidant additives represent a promising solution to the problem of the environment contamination with polyethylene film litter. Prooxidants accelerate photo- and thermo-oxidation and consequent polymer chain cleavage rendering the product apparently more susceptible to biodegradation. The question not fully resolved remains the biodegradation itself, its mechanism and especially the factors influencing the time-frame in which it can occur. The presented review is aimed to provide comprehensible information for both microbiologists and polymer scientists, who need participate in the research leading to an understanding of the microorganism action on the oxidized polyethylene and to design of new materials.     

RELIABILITY OF THE DESIGN STORM CONCEPT IN EVALUATING RUNOFF PEAK FLOW1

A comparative study was undertaken to evaluate peak runoff flow rates using (1) a continuous series of actual rainfall events and (2) design storms. The ILLUDAS computer model was used to simulate runoff over a catchment within the city of Montreal, Canada. A ten-year period, five-minute increment rainfall data base was used to derive peak flow frequency curves. Two types of design storms were analyzed: one derived from intensity duration frequency curves (Chicago type), the other from averaging actual rainfall patterns (Huff type). Antecedent soil moisture conditions were considered in the analyses. It was found that the probability distribution of runoff peak flow was sensitive to the choice of design storm pattern and to the antecedent soil moisture condition. A symmetrical, Chicago-type design storm with antecedent dry soil moisture produced a flow frequency curve similar to the one obtained from a series of historical rainfall events.     

Documenting lemming population change in the Arctic: Can we detect trends?

Lemmings are a key component of tundra food webs and changes in their dynamics can affect the whole ecosystem. We present a comprehensive overview of lemming monitoring and research activities, and assess recent trends in lemming abundance across the circumpolar Arctic. Since 2000, lemmings have been monitored at 49 sites of which 38 are still active. The sites were not evenly distributed with notably Russia and high Arctic Canada underrepresented. Abundance was monitored at all sites, but methods and levels of precision varied greatly. Other important attributes such as health, genetic diversity and potential drivers of population change, were often not monitored. There was no evidence that lemming populations were decreasing in general, although a negative trend was detected for low arctic populations sympatric with voles. To keep the pace of arctic change, we recommend maintaining long-term programmes while harmonizing methods, improving spatial coverage and integrating an ecosystem perspective.     

How changes in diet and trade patterns have shaped the N cycle at the national scale: Spain (1961–2009)

During the last five decades (1961–2009), Spain has experienced a considerable expansion in the nutrient cycle of its agricultural sector and, in particular, a threefold increase in anthropogenic reactive nitrogen inputs, from 536 Gg N year^?1 in 1961–1965 to 1673 Gg N year^?1 in 2005–2009. Import of feed (soybean, cereals, and cakes) from America and Europe to supply a growing livestock population constitutes the largest share of this increase, along with intensification of synthetic fertilizer use. While in the early 1960s, Spain was nearly self-sufficient in terms of food and feed supply, the net import of agricultural products presently equals domestic crop production, when expressed in terms of nitrogen content (ca. 650 Gg N year^?1). The most important driver of this shift appears to be the rapid change in domestic consumption patterns, which evolved from a typical Mediterranean diet to an animal-protein-rich diet similar to the North European and American diets. Besides livestock production mostly for national consumption, the Spanish agricultural system has specialized in vegetal products with low N content such as olive oil, wine, vegetables, and citrus fruit, which are for the most part exported. The nitrogen load exported outside the Spanish borders by rivers is very low (6.5 % of the total net N input). As a result of the high import and low export of reactive nitrogen, the Spanish mainland is suffering from considerable pollution by local emissions of reactive nitrogen forms to air and water.