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.     

昆明市污水排水系统产甲烷规律的模拟实验研究

通过对昆明市餐饮和居民生活污水厌氧模拟实验研究,初步探讨生活污水中CH4的产生规律,实验结果表明,在自然条件下,餐饮和居民生活污水中产生的甲烷浓度最大值分别为1.63 mg/L和3.82 mg/L。并且将COD、硫酸盐、硫化物、TN的浓度变化与甲烷浓度变化进行Pearson简单相关性分析,结果表明,1/COD、COD/硫酸盐和1/TN与甲烷在置信度为0.01时极显著相关,硫化物与甲烷在置信度为0.05时不相关;COD、硫酸盐和TN浓度的变化对生活污水中甲烷的产生起关键性作用。对居民生活污水中甲烷产生规律进行温度和pH控制分析研究,实验结果表明,生活污水在25~30℃时,24 h内甲烷产生量最大值为8.6494 mg/L,明显大于其他温度段的甲烷产生量;在pH为7~8之间时,甲烷的产生量在24 h内达到的最大值为3.0477 mg/L,明显高于其他pH控制段的甲烷产生量。     

季节性城市生活垃圾成分分析及厌氧消化特性研究

城市生活垃圾的成分及特性随着季节和人类在不同季节的生活习惯而变化,针对我国北方城市研究了一年中不同季节的城市生活垃圾成分特点,对影响厌氧发酵过程的相关成分如总有机碳（TOC）、总氮（TN）、蛋白质、脂肪和还原糖等进行了测定分析。通过厌氧消化实验,测得不同季节城市生活垃圾pH值、日产气量、沼气甲烷含量、甲烷累积量、挥发性脂肪酸（VFAs）和氧化还原电位（ORP）等参数的变化规律,分析相应变化的影响因素。结果表明,二、三季度的含水率分别为64．81％和67．50％,高于一、四季度,一季度发酵原料中蛋白质和脂肪含量分别为12．56％和8．86％,明显高于其他3个季度。一季度甲烷累积量最高,达到17616mL,单位发酵原料的产气量为204．8mL／g,也是4个季度中最高的,说明蛋白质、脂肪等有机成分含量对厌氧发酵过程及结果影响比较明显。为进一步的城市生活垃圾厌氧消化制取生物燃气的工艺条件提供依据。     

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.     

Life cycle assessment of waste paper management: The importance of technology data and system boundaries in assessing recycling and incineration

The significance of technical data, as well as the significance of system boundary choices, when modelling the environmental impact from recycling and incineration of waste paper has been studied by a life cycle assessment focusing on global warming potentials. The consequence of choosing a specific set of data for the reprocessing technology, the virgin paper manufacturing technology and the incineration technology, as well as the importance of the recycling rate was studied. Furthermore, the system was expanded to include forestry and to include fossil fuel energy substitution from saved biomass, in order to study the importance of the system boundary choices. For recycling, the choice of virgin paper manufacturing data is most important, but the results show that also the impacts from the reprocessing technologies fluctuate greatly. For the overall results the choice of the technology data is of importance when comparing recycling including virgin paper substitution with incineration including energy substitution. Combining an environmentally high or low performing recycling technology with an environmentally high or low performing incineration technology can give quite different results. The modelling showed that recycling of paper, from a life cycle point of view, is environmentally equal or better than incineration with energy recovery only when the recycling technology is at a high environmental performance level. However, the modelling also showed that expanding the system to include substitution of fossil fuel energy by production of energy from the saved biomass associated with recycling will give a completely different result. In this case recycling is always more beneficial than incineration, thus increased recycling is desirable. Expanding the system to include forestry was shown to have a minor effect on the results. As assessments are often performed with a set choice of data and a set recycling rate, it is questionable how useful the results from this kind of LCA are for a policy maker. The high significance of the system boundary choices stresses the importance of scientific discussion on how to best address system analysis of recycling, for paper and other recyclable materials.     

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.