Water dimer diffusion on Pd{111} assisted by an H-bond donor-acceptor tunneling exchange

Based on the results of density functional theory calculations, a novel mechanism for the diffusion of water dimers on metal surfaces is proposed, which relies on the ability of H bonds to rearrange through quantum tunneling. The mechanism involves quasifree rotation of the dimer and exchange of H-bond donor and acceptor molecules. At appropriate temperatures, water dimers diffuse more rapidly than water monomers, thus providing a physical explanation for the experimentally measured high diffusivity of water dimers on Pd{111} [Mitsui et al., Science 297, 1850 (2002)]

Validation of the Chinese version of the Sense of Self (SOS) Scale

published_or_final_versionSpringer Open Choice, 28 May 201

Internal dynamics and membership of the NGC 3603 Young Cluster from microarcsecond astrometry

We have analyzed two epochs of HST/WFPC2 observations of the young Galactic starburst cluster in NGC 3603 with the aim to study its internal dynamics and stellar population. Relative proper motions measured over 10.15 yrs of more than 800 stars enable us to distinguish cluster members from field stars. The best-fitting isochrone yields Av=4.6-4.7 mag, a distance of 6.6-6.9 kpc, and an age of 1 Myr for NGC 3603 Young Cluster (NYC). We identify pre-main-sequence/main-sequence transition stars located in the short-lived radiative-convective gap, which in the NYC occurs in the mass range 3.5-3.8 Msun. We also identify a sparse population of stars with an age of 4 Myr, which appear to be the lower mass counterparts to previously discovered blue supergiants located in the giant HII region NGC 3603. For the first time, we are able to measure the internal velocity dispersion of a starburst cluster from 234 stars with I < 18.5 mag to {\sigma}_pm1D=141+/-27 {\mu}as/yr (4.5+/-0.8 km/s at a distance of 6.75 kpc). As stars with masses between 1.7 and 9 Msun all exhibit the same velocity dispersion, the cluster stars have not yet reached equipartition of kinetic energy (i.e., the cluster is not in virial equilibrium). The results highlight the power of combining high-precision astrometry and photometry, and emphasize the role of NYC as a benchmark object for testing stellar evolution models and dynamical models for young clusters and as a template for extragalactic starburst clusters.Comment: 5 pages, 2 figure

How do patients from South Asian backgrounds experience life on haemodialysis in the UK? : A multicentre qualitative study

© Author(s) (or their employer(s)) 2018. Re-use permitted under CC BY-NC. No commercial re-use. See rights and permissions. Published by BMJ.OBJECTIVES: End-stage kidney disease disproportionately affects people of South Asian origin. This study aimed to uncover the lived experiences of this group of patients on centre-based haemodialysis (HD), the most prevalent dialysis modality. DESIGN: The study utilised a qualitative focus group methodology. Seven focus groups were conducted across four NHS Trusts in the UK including three in Gujarati and two each in Punjabi and Urdu. This provided an inclusive opportunity for South Asian patients to contribute in their language of origin. A total of 24 patients participated. Focus groups were facilitated by bilingual project workers and data were forward translated and analysed using thematic analysis. RESULTS: Four themes were identified. This included (1) 'treatment imposition', which comprised of the restrictive nature of HD, the effects of treatment and the feeling of being trapped in an endless process. (2) The 'patient-clinician relationship' centred around the impact of a perceived lack of staff time, and inadequacies in the quality of interactions. (3) 'Coping strategies' highlighted the role of cognitive reappraisal, living in the moment and family support networks in facilitating adjustment. (4) 'Pursuit of transplantation' included equating this form of treatment with restoring normality, alongside cultural factors limiting hopefulness for receiving an organ. CONCLUSIONS: In general, the experiences of South Asian patients receiving HD were not unique to this ethnic group. We did find distinct issues in relation to interactions with healthcare professionals, views on access to transplantation and the importance of family support networks. The study provides useful insights which may help enhance culturally tailored renal care.Peer reviewe

A utilitarian antagonist: the zombie in popular video games

This article takes as its starting point the prevalence of the zombie in video games. I argue that, although the zombie games often superficially resemble filmic texts in their use of aesthetic and narrative, they must be understood, less as a set of conventions and thematic metaphors in the way that the zombie text has been read in film and television scholarship, and more as a utilisation of the zombie as a utilitarian antagonist that facilitates and permits the pleasures of violence and fantasy in video game play. Beginning with the Resident Evil and Left 4 Dead series of games I examine the way that games necessarily update the notion zombie as mass antagonist via the need to vary gameplay activity through different styles of adversary for players. At the same time I will demonstrate that, far from simply being the province of the survival horror genre, the zombie appears across an array of game forms, game cultures and game productions. The zombie highlights the participatory nature of game culture in the array of zombie 'mods' that users create to transform existing games into zombie based games, in particular in relation to titles such as the Call of Duty series. At the other end of the production spectrum the zombie features heavily in the little studied area of online flash games where the zombie can be found in a variety of game genres and forms. The zombie here often operates as a pastiche of popular zombie narratives in survival games (The Last Stand), parodic engagements with zombie conventions (Jetpacks and Zombies) or play with the notion of zombie pandemics (the Infectionator games). Here I situate the zombie game as a aesthetic genre that works to provide an easily understandable context for such interactive genres as survival horror, text adventures, shooting games, physics games and driving games, with the popularity of these enough to drive numerous dedicated hosting and link sites such as zombiegames.net. The pastiche element of these games extends into gamers social engagement with games. Online debates over the the appropriate actions or preparation for a zombie holocaust are commonplace on the internet in such spaces as Zombieresearch.net. Whilst many of these sites feature decidedly tongue in cheek engagement with the notion of the zombie apocalypse, the users of fora for games like Left 4 Dead and Dead Island tend to debate this directly in the terms of the games themselves, discussing their relative merits or realism. Some of these games also highlight the specific pleasures of identifying the zombie as protagonist of sorts. In discussing this I will return to online gaming and the Left 4 Dead games in which players may compete online as part of the zombie horde. Such games raise major questions for the issues of identification and immersion that are said to be at the centre of the game experience. I will also explore the parodic pleasures of many flash games that situate the player in the role of spreading zombie infections. Throughout this article I aim to demonstrate that the zombie in game culture is less a cultural metaphor than a combination of utilitarian antagonist and a persistent aesthetic; a means of providing style or pleasure to many games that relies on the intertextual and flexible nature of the zombie as popular cultural phenomenon

Role of the reversible electrochemical deprotonation of phosphate species in anaerobic biocorrosion of steels

Sulphate reducing bacteria are known to play a major role in anaerobic microbiological influenced corrosion of steels, but mechanisms behind their influence are still source of debates as certain phenomena remain unexplained. Some experiments have shown that hydrogen consumption by SRB or hydrogenase increased the corrosion rate of mild steel. This was observed only in the presence of phosphate species. Here the cathodic behaviour of phosphate species on steel was studied to elucidate the role of phosphate in anaerobic corrosion of steel. Results showed: a linear correlation between reduction waves in linear voltammetry and phosphate concentration at a constant pH value; that phosphate ions induced considerable anaerobic corrosion of mild steel, which was sensitive to hydrogen concentration in the solution; and that the corrosion potential of stainless steel in presence of phosphate was shifted to more negative values as molecular hydrogen was added to the atmosphere in the reaction vessel. Phosphate species, and possibly other weak acids present in biofilms, are suggested to play an important role in the anaerobic corrosion of steels via a reversible mechanism of electrochemical deprotonation that may be accelerated by hydrogen removal

Alterations of the mitochondrial proteome caused by the absence of mitochondrial DNA: A proteomic view

The proper functioning of mitochondria requires that both the mitochondrial and the nuclear genome are functional. To investigate the importance of the mitochondrial genome, which encodes only 13 subunits of the respiratory complexes, the mitochondrial rRNAs and a few tRNAs, we performed a comparative study on the 143B cell line and on its Rho-0 counterpart, i.e., devoid of mitochondrial DNA. Quantitative differences were found, of course in the respiratory complexes subunits, but also in the mitochondrial translation apparatus, mainly mitochondrial ribosomal proteins, and in the ion and protein import system, i.e., including membrane proteins. Various mitochondrial metabolic processes were also altered, especially electron transfer proteins and some dehydrogenases, but quite often on a few proteins for each pathway. This study also showed variations in some hypothetical or poorly characterized proteins, suggesting a mitochondrial localization for these proteins. Examples include a stomatin-like protein and a protein sharing homologies with bacterial proteins implicated in tyrosine catabolism. Proteins involved in apoptosis control are also found modulated in Rho-0 mitochondria.Comment: website publisher: http://www3.interscience.wiley.com

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

[[abstract]]The ground statepotential 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 surfacediffusion, involving a correlation between translation and orientation, are proposed and discussed.[[notice]]補正完畢[[journaltype]]國外[[booktype]]紙本[[countrycodes]]US

Epitaxial growth of few-layer MoS2(0001) on FeS2{100}.

Physical vapour deposition of Mo on an FeS2{100} surface was performed at 170 K. Near-epitaxial growth of MoS2(0001) overlayers of the order of 1 nm thickness was observed when the Mo-covered substrate was subsequently heated to 600 K.The authors thank the EPSRC (grant ref. EP/E039782/1) for funding.This is the final published version. It first appeared at http://pubs.rsc.org/en/Content/ArticleLanding/2015/CC/c4cc06628f#!divAbstract

Vertex elimination orderings for hereditary graph classes

We provide a general method to prove the existence and compute efficiently elimination orderings in graphs. Our method relies on several tools that were known before, but that were not put together so far: the algorithm LexBFS due to Rose, Tarjan and Lueker, one of its properties discovered by Berry and Bordat, and a local decomposition property of graphs discovered by Maffray, Trotignon and Vu\vskovi\'c. We use this method to prove the existence of elimination orderings in several classes of graphs, and to compute them in linear time. Some of the classes have already been studied, namely even-hole-free graphs, square-theta-free Berge graphs, universally signable graphs and wheel-free graphs. Some other classes are new. It turns out that all the classes that we study in this paper can be defined by excluding some of the so-called Truemper configurations. For several classes of graphs, we obtain directly bounds on the chromatic number, or fast algorithms for the maximum clique problem or the coloring problem