Utility of the QSAR modeling system for predicting the toxicity of substances on the European inventory of existing commercial chemicals∗

Many chemicals are in common commercial use for which no information on the environmental fate or toxicity exists. Recent legislation requires that many substances be assessed for their toxicity to aquatic organisms within a very short time and determine which of these chemicals need to be studied in greater detail. It would be impossible to measure the acute and chronic effects of all of these compounds on a single organism, let alone a battery of different types of organisms, communities or ecosystems. Initially, the chemicals on the European Inventory of Existing Commercial Chemical Substances (EINECS) need to be screened and relative hazard to the environment determined. In response to OECD directives, there has been a great deal of activity by government and industry scientists. At the International Workshop on Advances in Environmental Hazard and Risk Assessment it was concluded that quantitative structure activity relationships (QSAR) could and should be used in the hazard assessment process. Papers published in that volume outline the advantages, disadvantages, limitations, advances and research requirements.

The QSAR, structure‐activity based chemical modeling and information system, which was developed by the US‐Environmental Protection Agency was used to predict the acute toxicity of 113 substances from the “Old Substances”; list of the German government to the four commonly used aquatic toxicity test organisms: Daphnia magna (DM), fathead minnow (FHM), rainbow trout (RBT), and blue‐gill sunfish (BG).

Of these compounds the QSAR system predicted the acute toxicity of 87 substances towards fathead minnow. For the other three species examined the QSAR system could be used to predict toxicity for 78 compounds.

The predicted toxicities were compared to observed toxicities of compounds which have been evaluated and stored in the “Aquire”; data base. Observed toxicity values were available for at least one species for 38 compounds. The toxicities of some compounds are well predicted while those of other compounds were not well predicted. Overall, the QSAR system accurately classified the acute toxicity ranges of 50%, 64%, 56% and 56% of the compounds investigated for DM, FHM, RBT and BG, respectively. Of the compounds studied 10 were very poorly predicted, of these the QSAR system overpredicted the toxicity of three, while underpredicting the toxicity of seven. Of these seven compounds, five contained amino groups.     

Effects of the spatial pattern of disturbance on the patch-occupancy dynamics of juniper–pine open woodland

Typically, studies of the disturbance effect on metapopulation dynamics are limited to understanding the effect of habitat loss although, recently, the spatial pattern of the disturbance has been shown to influence dynamics. In this study, we used a stochastic patch-dynamic model to investigate the effects of spatial disturbance patterns on the persistence of an open woodland community of Juniperus spp. and Pinus spp. First, we estimated patch-occupancy dynamics by using the coefficients that best predicted the occupancy observed in 1998 based on occupancy data from 1957. Next, we evaluated the effects of the rate and pattern of the disturbance on the extinction probability. In modeling the disturbance, we considered (1) the degree of disturbance produced by scenarios of complete destruction or degradation (with the potential for recolonization), (2) the overall rate of disturbance, and (3) the spatial autocorrelation of habitat destruction. Twenty 40-year simulations predicted a 25% increase in the number of patches, and when 50% of the habitat was removed, the impact was more pronounced after complete destruction than it was after degradation of the area. Predictions based on scenarios of complete destruction, including random, contiguous, Brownian, and autoregressive noise, demonstrated that the impact of disturbance depends upon the spatial structure of the disturbance regimen. The autocorrelated structure of the disturbance regimen had the greatest impact on patch persistence. Patch-occupancy was higher after 20 40-year simulations when habitat loss was randomly distributed than when it followed an autocorrelated patch destruction, which was simulated using autoregressive noise to produce 50% habitat destruction. In addition, while habitat loss was negatively linearly correlated with patch persistence when habitat destruction was randomly distributed, a dramatic transition shift occurred when habitat destruction was simulated following an autoregressive spatial distribution after a certain threshold of habitat destruction (40% of the actual open woodland habitat). Our study suggests that the spatial patterns of the disturbance should be considered when predicting the consequences of fragmentation and improving management strategies.     

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.     

Transport of butyltins at the water‐air interface and the adsorptive behavior of tributyltin in the surface microlayer

The transfer dynamics and enrichment phenomena of monobutyltin chloride(MBT), dibutyltin chloride(DBT) and tributyltin chloride(TBT) at the water‐surface microlayer (SM) interface were studied. The transport processes of the three compounds at the interface are very fast in the estuarine environment. The mass transfer coefficients are 1.54 m/h for MBT, 2.16 m/h for DBT, 1.56 m/h for TBT. The effect of various factors, including pH, salinity, suspended particulate and temperature, on the adsorptive behavior of TBT in the water's surface microlayer was also studied.     

On the shoals of giants: natural catastrophes and the overall destruction of the Caribbean’s archaeological record

In this paper I review a host of natural and cultural processes that have affected the preservation and integrity of archaeological sites on islands in the West Indies, many of which are located in low-lying coastal areas. Given the position of the Caribbean lithospheric plate—juxtaposed between four others—it is no surprise that by its very nature the region is volcanically active and frequently associated with earthquake and tsunami events. This makes coastal zones, and related archaeological sites in the region, highly susceptible to a wide range of destructive natural events. The high frequency of tropical systems (hurricanes and storms) in the Caribbean and rising sea level, coupled with human activities such as sand mining, development, and looting, makes the region’s archaeological record one of the most vulnerable and threatened in the world. Ongoing research is dedicated to understanding how past populations may have been affected by these events in the past.     

k-ε Predictions of the initial mixing of desalination discharges

Predictions from a k-ε model are compared with recently acquired experimental data from inclined negatively buoyant discharges. The k-ε model is part of a standard computational fluid dynamics package (CFX). Two approaches are taken when implementing the model. One involves using an essentially standard form of the model to predict flow behaviour. The other approach involves calibrating the model, through adjustment of the turbulent Schmidt number in the tracer transport equation, to achieve reasonable predictions for positively buoyant vertical discharges and then applying it to inclined negatively buoyant discharges. While the calibrated approach improves the predictions of some bulk parameters (notably the tracer spread and dilution) when compared to predictions from the standard model, the overall effect on the quality of the predictions is small. Comparisons with experimental data indicate that predictions from both the standard and calibrated simulations compare favourably with trajectory data, but integrated dilution predictions at the centreline maximum height are conservative (mean-integrated concentrations are over-predicted). The standard and calibrated k-ε predictions confirm the importance of buoyant instabilities on the lower (inner) side of the flow, the effects of which are clearly evident in the mean concentration profiles. However, these simulations have a tendency to overestimate the influence of stabilizing density gradients on the upper (outer) side of the flow and are unable to effectively predict the cross-sectional distribution of a tracer. In contrast to a previous study, the above comparisons indicate that predictions of bulk parameters from such models can be poor and indeed are no better than those obtained from relatively simple analytical solutions.     

Assessing the impact of biological control of Plutella xylostella through the application of Lotka–Volterra model

The Lotka–Volterra model was applied to the population densities of diamondback moth (DBM), Plutella xylostella (L.) and its exotic larval parasitoid Diadegma semiclausum (Hellen) data that was collected earlier by icipe's DBM biological control team. The collections were done for 15 months before the release and 36 months after release of the parasitoid in two areas; in Werugha, Coast Province of Kenya and Tharuni, Central Province of Kenya, respectively. For each area in pre- and post-release periods, we estimated Lotka–Volterra model parameters from the minimization of the loss function between the theoretical and experimental time-series datasets following the Nelder-Mead multidimensional method. The model estimated a reduction in the value of the steady state of DBM population from 4.86 to 2.17 in Werugha and from 6.11 to 3.76 and 3.45 (with and without exclusion of the time before D. semiclausum recovery) in Tharuni when transiting from the pre- and post-release periods, respectively. This change was a consequence of the newly introduced parasitoid, in the areas. The study presented a successful and detailed technique for non-linear model parameters restoration which was demonstrated by the correct mimicking of empirical datasets from the classical biological control with D. semiclausum, in different areas of Kenya. The applied model has measured the parasitoids impact on the DBM biological control through a quantitative estimate of the effectiveness of the newly introduced species D. semiclausum. These equations may therefore be used as tool for decision making in the implementation for such pests’ management system strategy.     

Is the quest for sustainable use of the planet unworldly?

SUMMARY

Is the quest for sustainable use of the planet utopian and unworldly, or an act of enlightened self-interest? Few would label the attempts to increase human longevity unworldly, yet what significance will it have in an unsustainable world? Achieving sustainability will require entire societies to emulate attributes that humans profess to admire in others. Among the dictionary definitions of unworldly are: not seeking material advantage, and spiritually minded. Since our global life-support system is vulnerable to irresponsible individual and societal practices, the consequences of unethical behaviour and lack of compassion might well be catastrophic for human society. This paper consists of a preliminary exploration of some of these issues.     

Where is the western limit of the tropical Indian Ocean seaweed flora? An analysis of intertidal seaweed biogeography on the east coast of South Africa

New, large-scale collections have been made of marine benthic macroalgae (seaweeds) on the east coast of South Africa, and the distributions of shallow-water species were analyzed in detail by multivariate, clustering and -diversity methods. The two northernmost sites are distinct, with a predominance of tropical species, and it is concluded that the changeover from a tropical Indian Ocean flora to a temperate South African flora occurs most rapidly in the vicinity of St. Lucia, 135 km south of the Mozambique border. It is imperative that all future biogeographical studies on the South African inshore marine biota include detailed collections north of St. Lucia. The remaining 440 km of the South African east coast (southern and central Kwazulu-Natal Province) is populated by a mixture of tropical and temperate elements, with only 2% endemism in this data set. This, thus, represents a true overlap region, with relatively equal numbers of species with affinities in the temperate Agulhas and tropical Indo–West Pacific floras, rather than a distinctive sub-tropical marine province, as the South African east coast is considered to be by most previous authors. The distinction between this overlap region and the south coast (Agulhas) region proper is not as clearly distinct. The change from a temperate to a tropical flora shows a relative increase in green algae from 15% to 25% of the species present. Criteria for the delineation of marine biogeographical regions are critically discussed, and it is concluded that the monitoring of distributions of all species, including rare species, is necessary. This is particularly relevant with regard to using these data to assess effects of potential changes in seawater temperature, including those which may be caused by global warming. Criteria for the delimitation of biogeographic entities such as "marine provinces" need to be clearly spelt out in all investigations.Communicated by O. Kinne, Oldendorf/Luhe     

The use of the embryo‐culture techniques in the research on the Teratogenic and Mutagenic properties of metals†

Actually, embryos can be cultured from the one‐cell stage up to the blastocyst stage, and their development can be easily monitored at any time: severe effects caused by toxic compounds are traduced by rapid embryonic death, less pronounced effects can be expressed by a lowered cleavage activity or by an arrest of the development from a particular stage. The system can be improved by transferring the embryos at the blastocyst stage in another more complete medium where they can “implant”; and form an inner cell mass with differentiated ectoderm and endoderm. Since last years, it has also become possible to culture postimplantation rodent embryos for short periods involving a number of particularly critical stages of organogenesis, such as the formation and closure of the anterior neuropore. Embryo‐culture also represents a useful system to study cytogenetic effects of chemicals which are often linked to lethal or teratogenic effects. These different possibilities are illustrated by examples of studies already performed with metals, and dealing with their teratogenic and/or cytogenetic effects on pre‐ and postimplantation rodents.     

Effects of the Ellagic acid on the N‐Acetyltransferase activity and Acetylation of 2‐aminofluorene in the rat

The effects of the ellagic acid on the in vitro and in vivo acetylation of 2‐aminofluorene were investigated in male Sprague‐Dawley rats. For in vitro examination, cytosols with or without ellagic acid co‐treatment showed different percentage of 2‐aminofluorene acetylation. For in vivo examination, pre‐treatment of male rats with ellagic acid (10 mg/kg) 24h prior to the administration of 2‐aminofluorene (50 mg/kg) resulted in a 26% and 29%, respectively, decrease in the urinary and fecal recovery of N‐acetyl‐2‐aminofluorene, and a 37% decrease in the metabolic clearance of 2‐aminofluorene to N‐acetyl‐2‐aminofluorene. This is the first demonstration that ellagic acid decrease the N‐acetylation of carcinogens in vitro and in vivo.     

Impacts of climate variability and human colonization on the vegetation of the Galápagos Islands

A high-resolution (2-9 year sampling interval) fossil pollen record from the Galápagos Islands, which spans the last 2690 years, reveals considerable ecosystem stability. Vegetation changes associated with independently derived histories of El Ni?o Southern Oscillation variability provided evidence of shifts in the relative abundance of individual species rather than immigration or extinction. Droughts associated with the Medieval Climate Anomaly induced rapid ecological change that was followed by a reversion to the previous state. The paleoecological data suggested nonneutral responses to climatic forcing in this ecosystem prior to the period of human influence. Human impacts on the islands are evident in the record. A marked decline in long-term codominants of the pollen record, Alternanthera and Acalypha, produced a flora without modern analogue before 1930. Intensified animal husbandry after ca. 1930 may have induced the local extinction of Acalypha and Alternanthera. Reductions in populations of grazing animals in the 1970s and 1980s did not result in the return of the native flora, but in invasions by exotic species. After ca. 1970 the trajectory of habitat change accelerated, continuously moving the ecosystem away from the observed range of variability in the previous 2690 years toward a novel ecosystem. The last 40 years of the record also suggest unprecedented transport of lowland pollen to the uplands, consistent with intensified convection and warmer wet seasons.     

Evaluation of the ecological status with benthic indices in the coastal system： the case of Bohai Bay （China）

Based on biologic and environmental materials collected from coastal areas of Bohai Bay （China） in April, 2008, three biotic indices （AZTI＇s Marine Biotic Index （AMBI）, Shannon-Wiener Index and W-statistic） were applied together to evaluate the ecological status of the sampling area. The results showed a clear spatial gradient from a worse ecological status in the near-shore areas （especially around Haihe and Jiyun River Estuaries） to a better status in the offshore areas. While all the three indices could assist decision makers in visualizing spatial changes of organic pollutants in Bohai Bay, two indices, i. e., AMBI and Shannon-Wiener index, were effective in distinguishing sites from Haihe River Estuary, Jiyun River Estuary and other area. However, W-statistic can＇t tell the differences between estuaries and other area. It would be explained that organic pollutants and/or other environ- mental stresses in Bohai Bay were not strong enough to reduce the size ofmacrozoobenthos, which may cause both of the abundance and biomass curves crossed. To our knowledge, this is the first time that several benthic indices were used to assess the benthic ecological status in Bohai Bay, which gave the similar results. Furthermore, there is indication that the ecological status is related to excess input of wastewater along main rivers and outlets. In a word, AMBI, Shannon-Wiener Index and W-statistic could be able to assess the benthic ecological status of Bohai Bay under the organic pollutants pressure.     

Distribution and diversity of macrobenthic communities in the Jiangsu Reach of the Yangtze River北大核心CSCD

Macrobenthic communities are an important part of aquatic ecological system in the Yangtze River. Studies on macrobenthic community structure and diversity have important significance for development and protection of water resources in the Yangtze River. In this research, macrobenthic communities and their habitat in the Jiangsu Reach of the Yangtze River were investigated at 17 sites in May and September of 2013. Shannon-wiener diversity index was used to assess the diversity of macrobenthic communities. The results showed that there were 36 species at these 17 sites; the abundance and diversity of macrobenthic community were the highest in the Nanjing Reach and the Changzhou Reach, the lowest in the Nantong Reach of the Yangtze River. Nephthys sp., Grandidierella chaohuensis sp., Gammarus sp., Tubifex sp. and Limnodrilus hoffmeisteri were the dominant taxa in the Jiangsu Reach of the Yangtze River. Cluster analysis based on species abundance yielded four groups among the 17 sites. One-way analysis of similarity (ANOSIM) suggested significant differences in macrobenthic community structure among the four groups (P < 0.05). The results indicated that factors including aquatic plants, water flow velocity, sediment types and channels can influence the distribution and diversity of macrobenthic communities in the Jiangsu Reach of the Yangtze River.     

Screening of the marine actinomycetes with anti-complement activity and isolation of the active fractions北大核心CSCD

Studies on anti-complement agents are essential for the development of drugs to treat various diseases caused by excessive or abnormal activation of the complement system. However, studies on microbial-derived anti-complement agents are still very limited. The anti-complement activities of 42 marine-derived actinomycete strains isolated from the sediment samples collected from Xinghai Bay in Dalian were studied using the hemolysis method. In addition, the active fractions of the strain Streptomyces sp. DUT11 were separated by C18 and Sephadex LH-20 column chromatography, and the active compounds with anti-complement activity were identified. Streptomyces strains S187, M5, S088, M8, S063, DUT11 and MD16 showed good anti-complement activities upon being cultured in TSB medium, with the strain DUT11 showing the best anti-complement activity among these strains. When different fermentation media were tested, the highest anti-complement activity of DUT11 was observed in M33 fermentation medium. The anti-complement activity was 56.5% for the extract of supernatant and 60.8% for the extract of mycelia, respectively. Furthermore, three compounds with anti-complement activity were obtained from the active components, which were identified as 3-indolecarboxylic acid (1), p-hydroxy benzoic acid (2) and 2-pyrrolecarboxylic acid (3). These results demonstrated that marine-derived streptomycetes can be employed to produce active compounds with anti-complement activity. This study presents a new alternative for the utilization of marine actinomycetes and provides a basis for the exploration of new anti-complement agents. © 2018 Science Press. All rights reserved.     

An assessment of air pollution episodes in the urban area of athensfor the period 1984–1994

Air pollution episodes in the greater Athens area for the period 1984–1994 were examined to assess the type, frequency and repetitivity of air pollution in the examined area. The assessment depends strongly on the definition of an air pollution episode (APE), namely if it is the narrow or broad one. Results from the statistical analysis of the data record‐on the basis of the broad definition of the APE‐show a declining trend in the number of APEs especially for non‐photochemical species, a sharp increase of APEs from 1987 to 1993 due to high ozone levels and a similarly sharp decrease thereafter, and a decreasing trend of nitrogen dioxide episodes from the year 1992 thereon. Interannual examination of APEs shows that they occur in higher numbers during the period November to January and in the period May to July. Finally an examination of the number of days for which urgent‐short term‐measures were taken to reduce high levels of atmospheric pollution, shows a decreasing trend from 1989, with the exception of 1994 where the sharp increase in the number of days is due to the application of the urgent measures at a precautionary mode, i.e. when pollution loads exceed the alert levels, air pollution increases in rapid rates and meteorological conditions are supportive for an enhanced APE.     

Project Tocoen. the fate of selected pollutants in the environment. Part XIX. the phytotoxicity of organic and inorganic pollutants‐cadmium. The effect of cadmium on the growth of germinating maize plants

The effect of increasing cadmium concentration (10, 100 and 1000 μmol dm^‐3) on the growth, leaf area, content of assimilation pigments, cadmium content and the regulatory ability of the tissue of maize plants was investigated.

The results obtained document, already after 6 days, a significant decrease of dry weight, reduction of leaf area, chlorophyll a and b as well as carotenoids in plants grown in the nutrient solution containing 1000 μmol dm ^‐3 of cadmium. A highly significant inhibition of growth, leaf area and assimilation pigments in plants growing in the nutrient solutions with 100 and 10 μmol dm^‐3 of cadmium was registered after 17 days of cultivation. In plants growing in the nutrient solution containing 100 μmol dm^‐3 of cadmium a demonstrable reduction of the content of assimilation pigments was registered after 11 days of culture.

With increasing cadmium concentration in the nutrient solution as well as in the plant tissue after 6 and 17 days of culture both the range of the regulatory zone and the extent of optimum pH increased into the acid region. The pH values of the isoelectric point decreased with increasing cadmium content in the solution.     

Chemical composition of the mycelium of Daldinia eschscholtzii北大核心CSCD

To investigate the chemical composition of the fungus Daldinia eschscholtzii, the compounds were separated by silica gel, Sephadex LH-20, and preparative chromatography. Their structures were identified by spectral methods. The MTT method was applied to measure the cytotoxicity of representative components. Eleven compounds were isolated and identified as 3β-hydroxyl-6,22-dien-5α,8α-peroxynitrite (1); ergosterol-9(11)-dehydroperoxide (2); mangiferonic acid (3); ergosta-4,6,8 (14),22-tetraen-3-one (4); (+)-syringaresinol (5); 3,5,3',5'-tetramethoxy-4,4,-diphenol (6); 5-methoxycoumarin (7); 5-hydroxy-2-methyl-4H-chromen-4-one (8); (2R,4R)-3,4-dihydro-5-methoxy-2-methyl-2H-1-benzopyran-4-ol (9); 2,3-dihydro-5-methoxy-2-methylchromen-4-one (10); and 7β-caruilignan C (11), respectively. Compound 4 showed inhibitory activity against H1299, H460, HGC-27, A5491, and MNK-45, with the IC50 value of 25.2 ± 2.9, 32.3 ± 4.2, 29.2 ± 1.2, 33.9 ± 3.7, and 18.0 ± 7.0 μmol/L, respectively. © 2018 Science Press. All rights reserved.     

Preserving the maritime cultural heritage of the Mediterranean,a cradle of cultures,religions and civilizations—the holy land perspective

The article presents the main ancient marine sites of the Holy Land, points the endangered sites and the needed preservation activities. The ancient cultural heritage existing on the Mediterranean shores reflect important events in the history of humanity. It represents numerous important cultures, religions and traditions. This coastal and underwater heritage is rapidly eroded due to sea level rise, global changes and rapid coastal development. Actions taken by the state of Israel to rescue, protect and preserve the marine cultural heritage include: underwater rescue surveys, coastal erosion monitoring, risk assessment surveys and pilot projects for protecting and preserving the sea front of the antique sites at Akko, Apollonia and Ashkelon. Israel proposes that the Mediterranean and European countries will establish a collaborative project aimed at mapping the cultural recourses and establishing master plans for the protection and preservation of the marine and coastal cultural heritage of the Mediterranean.     

Sustainable tourism development including the enhancement of cultural heritage in the city of Nafpaktos – Western Greece

ABSTRACT

The application of a sustainable tourism management and development framework, including the enhancement of cultural heritage is presented for the city of Nafpaktos (Western Greece) and the surrounding area. Through a qualitative SWOT analysis and a quantitative Limits of Acceptable Change (LAC)–Tourism Carrying Capacity (TCC) framework, an attempt is made to establish thresholds, monitor current conditions, and upgrade tourism activities, with simultaneous development of the tourism-associated economic sectors and the cultural heritage of the city. Activity zones are identified and 18 indicators are selected to describe the environmental/cultural, economic, and social conditions of the area. Reference conditions for each indicator are established either as measured or negotiated thresholds and indicators are accordingly scored to depict the current divergence from reference. The Leopold matrix is used to compare scores and identify restrictions of development. Results reveal high potential for sustainable tourism development of the area, as 9 of 18 indicators received high scores, indicating sustainable conditions, and a variety of underdeveloped tourism endpoints were identified, including the castle of the city, which could potentially support a 90-fold increase in tourism flow. However, restricting factors of development were detected, related to the lack of a tourism management plan, the weak on-site protection of the natural and cultural heritage and the lack of awareness for sustainability among the local people. A strategic plan is finally proposed to provide managers, stakeholders, and the local communities with a guiding framework to upgrade the tourism flow in and around the city within a step-by-step sustainable process.