Solvent participation in Serratia marcescens endonuclease complexes

The monomer and dimer of the bacterium Serratia marcescens endonuclease (SMnase) are each catalytically active and the two subunits of the dimer function independently of each other. Specific interfacial waters may play a role in stability, complex formation, and functionality. We performed molecular dynamics simulations of both a subunit of SMnase and its model built complex with DNA and analyzed the relation of the hydration sites to the catalytic mechanism. It was found that the binding of DNA has little influence on the global hydration properties of the protein, including occupancy and water residence time distributions. DNA and protein recognition in our model mainly involves direct contacts by hydrogen bond and hydrophobic interactions. Water-mediated contacts exist, but are less common. Three interior water clusters were identified for SMnase. One cluster around the active site in the monomer-DNA complex shows relatively strong interactions between hydration sites as well as between the sites and the biomolecules. The simulated cluster properties agreed well with experimental data. The magnesium ion shows ligand exchange. Although Mg2+ keeps six ligands during the entire simulation, upon the binding of DNA, Asn119 loses its coordination with Mg2+, while one nonbridging oxygen of the phosphate of a DNA residue and two oxygen atoms of the side chain of Glu127 become the ligands. Waters in a nearby cluster exchange and participate in the resolvation of groups in the presence of DNA. Water thus not only participates in the cleavage of DNA but also can stabilize the transition state and the leaving groups in our model.     

A concise and practical synthesis of antigenic globotriose, alpha-D-Gal-(1-->4)-beta-D-Gal-(1-->4)-beta-D-Glc

A concise and practical synthesis of the antigenic globotriose, alpha-D-Gal-(1-->4)-beta-D-Gal-(1-->4)-beta-D-Glc (13), was achieved by coupling of a monosaccharide donor, 3-O-allyl-2-O-benzoyl-4,6-O-benzylidene-alpha-D-galactopyranosyl trichloroacetimidate (4) with a disaccharide acceptor, p-methoxyphenyl 2,3,6-tri-O-benzoyl-beta-D-galactopyranosyl-(1-->4)-2,3,6-tri-O-benzoyl-beta-D-glucopyranoside (8), followed by deprotection. In spite of the existence of a C-2-ester substituent capable of neighboring-group participation in the donor, the coupling gave exclusively the alpha-linkage in satisfactory yield. The acceptor 8 was readily obtained from selective 3-O-benzoylation of the galactosyl ring of p-methoxyphenyl 2,6-di-O-benzoyl-beta-D-galactopyranosyl-(1-->4)-2,3,6-tri-O-benzoyl-beta-D-glucopyranoside (7), which was prepared from p-methoxyphenyl beta-D-lactoside (5) via isopropylidenation, benzoylation, and deisopropylidenation. Donor 4 was obtained from p-methoxylphenyl 3-O-allyl-2,4,6-tri-O-benzoyl-beta-D-galactopyranoside (1) via selective 4,6-di-O-debenzoylation, oxidative removal of 1-O-MP, benzylidenation, and trichloroacetimidate formation.     

Power to the people: a wiki-governance model for biobanks

Biobanks are adopting various modes of public engagement to close the agency gap between participants and biobank builders. We propose a wiki-governance model for biobanks that harnesses Web 2.0, and which gives citizens the ability to collaborate in biobank governance and policymaking.     

Environmental education indicators system for protected areas management

A new perspective for the management effectiveness of protected areas needs the inclusion of social data for decision-making. In this process, environmental education (EE) plays a key role in catalyzing biological and social issues in the management process, but there are scarce data about this relationship. The objective of this paper is to develop, from an institutional bottom-up perspective, a proposal for a set of EE indicators that is easy to use by practitioners to measure the response of the EE program in relation to the conservation objectives of protected areas management plans. Using a combination of quantitative and qualitative techniques, a case study at the National Parks System of Colombia is presented, which is divided in five stages: 1. An EE evaluation survey on a national scale. 2. An interview phase with EE practitioners and NGOs. 3. EE objectives categorization. 4. Systematization process and 5. Focus group to evaluate the proposed set of indicators. A set of 5 EE indicators was developed to fulfill the identified needs: appropriation of information, articulation, participation quality, program implementation and continuity of EE process. We expect that this new approach for EE evaluation will hopefully be adopted in the update of management plans, as an innovative tool that contributes to the effectiveness assessment of protected areas, integrating a more social and participative focus.     

Synthesis of 6-deoxy-5-thio-d-glucose

Three routes were investigated for the conversion of d-glucose into the title compound. In the first approach, reduction of the 5,6-thürane ring of 5,6-dideoxy-5,6-epithio-1,2-O-isopropylidene α-d-glucofuranose (17) as well as that of its 3-O-allyl derivative (13) with lithium aluminium hydride was investigated; 17 afforded the corresponding 6-deoxy derivative besides di-, tri-, and poly-mers, whereas only polymers were formed from 13. In the second approach, the oxirane ring of was reduced by sodium borohydride and the resulting 6-deoxy derivative was converted into the 5-thiobenzoate; the corresponding hex-4-enofuranose was formed as a byproduct. In the third approach partial mesylation of methyl 5-thio-α-d-glucopyranoside was attempted, but the 6-mesylate 27 could be isolated only in modest yield (28%) together with rearranged 2,5-thioanhydromannofuranoside derivatives. The mechanism of this rearrangement is discussed in detail. The 6-mesylate 27 was converted via the 6-iodo derivative into the title compound.     

Effects of Lifetime Exposure to Shiftwork on Fitness for Duty in Police Officers

Aging and demographic changes in Europe and other global economies have led to a discussion about postponing the legal retirement age; however, health and safety consequences for the workforce have not yet been examined. Thus, the aim of this study was to investigate the effects of lifetime exposure to shiftwork on health impairments and fitness for duty. Two samples of the police force from one of the states of the Federal Republic of Germany were used. One sample was collected in 2008–2009 with a self-administered Internet questionnaire (n?=?705); the other sample was derived from employment records provided by the police force of the same federal state for the years 2002–2009 (n?=?2460). Both samples contained information about the number of years worked in shiftwork across the entire working life and impairments to fitness for duty assessed by occupational physicians. Thus, the number of years of shiftwork until the diagnosis of the first reduction in fitness for duty could be calculated. Survival analyses were performed to estimate the risk (hazard rate) for experiencing a reduction in fitness for duty across lifetime exposure to shiftwork in years, controlling for age, sex, work type, and police district. Hazard estimates were compared across both samples to cross-validate the results. The findings indicated an increase in the risk of reduced fitness for duty with increasing number of years in shiftwork during the working life in both samples. The hazard rates followed an exponential trend, indicating a rapid increase in health impairments in particular beyond 20 yrs of shiftwork. These findings were consistent in both samples, collected with different methods and over different time periods, thus indicating high validity. Therefore, occupational stress factors, such as exposure to shiftwork, need to be taken into account when discussing the postponement of the legal retirement age. (Author correspondence: anna.wirtz@gawo-ev.de)     

Procedures and tools for generating and selecting alternatives in LCA

Life Cycle Assessments (LCAs) frequently do not contribute to sustainable development because product alternatives with a truly low environmental burden are not included in the assessment. As a result, environmentally-friendly alternatives are not uncovered, although much effort has been put into collecting inventory data and making an impact assessment. Part of this problem is caused by the defensive use of LCAs. Companies eager to show that their product is not too bad for the environment prefer to compare their product with alternatives that are not very promising in an environmental sense. To (mis)use LCAs in this way is quite easy, because the LCA methodology and handbooks provide few guidelines and little advice on how to generate and select adequate alternatives. An analysis of the problems related to the alternatives is given using insights drawn from the field of policy analysis — a field in which methodological rules for the generation of alternatives in policy studies have been developed — ecodesign and the LCA discipline, and measures to reduce the problems are developed. Explicating the different steps in the determination of alternatives in the goal and scope formulation stage of an LCA process, and the development of a toolbox for this activity, would certainly improve the quality of the selection of alternatives. Furthermore, involving stakeholders and a group of experts in the generation and selection process will increase the variety and relevance of alternatives, and the social support for alternatives.     

A unified framework for the restoration of Southeast Asian mangroves—bridging ecology, society and economics

The effect of intensive human intervention, poor socio-economic conditions and little knowledge on mangrove ecology pose enormous challenges for mangrove restoration in Southeast Asia. We present a framework for tropical mangrove restoration. Our proposed restoration framework addresses the ecology, economy and social issues simultaneously by considering the causes of mangrove degradation. We provide a step by step guideline for its restoration. We argue that although, ecological issues are of prime importance, economic and social issues must be considered in the restoration plan in order for it to be successful. Since mangrove ecology is not adequately studied in this region, local ecological knowledge can be used to fill the baseline information gaps. Unwanted human disturbance can be minimized by encouraging community participation. This can be ensured and sustained by facilitating the livelihood of the coastal community. We translated the restoration paradigm into a readily available practical guideline for the executors of the plans. We provide an example of mangrove restoration project that is closely related to our proposed framework. We are optimistic that this framework has the potential for universal application with necessary adjustments.     

The politics of immigration locally: alliances between political parties and immigrant organizations

Alliances are a political opportunity that reinforce the claims made by different players in the political sphere. However, the literature on the political participation of immigrants pays little attention to the formation of alliances and their effects on the interaction between immigrants and institutional actors, especially under circumstances of politicization. This article aims to explain the emergence of alliances between political parties and immigrant organizations when immigration is politicized locally. I argue that the need to legitimize the political parties’ position on the politicization guide their alliances with immigrants. Using qualitative methods, I analyse the emergence of alliances in the anti-Romanian-Roma campaign in Badalona and the burka ban in Lleida, both in Catalonia, Spain. The findings portray these relationships as the outcome of strategic interactions that respond to the balance of power between institutional and non-institutional actors.