Molecular docking: A potential tool to aid ecotoxicity testing in environmental risk assessment of pharmaceuticals

A cocktail of human pharmaceuticals pollute aquatic environments and there is considerable scientific uncertainty about the effects that this may have on aquatic organisms. Human drug target proteins can be highly conserved in non target species suggesting that similar modes of action (MoA) may occur. The aim of this work was to explore whether molecular docking offers a potential tool to predict the effects of pharmaceutical compounds on non target organisms. Three highly prescribed drugs, diclofenac, ibuprofen and levonorgestrel which regularly pollute freshwater environments were used as examples. Their primary drug targets are cyclooxygenase 2 (COX2) and progesterone receptor (PR). Molecular docking experiments were performed using these drugs and their primary drug target homologues for Danio rerio, Salmo salar, Oncorhynchus mykiss, Xenopus tropicalis, Xenopus laevis and Daphnia pulex. The results show that fish and frog COX2 enzymes are likely to bind diclofenac and ibuprofen in the same way as humans but that D. pulex would not. Binding will probably lead to inhibition of COX function and reduced prostaglandin production. Levonorgestrel was found to bind in the same binding pocket of the progesterone receptor in frogs and fish as the human form. This suggests implications for the fecundity of fish and frogs which are exposed to levonorgestrel. Chronic ecotoxicological effects of these drugs reported in the literature support these findings. Molecular docking may provide a valuable tool for ecotoxicity tests by guiding selection of test species and incorporating the MoA of drugs for relevant chronic test end points in environmental risk assessments.     

Development and application of LC–APCI–MS method for biomonitoring of animal and human exposure to imidacloprid

Imidacloprid (IMI) is a relatively new neuro-active neonicotinoid insecticide and nowadays one of the largest selling insecticides worldwide. In the present study a LC–APCI–MS based method was developed and validated for the quantification of imidacloprid and its main metabolite 6-chloronicotinic acid (6-CINA) in urine and hair specimens. The method was tested in biomonitoring of intentionally exposed animals and subsequently applied for biomonitoring of Cretan urban and rural population.     

畜禽沼液中抗生素和激素的微波处理

通过间歇处理和连续处理实验,探讨微波技术对沼液中四环素类抗生素和激素喹乙醇去除的效果。结果表明,沼液在微波间歇处理中,最优反应时间为40min。此条件下沼液中喹乙醇、土霉素、四环素和金霉素的去除率分别达到26％、49％、48％和70％;微波可显著提高可生化性,BOD5／COD值达到0．37。微波一好氧处理系统中COD与氨氮的去除率分别达到91％和93％,明显优于单独好氧处理。沼液微波连续处理中,最优HRT为90min,此时喹乙醇、土霉素、四环素和金霉素的去除率分别达到24％、45％、50％和74％;BOD5／COD值达到0．34。微波．好氧处理系统中COD与氨氮的去除率均为90％,优于单独好氧处理效果。     

化学降阻剂在山地环境中的应用研究

把山地环境划分为4种类型,并对各自的特点进行了分析.从导电机理和降阻机理两个方面分析了化学降阻剂的降阻功能,根据不同地质条件讨论了化学降阻剂的合理选择,并对化学降阻剂的应用方法和技术进行了研究,为山区防雷提供一定的参考价值.     

碳酸锶生产中"三废"综合利用研究

介绍了碳还原法生产碳酸锶过程中"三废"的主要成分;提出了用克劳斯燃烧法和吸收氧化法生产硫磺,用直接合成法和4级联合吸收法生产硫脲综合利用废气的途径;提出了2种治理废水方案,不仅达到脱硫、脱氮、降解有机物目的,而且还可得到硫磺、碳酸氢氨副产品;探讨了锶渣在砖、水泥的生产及公路工程建设中应用的可行性.     

大型测控设备的接地系统设计与探讨

介绍了接地的目的和种类,针对大型测控设备对接地电阻值的要求,提出了区域面积受限的接地系统设计方案,并对接地电阻进行了详细分析、计算和比较,选出了合理的接地方案进行施工,竣工后对接地系统的接地电阻值进行检测,检测结果满足测控设备接地电阻的要求.     

Making Capacity Building Meaningful: A Framework for Strategic Action

This paper aims to give practical meaning to ‘capacity building’ through (a) identifying a suite of practical measures, such as mentoring or best practice guidelines, that have been shown to or are considered to build human, social, institutional, and economic capital; (b) placing these measures within a broader systems framework; and (c) exploring stakeholder feedback on specific measures to inform framework implementation. The 29 measures described provide actors, whether government or nongovernment, with a suite of practical investment choices for building capacity. These measures are then clustered into eight groups according to their primary purpose and placed within a systems framework. The framework provides a tool for actors with responsibilities for or an interest in capacity building to inform more holistic and strategic targeting of effort and investment. Stakeholder feedback gathered through surveys and workshops is subsequently reported to further inform implementation of specific measures within the framework’s eight groupings. The framework presented may be built upon through the identification and inclusion of further capacity building measures. The research is conducted within the context of decentralized governance arrangements for natural resource management (NRM), with specific focus on Australia’s recently formalized 56 NRM regions and their community-based governing boards as an informative arena of learning. Application of the framework is explored in the Australian setting through the identification and comparison of measures supported and most preferred by four major stakeholder groups, namely board members, regional NRM organization staff, policy/research interests, and Indigenous interests. The research also examines stakeholder perceptions of capacity issues, and whether these issues are likely to be addressed through implementing their preferred measures.

The greenhouse gas balance of the Province of Siena

There is a profound debate over how to assign greenhouse gas (GHG) responsibilities; therefore, we have decided to follow IPCC guidelines, as they offer the only standardized method. We have identified each type of greenhouse emission and its level of absorption. We have studied the province and its districts and municipalities. We have determined that the energy sector is that with the highest level of emissions, even if the per capita emissions of the Province of Siena are very low. This is caused by a very low level of industrialization and the presence of a local geothermal production of energy. In order to highlight this aspect, we have considered scenarios both with and without geothermal production. Our research was then focused on single districts (groups of homogenous municipalities) and municipalities, where we found great differences among the greenhouse emissions of the areas. We have constructed a map of the greenhouse emissions of the whole province. It has been interesting to note that there are 14 municipalities with net negative emissions, seven with low positive emissions, 12 with medium positive emissions and three with elevated positive emissions. These latter correspond to the main city and to two of the most industrialized municipalities.     

Relationships between anaerobic consortia and removal efficiencies in an UASB reactor degrading 2,4 dichlorophenol (DCP)

To gain more insight into the interactions between anaerobic bacteria and reactor performances (chemical oxygen demand-COD, 2,4 dichlorophenol-2,4 DCP removals, volatile fatty acid-VFA, and methane gas productions) and how they depended on operational conditions the microbial variations in the anaerobic granular sludge from an upflow anaerobic sludge blanket (UASB) reactor treating 2,4 DCP was studied. The study was composed of two parts. In the first part, the numbers of methanogens and acedogens in the anaerobic granular sludge were counted at different COD removal efficiencies. The relationships between the numbers of methanogens, the methane gas production and VFA production were investigated. The COD removal efficiencies increased to 74% from 30% while the number of total acedogens decreased to 10 from 30 cfu ml(-1). The number of total methanogens and acedogens varied between 11 x 10(3) and 10 x 10(9)MPN g(-1) and 10 and 30 cfu ml(-1) as the 2,4 DCP removal efficiencies were obtained between 60% and 99%, respectively. It was seen that, as the number of total acedogens decreased, the COD removal efficiencies increased. However, the number of total methanogens increased as the COD removal efficiencies increased. Correlations between the bacterial number and with the removal efficiencies obtained in different operational conditions were investigated. From the results presented in this paper a high correlation between the number of bacteria, COD removals, methane gas percentage, 2,4 DCP removals and VFA was observed. In the second part, methanogen bacteria in the anaerobic granular sludge were identified. Microbial observations and biochemical tests were applied to identify the anaerobic microorganisms from the anaerobic granular sludge. In the reactor treating 2,4 DCP, Methanobacterium bryantii, Methanobacterium formicicum, Methanobrevibacter smithii, Methanococcus voltae, Methanosarcina mazei, Methanosarcina acetivorans, Methanogenium bourgense and Methanospirillum hungatei were identified.