Photochemically induced nuclear spin polarization in reaction centers of photosystem II observed by 13C-solid-state NMR reveals a strongly asymmetric electronic structure of the P680.+ primary donor chlorophyll

We report 13C magic angle spinning NMR observation of photochemically induced dynamic nuclear spin polarization (photo- CIDNP) in the reaction center (RC) of photosystem II (PS2). The light-enhanced NMR signals of the natural abundance 13C provide information on the electronic structure of the primary electron donor P680 (chlorophyll a molecules absorbing around 680 nm) and on the pz spin density pattern in its oxidized form, P680⨥. Most centerband signals can be attributed to a single chlorophyll a (Chl a) cofactor that has little interaction with other pigments. The chemical shift anisotropy of the most intense signals is characteristic for aromatic carbon atoms. The data reveal a pronounced asymmetry of the electronic spin density distribution within the P680⨥. PS2 shows only a single broad and intense emissive signal, which is assigned to both the C-10 and C-15 methine carbon atoms. The spin density appears shifted toward ring III. This shift is remarkable, because, for monomeric Chl a radical cations in solution, the region of highest spin density is around ring II. It leads to a first hypothesis as to how the planet can provide itself with the chemical potential to split water and generate an oxygen atmosphere using the Chl a macroaromatic cycle. A local electrostatic field close to ring III can polarize the electronic charge and associated spin density and increase the redox potential of P680 by stabilizing the highest occupied molecular orbital, without a major change of color. This field could be produced, e.g., by protonation of the keto group of ring V. Finally, the radical cation electronic structure in PS2 is different from that in the bacterial RC, which shows at least four emissive centerbands, indicating a symmetric spin density distribution over the entire bacteriochlorophyll macrocycle.

Is routine hospital episode data sufficient for identifying individuals with chronic kidney disease? : A comparison study with laboratory data

© The Author(s) 2014. Acknowledgements We thank the Information Services Division, Scotland, who provided the SMR01 data, and NHS Grampian, who provided the biochemistry data. We also thank the University of Aberdeen’s Data Management Team. Funding This work was supported by the Chief Scientists Office for Scotland (grant no. CZH/4/656).

The electron-furfural scattering dynamics for 63 energetically open electronic states

We report on integral-, momentum transfer-and differential cross sections for elastic and electronically inelastic electron collisions with furfural (C5H4O2). The calculations were performed with two different theoretical methodologies, the Schwinger multichannel method with pseudopotentials (SMCPP) and the independent atom method with screening corrected additivity rule (IAM-SCAR) that now incorporates a further interference (I) term. The SMCPP with N energetically open electronic states (N-open) at either the static-exchange (N-open ch-SE) or the static-exchange-plus-polarisation (N-open ch-SEP) approximation was employed to calculate the scattering amplitudes at impact energies lying between 5 eV and 50 eV, using a channel coupling scheme that ranges from the 1ch-SEP up to the 63ch-SE level of approximation depending on the energy considered. For elastic scattering, we found very good overall agreement at higher energies among our SMCPP cross sections, our IAM-SCAR+I cross sections and the experimental data for furan (a molecule that differs from furfural only by the substitution of a hydrogen atom in furan with an aldehyde functional group). This is a good indication that our elastic cross sections are converged with respect to the multichannel coupling effect for most of the investigated intermediate energies. However, although the present application represents the most sophisticated calculation performed with the SMCPP method thus far, the inelastic cross sections, even for the low lying energy states, are still not completely converged for intermediate and higher energies. We discuss possible reasons leading to this discrepancy and point out what further steps need to be undertaken in order to improve the agreement between the calculated and measured cross sections. (C) 2016 AIP Publishing LLC.

Integral elastic, electronic-state, ionization, and total cross sections for electron scattering with furfural

We report absolute experimental integral cross sections (ICSs) for electron impact excitation of bands of electronic-states in furfural, for incident electron energies in the range 20-250 eV. Wherever possible, those results are compared to corresponding excitation cross sections in the structurally similar species furan, as previously reported by da Costa et al. [Phys. Rev. A 85, 062706 (2012)] and Regeta and Allan [Phys. Rev. A 91, 012707 (2015)]. Generally, very good agreement is found. In addition, ICSs calculated with our independent atom model (IAM) with screening corrected additivity rule (SCAR) formalism, extended to account for interference (I) terms that arise due to the multi-centre nature of the scattering problem, are also reported. The sum of those ICSs gives the IAM-SCAR+I total cross section for electron-furfural scattering. Where possible, those calculated IAM-SCAR+I ICS results are compared against corresponding results from the present measurements with an acceptable level of accord being obtained. Similarly, but only for the band I and band II excited electronic states, we also present results from our Schwinger multichannel method with pseudopotentials calculations. Those results are found to be in good qualitative accord with the present experimental ICSs. Finally, with a view to assembling a complete cross section data base for furfural, some binary-encounter-Bethe-level total ionization cross sections for this collision system are presented. (C) 2016 AIP Publishing LLC.

Nesting In The Clouds: Evaluating And Predicting Sea Turtle Nesting Beach Parameters From Lidar Data

Humans' desire for knowledge regarding animal species and their interactions with the natural world have spurred centuries of studies. The relatively new development of remote sensing systems using satellite or aircraft-borne sensors has opened up a wide field of research, which unfortunately largely remains dependent on coarse-scale image spatial resolution, particularly for habitat modeling. For habitat-specialized species, such data may not be sufficient to successfully capture the nuances of their preferred areas. Of particular concern are those species for which topographic feature attributes are a main limiting factor for habitat use. Coarse spatial resolution data can smooth over details that may be essential for habitat characterization. Three studies focusing on sea turtle nesting beaches were completed to serve as an example of how topography can be a main deciding factor for certain species. Light Detection and Ranging (LiDAR) data were used to illustrate that fine spatial scale data can provide information not readily captured by either field work or coarser spatial scale sources. The variables extracted from the LiDAR data could successfully model nesting density for loggerhead (Caretta caretta), green (Chelonia mydas), and leatherback (Dermochelys coriacea) sea turtle species using morphological beach characteristics, highlight beach changes over time and their correlations with nesting success, and provide comparisons for nesting density models across large geographic areas. Comparisons between the LiDAR dataset and other digital elevation models (DEMs) confirmed that fine spatial scale data sources provide more similar habitat information than those with coarser spatial scales. Although these studies focused solely on sea turtles, the underlying principles are applicable for many other wildlife species whose range and behavior may be influenced by topographic features.

Identification of geostationary satellites using polarization data from unresolved images

In order to protect critical military and commercial space assets, the United States Space Surveillance Network must have the ability to positively identify and characterize all space objects. Unfortunately, positive identification and characterization of space objects is a manual and labor intensive process today since even large telescopes cannot provide resolved images of most space objects. Since resolved images of geosynchronous satellites are not technically feasible with current technology, another method of distinguishing space objects was explored that exploits the polarization signature from unresolved images. The objective of this study was to collect and analyze visible-spectrum polarization data from unresolved images of geosynchronous satellites taken over various solar phase angles. Different collection geometries were used to evaluate the polarization contribution of solar arrays, thermal control materials, antennas, and the satellite bus as the solar phase angle changed. Since materials on space objects age due to the space environment, it was postulated that their polarization signature may change enough to allow discrimination of identical satellites launched at different times. The instrumentation used in this experiment was a United States Air Force Academy (USAFA) Department of Physics system that consists of a 20-inch Ritchey-Chrétien telescope and a dual focal plane optical train fed with a polarizing beam splitter. A rigorous calibration of the system was performed that included corrections for pixel bias, dark current, and response. Additionally, the two channel polarimeter was calibrated by experimentally determining the Mueller matrix for the system and relating image intensity at the two cameras to Stokes parameters S0 and S1. After the system calibration, polarization data was collected during three nights on eight geosynchronous satellites built by various manufacturers and launched several years apart. Three pairs of the eight satellites were identical buses to determine if identical buses could be correctly differentiated. When Stokes parameters were plotted against time and solar phase angle, the data indicates that there were distinguishing features in S0 (total intensity) and S1 (linear polarization) that may lead to positive identification or classification of each satellite.

Using realist evaluation to assess primary healthcare teams’ responses to intimate partner violence in Spain

Objective: Few evaluations have assessed the factors triggering an adequate health care response to intimate partner violence. This article aimed to: 1) describe a realist evaluation carried out in Spain to ascertain why, how and under what circumstances primary health care teams respond to intimate partner violence, and 2) discuss the strengths and challenges of its application. Methods: We carried out a series of case studies in four steps. First, we developed an initial programme theory (PT1), based on interviews with managers. Second, we refined PT1 into PT2 by testing it in a primary healthcare team that was actively responding to violence. Third, we tested the refined PT2 by incorporating three other cases located in the same region. Qualitative and quantitative data were collected and thick descriptions were produced and analysed using a retroduction approach. Fourth, we analysed a total of 15 cases, and identified combinations of contextual factors and mechanisms that triggered an adequate response to violence by using qualitative comparative analysis. Results: There were several key mechanisms —the teams’ self-efficacy, perceived preparation, women-centred care—, and contextual factors —an enabling team environment and managerial style, the presence of motivated professionals, the use of the protocol and accumulated experience in primary health care—that should be considered to develop adequate primary health-care responses to violence. Conclusion: The full application of this realist evaluation was demanding, but also well suited to explore a complex intervention reflecting the situation in natural settings.

Open Season for Data Fishing on the Web: The Challenges of the US PRISM Programme for the EU. CEPS Policy Brief No. 293, 18 June 2013

The revelation of the top-secret US intelligence-led PRISM Programme has triggered wide-ranging debates across Europe. Press reports have shed new light on the electronic surveillance ‘fishing expeditions’ of the US National Security Agency and the FBI into the world’s largest electronic communications companies. This Policy Brief by a team of legal specialists and political scientists addresses the main controversies raised by the PRISM affair and the policy challenges that it poses for the EU. Two main arguments are presented: First, the leaks over the PRISM programme have undermined the trust that EU citizens have in their governments and the European institutions to safeguard and protect their privacy; and second, the PRISM affair raises questions regarding the capacity of EU institutions to draw lessons from the past and to protect the data of its citizens and residents in the context of transatlantic relations. The Policy Brief puts forward a set of policy recommendations for the EU to follow and implement a robust data protection strategy in response to the affair.

Data capturing: studio di fattibilità per l’acquisizione automatizzata delle informazioni lungo la catena produttiva

Il processo di Data Entry manuale non solo è oneroso dal punto di vista temporale ed economico, lo è ancor di più poiché rappresenta una fonte di errore: per questi motivi, l’acquisizione automatizzata delle informazioni lungo la catena produttiva è un obiettivo fortemente desiderato dal Gruppo per migliorare i propri business. Le tecnologie analizzate, ormai diffuse e standardizzate in ampia scala come barcode, etichette logistiche, terminali in radiofrequenza, possono apportare grandi benefici ai processi aziendali, ancor più integrandole su misura agli ERP aziendali, permettendo una registrazione rapida e corretta delle informazioni e la diffusione immediata delle stesse all’intera organizzazione. L’analisi dei processi e dei flussi hanno evidenziato le criticità e permesso di capire dove e quando intervenire con una progettazione che risultasse quanto più la best suite possibile. Il lancio dei fabbisogni, l’entrata, la mappatura e la movimentazione merci in Magazzino, lo stato di produzione, lo scarico componenti ed il carico di produzione in Confezionamento e Semilavorazione, l’istituzione di un magazzino di interscambio Dogana, un flusso di tracciabilità preciso e rapido, sono tutti eventi che modificheranno i processi aziendali, snellendoli e svincolando risorse che potranno essere reinvestite in operatività a valore aggiunto superiore. I risultati potenzialmente ottenibili, comprovati anche dalle esperienze esterne di fornitori e consulenza, hanno generato le condizioni necessarie ad un rapido studio e start dei lavori: il Gruppo è entusiasta ed impaziente di portare a termine quanto prima il progetto e di andare a regime con la nuova modalità operativa, snellita ed ottimizzata.

Émergence et développement de l’oncologie au Québec : collaboration, compétition et défis organisationnels, 1900-2005

Objectifs : le principal objectif de notre projet doctoral consiste à mettre en relief les transformations qui ont marqué le développement de l’oncologie et de la lutte contre le cancer au Québec au 20e siècle. Pour ce faire, nous nous sommes penchées sur trois niveaux d’analyse : 1) le niveau micro aborde l’organisation des services médicaux au sein d’une organisation hospitalière, soit l’Hôtel-Dieu de Québec. 2) Le niveau méso analyse une lutte professionnelle, soit la lutte entre les hématologues et les oncologues médicaux pour la reconnaissance de l’oncologie médicale. 3) Le niveau macro s’intéresse à l’organisation de la lutte contre le cancer à travers la province de Québec et aux différents modèles organisationnels créés. Principale hypothèse : l’émergence et la transformation de l’oncologie et de la lutte contre le cancer ont été influencées des rapports de collaboration et de compétition entre les acteurs impliqués en oncologie. En effet, il apparaît que ce champ se trouve en tension entre l’obligation de collaborer pour offrir des services de qualité aux patients et les dynamiques professionnelles et/ou organisationnelles. Cadre théorique : un cadre théorique a été développé pour chacun des niveaux d’analyse. Le niveau micro s’inspire des travaux de Frickel, Abbott et Strauss et s’intéresse plus particulièrement aux négociations entourant l’ordre social au sein d’un hôpital universitaire; le niveau méso emploie les travaux de Bourdieu et Abbott pour analyser la lutte entre deux spécialités médicales pour le contrôle des agents de chimiothérapie; et le niveau macro, de la sociologie des organisations et de la théorie néo-institutionnaliste pour mettre en relief l’émergence et la transformation de la lutte contre le cancer au Québec au 20e siècle. Méthodologie : l’approche de l’étude de cas a été adoptée et chaque niveau d’analyse constitue une étude de cas à part entière. Le corpus de données se compose de données archivistiques recueillies dans 10 centres d’archives canadiens, et de données d’entrevues. Une soixantaine d’entrevues avec des oncologues, des professionnels de la santé, des gestionnaires, des chercheurs et des fonctionnaires ont été réalisées. Conclusion : les différents niveaux d’analyse offrent différentes contributions qui leurs sont propres, mais l’ensemble de la thèse tend à mettre en relief la complexité du changement organisationnel à travers un perpétuel processus de définition et de redéfinition des frontières professionnelles et des organisations en raison du développement des connaissances scientifiques, des technologies, des expertises professionnelles et de l’environnement social, politique et économique.

Mesure de la performance dans les organisations de réadaptation en déficience physique

La présente thèse vise à évaluer le degré d’implantation et d’utilisation de systèmes de mesure de la performance (SMP) par les décideurs des organisations de réadaptation et à comprendre les facteurs contextuels ayant influencé leur implantation. Pour ce faire, une étude de cas multiples a été réalisée comprenant deux sources de données: des entrevues individuelles avec des cadres supérieurs des organisations de réadaptation du Québec et des documents organisationnels. Le cadre conceptuel Consolidated Framework for Implementation Research a été utilisé pour guider la collecte et l’analyse des données. Une analyse intra-cas ainsi qu’une analyse inter-cas ont été réalisées. Nos résultats montrent que le niveau de préparation organisationnelle à l’implantation d’un SMP était élevé et que les SMP ont été implantés avec succès et utilisés de plusieurs façons. Les organisations les ont utilisés de façon passive (comme outil d’information), de façon ciblée (pour tenter d’améliorer des domaines sous-performants) et de façon politique (comme outil de négociation auprès des autorités gouvernementales). Cette utilisation diversifiée des SMP est suscitée par l’interaction complexe de facteurs provenant du contexte interne propre à chaque organisation, des caractéristiques du SMP, du processus d’implantation appliqué et du contexte externe dans lequel évoluent ces organisations. Au niveau du contexte interne, l’engagement continu et le leadership de la haute direction ont été décisifs dans l’implantation du SMP de par leur influence sur l’identification du besoin d’un SMP, l’engagement des utilisateurs visés dans le projet, la priorité organisationnelle accordée au SMP ainsi que les ressources octroyées à son implantation, la qualité des communications et le climat d’apprentissage organisationnel. Toutefois, même si certains de ces facteurs, comme les ressources octroyées à l’implantation, la priorité organisationnelle du SMP et le climat d’apprentissage se sont révélés être des barrières à l’implantation, ultimement, ces barrières n’étaient pas suffisamment importantes pour entraver l’utilisation du SMP. Cette étude a également confirmé l’importance des caractéristiques du SMP, particulièrement la perception de qualité et d’utilité de l’information. Cependant, à elles seules, ces caractéristiques sont insuffisantes pour assurer le succès d’implantation. Cette analyse d’implantation a également révélé que, même si le processus d’implantation ne suit pas des étapes formelles, un plan de développement du SMP, la participation et l’engagement des décideurs ainsi que la désignation d’un responsable de projet ont tous facilité son implantation. Cependant, l’absence d’évaluation et de réflexion collective sur le processus d’implantation a limité le potentiel d’apprentissage organisationnel, un prérequis à l’amélioration de la performance. Quant au contexte externe, le soutien d’un organisme externe s’est avéré un facilitateur indispensable pour favoriser l’implantation de SMP par les organisations de réadaptation malgré l’absence de politiques et incitatifs gouvernementaux à cet effet. Cette étude contribue à accroître les connaissances sur les facteurs contextuels ainsi que sur leurs interactions dans l’utilisation d’innovations tels les SMP et confirme l’importance d’aborder l’analyse de l’implantation avec une perspective systémique.

Using linked data to evaluate medical and financial outcomes of motor vehicle crashes in Connecticut.

Federal Highway Administration, Washington, D.C.

Using linked data to evaluate severity and outcome of injury by type of object struck (first object struck only) for motor vehicle crashes in Connecticut.

Federal Highway Administration, Washington, D.C.

Evaluation of minimum drinking age laws using the National Electronic Injury Surveillance System. Final report.

Mode of access: Internet.