Identifying and correcting non-Markov states in peptide conformational dynamics

Conformational transitions in proteins define their biological activity and can be investigated in detail using the Markov state model. The fundamental assumption on the transitions between the states, their Markov property, is critical in this framework. We test this assumption by analyzing the transitions obtained directly from the dynamics of a molecular dynamics simulated peptide valine-proline-alanine-leucine and states defined phenomenologically using clustering in dihedral space. We find that the transitions are Markovian at the time scale of ˜ 50 ps and longer. However, at the time scale of 30–40 ps the dynamics loses its Markov property. Our methodology reveals the mechanism that leads to non-Markov behavior. It also provides a way of regrouping the conformations into new states that now possess the required Markov property of their dynamics.

Sexuality and Christianity:understanding the attitudes and negotiations of young adults in the UK

Christianity has historically incorporated numerous strands of thinking on sexuality; in some cases, problematizing sexuality through the endorsement of celibacy and asceticism while at other historical and contextual moments, marriage and procreation become ideals (Price 2006). Contemporary Christians negotiate many sexual scripts (including ‘secular’ ones), but ‘appropriate’ Christian sexuality is still usually defined in terms of monogamy, the containment of sex within marriage, and heterosexuality. This chapter will explore the attitudes, beliefs and practices toward sexuality of young Christian women and men aged between 18 and 25 and living in the UK, based on a qualitative and quantitative research project entitled Religion, Youth and Sexuality: A Multi-faith Exploration, which utilized questionnaires, in-depth interviews and video diaries. The chapter will consider the variations in attitude between young people from different Christian denominations in relation to three themes: sex outside of marriage, celibacy and monogamy.

Identification of metastable states in peptide's dynamics

A recently developed spectral method for identifying metastable states in Markov chains is used to analyse the conformational dynamics of a four residue peptide Valine-Proline-Alanine-Leucine. We compare our results to empirically defined conformational states and show that the found metastable states correctly reproduce the conformational dynamics of the system.

Role of copper in reducing hospital environment contamination

The environment may act as a reservoir for pathogens that cause healthcare-associated infections (HCAIs). Approaches to reducing environmental microbial contamination in addition to cleaning are thus worthy of consideration. Copper is well recognised as having antimicrobial activity but this property has not been applied to the clinical setting. We explored its use in a novel cross-over study on an acute medical ward. A toilet seat, set of tap handles and a ward entrance door push plate each containing copper were sampled for the presence of micro-organisms and compared to equivalent standard, non-copper-containing items on the same ward. Items were sampled once weekly for 10 weeks at 07:00 and 17:00. After five weeks, the copper-containing and non-copper-containing items were interchanged. The total aerobic microbial counts per cm2 including the presence of ‘indicator micro-organisms’ were determined. Median numbers of microorganisms harboured by the copper-containing items were between 90% and 100% lower than their control equivalents at both 07:00 and 17:00. This reached statistical significance for each item with one exception. Based on the median total aerobic cfu counts from the study period, five out of ten control sample points and zero out of ten copper points failed proposed benchmark values of a total aerobic count of <5 cfu/cm2. All indicator micro-organisms were only isolated from control items with the exception of one item during one week. The use of copper-containing materials for surfaces in the hospital environment may therefore be a valuable adjunct for the prevention of HCAIs and requires further evaluation.

Introduction:understanding the transformation of the CDU

This article introduces the special issue on the transformation of German Christian Democracy and sets the context for organisational and policy change in the CDU. As a starting point, it identifies both contemporary challenges to the CDU, locating its discussion within the wider literature on European Christian Democracy, and considers the extent to which these apply to the German case. It then outlines the key dimensions of the contemporary CDU which are examined in this collection. © 2013 Association for the Study of German Politics.

El reencuentro de la música española con la Latinomérica poscolonial:el caso Joaquín Sabina

La música se convirtió en los años setenta en el medio para encauzar la oposición al régimen franquista y la incertidumbre ante la transición. Del ejemplo y la fascinación con la revolución cubana, a la oposición a las dictaduras chilena (1973), uruguaya (1974) y argentina (1976), todos ellos fueron hechos que en España se vivieron como propios. En esos años los cantautores españoles reivindicaban la libertad de expresión y el final de todas las dictaduras. Sin embargo, la música española comienza a transformar su mirada hacia Latinoamérica cuando la democracia es un hecho. Se representa ahora un nuevo espacio latinoamericano que me propongo caracterizar en este artículo, y a través del caso concreto de Joaquín Sabina, como "post-colonial".The music in the seventies became the vehicle for channeling opposition to the regime and the uncertainty of the transition. From the example and the fascination with the Cuban revolution, opposition to the dictatorships in Chile (1973), Uruguay (1974) and Argentina (1976), they were all events that were lived in Spain as their own. In those years the Spanish songwriters claiming freedom of expression and end of all dictatorships. However, the Spanish music begins to turn their attention to Latin America where democracy is a fact. It is now a new Latin American space I propose to characterize in this article, and through the specific case of Joaquin Sabina, as "post-colonial".J A brief survey of style to your work reflects his role as poet cult following in the wake of Herrera or Gongora, as did Antequerana School, aims to upgrade from his vivid descriptions, his Christian ideas and a lyrical formal mannerisms full of clichés.

Involvement of tissue transglutaminase in the stabilisation of biomaterial/tissue interfaces important in medical devices

Tissue transglutaminase (tTG) has recently been established as a novel cell surface adhesion protein that binds with high affinity to fibronectin in the pericellular matrix. In this study, we have made use of this property to enhance the biocompatibility of poly(epsilon-caprolactone) (PCL), a biomaterial currently used in bone repair. Poly(epsilon-caprolactone) discs were first coated with fibronectin and then tTG. The surface localisation of the two proteins was confirmed using ELISA and the tTG shown to be active on the surface by incorporation of biotin cadaverine into the fibronectin coating. When human osteoblasts (HOBs) were seeded onto the coated polymer surfaces in serum free medium, the surface coated with fibronectin and then tTG showed an increase in the spreading of the cells as compared to the surface coated with fibronectin alone, when analysed using environmental scanning electron microscopy. The presence of tTG had no effect on HOB cell differentiation when analysed by determining alkaline phosphatase activity. The use of tTG as a novel adhesion protein in this way may therefore have considerable potential in forming a stable tissue/biomaterial interface for application in medical devices.

Ist Religion schlecht für Frauen? Empirische Erkenntnisse zum Zusammenhang zwischen öffentlichen Religionen und den Menschenrechten der Frau

Religion is a dynamic concept. It can be a means of supporting masculinist power structures as well as a means for challenging established gender hierarchies. This article therefore suggests the proposition that it is not religion as such constituting a problem for the human rights of women but the privileging of patriarchal interpretations of religion and the marginalization of progressive interpretations in many contexts, respectively. From an empirical perspective, thus, the question of the concrete conditions contributing to the ability of conservative religious actors to enforce their patriarchal views in politics and society arises. This article consults existing empirical studies on predominantly Christian democracies and Muslim societies to find answers to this question. It discusses the impact that the institutional relations between the state and religion, the significance of religion in the political party system as well as the confessional composition and the strength of religiosity in a society have on the human rights of women. The article, moreover, deals with the effect of democracy and certain rights on the promotion of women's rights in religious contexts. It demonstrates the requirement of and provides suggestions for further empirical research in this area.