An understanding and implications of the coverage of surface free sites in heterogeneous catalysis

The crucial roles of the coverage of surface free sites in determining catalytic activity trend are quantitatively addressed with the help of density functional theory and microkinetics. First, by analyzing activity trends of NO oxidation catalyzed by Ru, Rh, Pd, Os, Ir, and Pt surfaces with full kinetic considerations, we identify that the activity trend is in general determined by the competition between the reaction barrier and the coverage of surface free sites. Second, since the dissociation of many important molecules, such as the dissociation of N(2), O(2), and CO, follows the same Bronsted-Evans-Polanyi relationship, the coverage of surface free sites is usually a decisive term that affects the overall activity. Third, an equation is derived for the coverage of surface free sites and it is found that the coverage of surface free sites contains not only all the key thermodynamic parameters but also all the kinetic properties in the catalytic system. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3140202]

A density functional theory study of CO oxidation on Ru(0001) at low coverage

We have performed ab initio density functional theory calculations with the generalized gradient approximation to investigate CO oxidation on Ru(0001). Several reaction pathways and transition states are identified. A much higher reaction barrier compared to that on Pt(111) is determined, confirming that the Ru is very inactive for CO oxidation under UHV conditions. The origin of the reaction barrier was analyzed. It is found that in the transition state the chemisorbed O atom sits in an unfavorable bonding site and a significant competition for bonding with the same substrate atoms occurs between the CO and the chemisorbed O, resulting in the high barrier. Ab initio molecular dynamics calculations show that the activation of the chemisorbed O atom from the initial hcp hollow site (the most stable site) to the bridge site is the crucial step for the reaction. The CO oxidation on Ru(0001) via the Eley-Rideal mechanism has also been investigated. A comparison with previous theoretical work has been made. (C) 2000 American Institute of Physics. [S0021-9606(00)31223-5].

Ab initio diffusional potential energy surface for CO chemisorption on Pd{110} at high coverage:Coupled translation and rotation

The ground state potential energy surface for CO chemisorption across Pd{110} has been calculated using density functional theory with gradient corrections at monolayer coverage. The most stable site corresponds well with the experimental adsorption heat, and it is found that the strength of binding to sites is in the following order: pseudo-short-bridge>atop>long-bridge>hollow. Pathways and transition states for CO surface diffusion, involving a correlation between translation and orientation, are proposed and discussed. (C) 1997 American Institute of Physics.

Is the multiracial congregation an answer to the problem of race? Comparative perspectives from South Africa and the USAF

This paper uses a comparative perspective to analyze how multiracial congregations may contribute to racial reconciliation in South Africa. Drawing on the large-scale study of multiracial congregations in the USA by Emerson et al., it examines how they help transform antagonistic identities and make religious contributions to wider reconciliation processes. It compares the American research to an ethnographic study of a congregation in Cape Town, identifying cross-national patterns and South African distinctives, such as discourses about restitution, AIDS, inequality and women. The extent that multiracial congregations can contribute to reconciliation in South Africa is linked to the content of their worship and discourses, but especially to their ability to dismantle racially aligned power structures. © Koninklijke Brill NV, 2008.

Tackling the problem of blood culture contamination in the intensive care unit using an educational intervention

Blood culture contamination (BCC) has been associated with unnecessary antibiotic use, additional laboratory tests and increased length of hospital stay thus incurring significant extra hospital costs. We set out to assess the impact of a staff educational intervention programme on decreasing intensive care unit (ICU) BCC rates to <3% (American Society for Microbiology standard). BCC rates during the pre-intervention period (January 2006-May 2011) were compared with the intervention period (June 2011-December 2012) using run chart and regression analysis. Monthly ICU BCC rates during the intervention period were reduced to a mean of 3·7%, compared to 9·5% during the baseline period (P < 0·001) with an estimated potential annual cost savings of about £250 100. The approach used was simple in design, flexible in delivery and efficient in outcomes, and may encourage its translation into clinical practice in different healthcare settings.

The role of low coverage sodium surface species on electrochemical promotion in a Pt/YSZ system

The effect of sodium-modification on the catalyst and electrocatalytic properties of a platinum catalyst supported on a YSZ solid electrolyte was studied. Increasing the sodium coverage on the catalyst surface appears to block some of the three-phase boundary (tpb) sites and reduces the rate of the charge transfer reaction. The promotion of the platinum surface reaction (ethylene oxidation) seems to a first approximation to be a function of the rate of oxygen supply or removal to or from the surface irrespective of whether this is contaminated by sodium or not (samples with sodium contamination require a higher overpotential to achieve the same current density as a clean sample because of poisoning in the tpb). At high negative polarisations (oxygen removed from the surface) the sodium contaminated samples show a significant increase in rate, possibly due to the decomposition of e.g. sodium hydroxides and carbonates. © 2012 Elsevier B.V.

"Should I prioritize medical problem solving or attentive listening?": the dilemmas and challenges that medical students experience when learning to conduct consultations

Objective: Communication skills can be trained alongside clinical reasoning, history taking or clinical examination skills. This is advocated as a solution to the low transfer of communication skills. Still, students have to integrate the knowledge/skills acquired during different curriculum parts in patient consultations at some point. How do medical students experience these integrated consultations within a simulated environment and in real practice when dealing with responsibility?

Methods: Six focus groups were conducted with (pre-)/clerkship students.

Results: Students were motivated to practice integrated consultations with simulated patients and felt like 'real physicians'. However, their focus on medical problem solving drew attention away from improving their communication skills. Responsibility for real patients triggered students' identity development. This identity formation guided the development of an own consultation style, a process that was hampered by conflicting demands of role models.

Conclusion: Practicing complete consultations results in the dilemma of prioritizing medical problem solving above attention for patient communication. Integrated consultation training advances this dilemma to the pre-clerkship period. During clerkships this dilemma is heightened because real patients trigger empathy and responsibility, which invites students to define their role as doctor.

Practice Implications: When training integrated consultations, educators should pay attention to students' learning priorities and support the development of students' professional identity.

‘The Problem of the Future in Nineteenth-Century Spain’

This article examines the problems and paradoxes in the representation of the future in three nineteenth-century Spanish works: El futuro Madrid (1868) by Fernández de los Ríos, ‘Madrid en el siglo xxi’ (1847) by Neira de Mosquera, and Ni en la vida ni en la muerte by Juan Bautista Amorós (Silverio Lanza). While these texts demonstrate Spain’s participation in the general movement towards using the future as a setting for literary works, they do not corroborate the theory that the nineteenth century was a time of optimism and belief in the doctrine of Progress. Concepts derived from discussions of the future in the history of ideas, such as historia magistra vitae, are shown to be relevant to discussion of these futuristic fictions, in sometimes unexpected ways.