Characterization of the structure and iron uptake mechanisms of the Staphylococcus aureus ferric hydroxamate-binding lipoprotein FhuD2

The Reverse Vaccinology (RV) approach allows using genomic information for the delineation of new protein-based vaccines starting from an in silico analysis. The first powerful example of the application of the RV approach is given by the development of a protein-based vaccine against serogroup B Meningococcus. A similar approach was also used to identify new Staphylococcus aureus vaccine candidates, including the ferric hydroxamate-binding lipoprotein FhuD2. S. aureus is a widespread human pathogen, which employs various different strategies for iron uptake, including: (i) siderophore-mediated iron acquisition using the endogenous siderophores staphyloferrin A and B, (ii) siderophore-mediated iron acquisition using xeno-siderophores (the pathway exploited by FhuD2) and (iii) heme-mediated iron acquisition. In this work the high resolution crystal structure of FhuD2 in the iron (III)-siderophore-bound form was determined. FhuD2 belongs to the Periplasmic Binding Protein family (PBP ) class III, and is principally formed by two globular domains, at the N- and C-termini of the protein, that make up a cleft where ferrichrome-iron (III) is bound. The N- and C-terminal domains, connected by a single long α-helix, present Rossmann-like folds, showing a β-stranded core and an α-helical periphery, which do not undergo extensive structural rearrangement when they interact with the ligand, typical of class III PBP members. The structure shows that ferrichrome-bound iron does not come directly into contact with the protein; rather, the metal ion is fully coordinated by six oxygen donors of the hydroxamate groups of three ornithine residues, which, with the three glycine residues, make up the peptide backbone of ferrichrome. Furthermore, it was found that iron-free ferrichrome is able to subtract iron from transferrin. This study shows for the first time the structure of FhuD2, which was found to bind to siderophores ,and that the protein plays an important role in S. aureus colonization and infection phases.

Structure and properties of intermetallic ternary rare earth compounds

The so called material science is an always growing field in modern research. For the development of new materials not only the experimental characterization but also theoretical calculation of the electronic structure plays an important role. A class of compounds that has attracted a great deal of attention in recent years is known as REME compounds. These compounds are often referred to with RE designating rare earth, actinide or an element from group 1 - 4, M representing a late transition metal from groups 8 - 12, and E belonging to groups 13 - 15. There are more than 2000 compounds with 1:1:1 stoichiometry belonging to this class of compounds and they offer a broad variety of different structure types. Although many REME compounds are know to exist, mainly only structure and magnetism has been determined for these compounds. In particular, in the field of electronic and transport properties relatively few efforts have been made. The main focus in this study is on compounds crystallizing in MgAgAs and LiGaGe structure. Both structures can only be found among 18 valence electron compounds. The f electrons are localized and therefor not count as valence electrons. A special focus here was also on the magnetoresistance effects and spintronic properties found among the REME compounds. An examination of the following compounds was made: GdAuE (E = In, Cd, Mg), GdPdSb, GdNiSb, REAuSn (RE = Gd, Er, Tm) and RENiBi (RE = Pr, Sm, Gd - Tm, Lu). The experimental results were compared with theoretic band structure calculations. The first half metallic ferromagnet with LiGaGe structure (GdPdSb) was found. All semiconducting REME compounds with MgAgAs structure show giant magnetoresistance (GMR) at low temperatures. The GMR is related to a metal-insulator transition, and the value of the GMR depends on the value of the spin-orbit coupling. Inhomogeneous DyNiBi samples show a small positive MR at low temperature that depends on the amount of metallic impurities. At higher fields the samples show a negative GMR. Inhomogeneous nonmagnetic LuNiBi samples show no negative GMR, but a large positive MR of 27.5% at room temperature, which is interesting for application.

Electronic structure and physical properties of Heusler compounds for thermoelectric and spintronic applications

This thesis focuses on synthesis as well as investigations of the electronic structure and properties of Heusler compounds for spintronic and thermoelectric applications.rnThe first part reports on the electronic and crystal structure as well as the mechanical, magnetic, and transport properties of the polycrystalline Heusler compound Co2MnGe. The crystalline structure was examined in detail by extended X-ray absorption fine structure spectroscopy and anomalous X-ray diffraction. The low-temperature magnetic moment agrees well with the Slater-Pauling rule and indicates a half-metallic ferromagnetic state of the compound, as is predicted by ab-initio calculations. Transport measurements and hard X-ray photoelectron spectroscopy (HAXPES) were performed to explain the electronic structure of the compound.rnA major part of the thesis deals with a systematical investigation of Heusler compounds for thermoelectric applications. Few studies have been reported on thermoelectric properties of p-type Heusler compounds. Therefore, this thesis focuses on the search for new p-type Heusler compounds with high thermoelectric efficiency. The substitutional series NiTi1−xMxSn and CoTi1−xMxSb (where M = Sc, V and 0 ≤ x ≤ 0.2) were synthesized and investigated theoretically and experimentally with respect to electronic structure and transport properties. The results show the possibility to create n-type and p-type thermoelectrics within one Heusler compound. The pure compounds showed n-type behavior, while under Sc substitution the system switched to p-type behavior. A maximum Seebeck coefficient of +230 μV/K (at 350 K) was obtained for NiTi0.26Sc0.04Zr0.35Hf0.35Sn, which is one of the highest values for p-type thermoelectric compounds based on Heusler alloys up to now. HAXPES valence band measurement show massive in gap states for the parent compounds NiTiSn, CoTiSb and NiTi0.3Zr0.35Hf0.35Sn. This proves that the electronic states close to the Fermi energy play a key role for the behavior of the transport properties. Furthermore, the electronic structure of the gapless Heusler compounds PtYSb, PtLaBi and PtLuSb were investigated by bulk sensitive HAXPES. The linear behavior of the spectra close to εF proves the bulk origin of Dirac-cone type density of states. Furthermore, a systematic study on the optical and transport properties of PtYSb is presented. The compound exhibits promising thermoelectric properties with a high figure of merit (ZT = 0.2) and a Hall mobility μh of 300 cm2/Vs at 350 K.rnThe last part of this thesis describes the linear dichroism in angular-resolved photoemission from the valence band of NiTi0.9Sc0.1Sn and NiMnSb. High resolution photoelectron spectroscopy was performed with an excitation energy of hν = 7.938 keV. The linear polarization of the photons was changed using an in-vacuum diamond phase retarder. Noticeable linear dichroism is found in the valence bands and this allows for a symmetry analysis of the contributing states. The differences in the spectra are found to be caused by symmetry dependent angular asymmetry parameters, and these occur even in polycrystalline samples without preferential crystallographic orientation.rnIn summary, Heusler compounds with 1:1:1 and 2:1:1 stoichiometry were synthesized and examined by chemical and physical methods. Overall, this thesis shows that the combination of first-principle calculations, transport measurements and high resolution high energy photoelectron spectroscopy analysis is a very powerful tool for the design and development of new materials for a wide range of applications from spintronic applications to thermoelectric applications.rn

Novel investigation methods in Computational Social Dynamics and Complex Systems

In this thesis the evolution of the techno-social systems analysis methods will be reported, through the explanation of the various research experience directly faced. The first case presented is a research based on data mining of a dataset of words association named Human Brain Cloud: validation will be faced and, also through a non-trivial modeling, a better understanding of language properties will be presented. Then, a real complex system experiment will be introduced: the WideNoise experiment in the context of the EveryAware european project. The project and the experiment course will be illustrated and data analysis will be displayed. Then the Experimental Tribe platform for social computation will be introduced . It has been conceived to help researchers in the implementation of web experiments, and aims also to catalyze the cumulative growth of experimental methodologies and the standardization of tools cited above. In the last part, three other research experience which already took place on the Experimental Tribe platform will be discussed in detail, from the design of the experiment to the analysis of the results and, eventually, to the modeling of the systems involved. The experiments are: CityRace, about the measurement of human traffic-facing strategies; laPENSOcosì, aiming to unveil the political opinion structure; AirProbe, implemented again in the EveryAware project framework, which consisted in monitoring air quality opinion shift of a community informed about local air pollution. At the end, the evolution of the technosocial systems investigation methods shall emerge together with the opportunities and the threats offered by this new scientific path.

Thermal structure and dynamical modeling of a Mediterranean tropical-like cyclone

In the present work, a detailed analysis of a Mediterranean TLC occurred in January 2014 has been conducted. The author is not aware of other studies regarding this particular event at the publication of this thesis. In order to outline the cyclone evolution, observational data, including weather-stations data, satellite data, radar data and photographic evidence, were collected at first. After having identified the cyclone path and its general features, the GLOBO, BOLAM and MOLOCH NWP models, developed at ISAC-CNR (Bologna), were used to simulate the phenomenon. Particular attention was paid on the Mediterranean phase as well as on the Atlantic phase, since the cyclone showed a well defined precursor up to 3 days before the minimum formation in the Alboran Sea. The Mediterranean phase has been studied using different combinations of GLOBO, BOLAM and MOLOCH models, so as to evaluate the best model chain to simulate this kind of phenomena. The BOLAM and MOLOCH models showed the best performance, by adjusting the path erroneously deviated in the National Centre for Environmental Prediction (NCEP) and ECMWF operational models. The analysis of the cyclone thermal phase shown the presence of a deep-warm core structure in many cases, thus confirming the tropical-like nature of the system. Furthermore, the results showed high sensitivity to initial conditions in the whole lifetime of the cyclone, while the Sea Surface Temperature (SST) modification leads only to small changes in the Adriatic phase. The Atlantic phase has been studied using GLOBO and BOLAM model and with the aid of the same methodology already developed. After tracing the precursor, in the form of a low-pressure system, from the American East Coast to Spain, the thermal phase analysis was conducted. The parameters obtained showed evidence of a deep-cold core asymmetric structure during the whole Atlantic phase, while the first contact with the Mediterranean Sea caused a sudden transition to a shallow-warm core structure. The examination of Potential Vorticity (PV) 3-dimensional structure revealed the presence of a PV streamer that individually formed over Greenland and eventually interacted with the low-pressure system over the Spanish coast, favouring the first phase of the cyclone baroclinic intensification. Finally, the development of an automated system that tracks and studies the thermal phase of Mediterranean cyclones has been encouraged. This could lead to the forecast of potential tropical transition, against with a minimum computational investment.

German validation of the Conners Adult ADHD Rating Scales–self-report (CAARS-S) I: Factor structure and normative data

Attention-deficit/hyperactivity disorder (ADHD) often persists into adulthood. Instruments for diagnosing ADHD in childhood are well validated and reliable, but diagnosis of ADHD in adults remains problematic. Attempts have been made to develop criteria specific for adult ADHD, resulting in the development of self-report and observer-rated questionnaires. To date, the Conners Adult ADHD Rating Scales (CAARS) are the international standard for questionnaire assessment of ADHD. The current study evaluates a German version of the CAARS self-report (CAARS-S).

Caregivers' Social Capital and Satisfaction with their Children's Service Providers

The authors examine children's access to and caregiver's satisfaction with organizations that provide leisure time activities for children on Saturdays. The authors argue that access and satisfaction are a function of familie's financial, cultural and social capital. Using data on 1,036 households in the Phoenix metropolitan area in 2003-04, the authors found that families' financial and cultural capital affected whether or not children participate din activities organized by organizations, but family ties to the organization directly (e.g., either worked there, volunteered, donated) resulted in caregivers being more satisfied with the services. The authors also found that the benefits of network closure (caregivers knowing the parents of other children on site) were greater the riskier the activities of the child (e.g., sports or cheerleading). Contrary to the authors expectations, having family or friends in the area did not affect caregiver's satisfaction with the child's provider.

Capitals and capabilities: linking structure and agency to reduce health inequalities

While empirical evidence continues to show that low socio-economic position is associated with less likely chances of being in good health, our understanding of why this is so remains less than clear. In this paper we examine the theoretical foundations for a structure-agency approach to the reduction of social inequalities in health. We use Max Weber's work on lifestyles to provide the explanation for the dualism between life chances (structure) and choice-based life conduct (agency). For explaining how the unequal distribution of material and non-material resources leads to the reproduction of unequal life chances and limitations of choice in contemporary societies, we apply Pierre Bourdieu's theory on capital interaction and habitus. We find, however, that Bourdieu's habitus concept is insufficient with regard to the role of agency for structural change and therefore does not readily provide for a theoretically supported move from sociological explanation to public health action. We therefore suggest Amartya Sen's capability approach as a useful link between capital interaction theory and action to reduce social inequalities in health. This link allows for the consideration of structural conditions as well as an active role for individuals as agents in reducing these inequalities. We suggest that people's capabilities to be active for their health be considered as a key concept in public health practice to reduce health inequalities. Examples provided from an ongoing health promotion project in Germany link our theoretical perspective to a practical experience.

Fine-scale genetic structure and dispersal in the common vole (Microtus arvalis)

The genetic structure and demography of local populations is tightly linked to the rate and scale of dispersal. Dispersal parameters are notoriously difficult to determine in the field, and remain often completely unknown for smaller organisms. In this study, we investigate spatial and temporal genetic structure in relation to dispersal patterns among local populations of the probably most abundant European mammals, the common vole (Microtus arvalis). Voles were studied in six natural populations at distances of 0.4-2.5 km in three different seasons (fall, spring, summer) corresponding to different life-history stages. Field observations provided no direct evidence for movements of individuals between populations. The analysis of 10 microsatellite markers revealed a persistent overall genetic structure among populations of 2.9%, 2.5% and 3% FST in the respective season. Pairwise comparisons showed that even the closest populations were significantly differentiated from each other in each season, but there was no evidence for temporal differentiation within populations or isolation by distance among populations. Despite significant genetic structure, assignment analyses identified a relatively high proportion of individuals as being immigrants for the population where they were captured. The immigration rate was not significantly lower for females than for males. We suggest that a generally low and sex-dependent effective dispersal rate as the consequence of only few immigrants reproducing successfully in the new populations together with the social structure within populations may explain the maintenance of genetic differentiation among populations despite migration.

The coevolution of cooperation and dispersal in social groups and its implications for the emergence of multicellularity

Background Recent work on the complexity of life highlights the roles played by evolutionary forces at different levels of individuality. One of the central puzzles in explaining transitions in individuality for entities ranging from complex cells, to multicellular organisms and societies, is how different autonomous units relinquish control over their functions to others in the group. In addition to the necessity of reducing conflict over effecting specialized tasks, differentiating groups must control the exploitation of the commons, or else be out-competed by more fit groups. Results We propose that two forms of conflict – access to resources within groups and representation in germ line – may be resolved in tandem through individual and group-level selective effects. Specifically, we employ an optimization model to show the conditions under which different within-group social behaviors (cooperators producing a public good or cheaters exploiting the public good) may be selected to disperse, thereby not affecting the commons and functioning as germ line. We find that partial or complete dispersal specialization of cheaters is a general outcome. The propensity for cheaters to disperse is highest with intermediate benefit:cost ratios of cooperative acts and with high relatedness. An examination of a range of real biological systems tends to support our theory, although additional study is required to provide robust tests. Conclusion We suggest that trait linkage between dispersal and cheating should be operative regardless of whether groups ever achieve higher levels of individuality, because individual selection will always tend to increase exploitation, and stronger group structure will tend to increase overall cooperation through kin selected benefits. Cheater specialization as dispersers offers simultaneous solutions to the evolution of cooperation in social groups and the origin of specialization of germ and soma in multicellular organisms.

Enabling Access to Welfare Services - the Place of Social Solidarity and Dialogue

The welfare state in the UK presents immigrant communities with a set of institutions, which are potentially new and unknown. What is the best way to ensure that the questions of access to the welfare institutions are best managed? Trusting, understanding and feeling solidarity with the welfare state will obviously help with this problem. In order to shed light on this phenomenon, this paper presents a qualitative exploratory study dealing with elements of solidarity as perceived by members of the South Asian Community in the UK. Six indepth interviews with South Asian first generation immigrants who had never experienced mental health problems were conducted. They were asked questions about who their support networks would be in the event of them experiencing mental health problems. The thematic analysis of the interviews suggests that the respondents believed that solidarity and support ties are found to be present in families, within the south Asian community and also with welfare institutions. It is concluded that there although things are far from perfect, assimilation and integration based on dialogue is an observable positive aspect of mental health service provision in the UK.

The interaction of generic structure and interpersonal relations in two-party e-chat discourse

On the basis of a corpus of e-chat IRC exchanges (approximately 10,000 words in total) between Greek- and English-speaking speakers, the paper establishes a typical generic structure for two-party IRC exchanges, by focusing on how participants are oriented towards an ideal schema of phases and acts, as well as on how their interpersonal concerns contribute to the shaping of this schema. It is found that IRC interlocutors are primarily concerned with establishing contact with each other, while the (ideational) development of topic seems to be a less pressing need. The signaling of interpersonal relations is pervasive throughout e-chat discourse, as seen both in the range of devices developed and the two free elements of the generic schema, that is conversation play and channel check. It is also found that the accomplishment of the generic schema in each IRC exchange crucially depends on the acts of negotiation performed by the initiator and the responder.

Turkey. A Generalist Approach in Social Work Education

A global review of social work education reveals considerable similarity among countries as well as significant differences. Historically, programs of social work education are informed by humanistic values and encompass knowledge of social problems, an understanding of individuals and their environment in interaction, and method of intervention into social and human difficulties. At the same time, structure of social work within the educational system and the length of training vary considerably from country to country. There is no serious international standards' setting for social work education, programs, educators and students around the world. Education programs exist at differing levels of education and for differing periods of time. There are no worldwide data on the number and qualifications of teachers of social work, the number and characteristics of social work students, variations in curricula and type of practicum (Hokeenstad and Kendall, 2001; Hokenstad, Midgley, 1998). North American and European models have had a major influence on social work educational programs in most parts of the world, especially developing countries. Still, the amount of western influence on social work education in developing countries is an issue that continues to be discussed (Hockenstad, Khinduka and Midgley, 1992; Frumkin, Lloyd, 2001). The programs in practice in Europe and North America have influenced the implementation of social work education programs. In recent years this influence has had a big part in the acceptance of the generalist approach. It is very important that social work education programs must be planned in accordance with the social structure and the development process of the society. Because of this, information on the social indicators and social welfare services will be given first then social work education will be stressed upon.

Social Work, Social Politics and Justice

"The disaster does not primarily lie in people and in the way that they perceive the circumstances, rather in the circumstances that doom people to powerlessness and apathy - circumstances which they could, however, change" (Adorno, 1966, p. 189). When Karl Marx writes to Friedrich Sorge in his letter of the 19.10.1877, regarding his critique of the opinion of his opponents Dühring & Co., that one must deal with "a whole crowd of immature students and pompous doctors who claim to give socialism a 'higher, ideal' turn, that is to say, to replace the materialistic basis (that demands serious, objective study if one wants to operate on it)… with modern mythology by means of their goddesses of justice, freedom, equality and fraternité" (Marx, 1973, p. 303; cf. Schiller, 1993, p. 199 onwards), this thus refers to fundamental problems with the concept of "justice" up until today. As the debate shows, it concerns the contextualization of the term "justice", its meaning in historically concrete as well as socio-political circumstances, and therefore a social analysis that is both representation and critique. Essentially it also concerns the question of the relationship between ideas and reality and the development of standards of historical systematic 'nature' out of social frameworks (see Frey, 1978; Theunissen, 1989).