June Sutor and the C-H…O hydrogen bonding controversy

In 1962, D. June Sutor published the first crystallographic analysis of C–H…O hydrogen bonding based on a selection of structures then known. Her follow-up paper the next year cited more structures and provided more details, but her ideas met with formidable opposition. This review begins by describing knowledge of C-H…O hydrogen bonding available at the time from physico-chemical and spectroscopic studies. By comparison of structures cited by Sutor with modern redeterminations, the soundness of her basic data set is assessed. The plausibility of the counter-arguments against her is evaluated. Finally, her biographical details are presented along with consideration of factors that might have impeded the acceptance of her work. © 2012 Taylor & Francis.

Histidine hydrogen bonding in MHC at pH 5 and pH 7 modeled by molecular docking and molecular dynamics simulations

Hydrogen bonds play important roles in maintaining the structure of proteins and in the formation of most biomolecular protein-ligand complexes. All amino acids can act as hydrogen bond donors and acceptors. Among amino acids, Histidine is unique, as it can exist in neutral or positively charged forms within the physiological pH range of 5.0 to 7.0. Histidine can thus interact with other aromatic residues as well as forming hydrogen bonds with polar and charged residues. The ability of His to exchange a proton lies at the heart of many important functional biomolecular interactions, including immunological ones. By using molecular docking and molecular dynamics simulation, we examine the influence of His protonation/deprotonation on peptide binding affinity to MHC class II proteins from locus HLA-DP. Peptide-MHC interaction underlies the adaptive cellular immune response, upon which the next generation of commercially-important vaccines will depend. Consistent with experiment, we find that peptides containing protonated His residues bind better to HLA-DP proteins than those with unprotonated His. Enhanced binding at pH 5.0 is due, in part, to additional hydrogen bonds formed between peptide His+ and DP proteins. In acidic endosomes, protein His79β is predominantly protonated. As a result, the peptide binding cleft narrows in the vicinity of His79β, which stabilizes the peptide - HLA-DP protein complex. © 2014 Bentham Science Publishers.

Implementing a knowledge management system within an NHS hospital:a case study exploring the roll-out of an Electronic Patient Record (EPR)

This research aims to contribute to understanding the implementation of knowledge management systems (KMS) in the field of health through a case study, leading to theory building and theory extension. We use the concept of the business process approach to knowledge management as a theoretical lens to analyse and explore how a large teaching hospital developed, executed and practically implemented a KMS. A qualitative study was conducted over a 2.5 year period with data collected from semi-structured interviews with eight members of the strategic management team, 12 clinical users and 20 patients in addition to non-participant observation of meetings and documents. The theoretical propositions strategy was used as the overarching approach for data analysis. Our case study provides evidence that true patient centred approaches to supporting care delivery with a KMS benefit from process thinking at both the planning and implementation stages, and an emphasis on the knowledge demands resulting from: the activities along the care pathways; where cross-overs in care occur; and knowledge sharing for the integration of care. The findings also suggest that despite the theoretical awareness of KMS implementation methodologies, the actual execution of such systems requires practice and learning. Flexible, fluid approaches through rehearsal are important and communications strategies should focus heavily on transparency incorporating both structured and unstructured communication methods.

In situ diagnostics and prognostics of wire bonding faults in IGBT modules for electric vehicle drives

This paper presents a diagnostic and prognostic condition monitoring method for insulated-gate bipolar transistor (IGBT) power modules for use primarily in electric vehicle applications. The wire-bond-related failure, one of the most commonly observed packaging failures, is investigated by analytical and experimental methods using the on-state voltage drop as a failure indicator. A sophisticated test bench is developed to generate and apply the required current/power pulses to the device under test. The proposed method is capable of detecting small changes in the failure indicators of the IGBTs and freewheeling diodes and its effectiveness is validated experimentally. The novelty of the work lies in the accurate online testing capacity for diagnostics and prognostics of the power module with a focus on the wire bonding faults, by injecting external currents into the power unit during the idle time. Test results show that the IGBT may sustain a loss of half the bond wires before the impending fault becomes catastrophic. The measurement circuitry can be embedded in the IGBT drive circuits and the measurements can be performed in situ when the electric vehicle stops in stop-and-go, red light traffic conditions, or during routine servicing.

Hur ett tvärfunktionellt samarbete kan motverka stuprörsstrukturer : Kommunikationens roll i det organisatoriska gränssnittet mellan olika avdelningar

Stovepipes, or also called silos, appear in many different organizations and sectors and contribute to problems when employees or managers tend to look more to their own, or the individual departments, objectives rather than to the organizations. The purpose of this study was to identify different communicative factors that promote stovepipes in order to further identify the most critical factor to disarm. A case study has been done at a selected company, with a stovepipe structure, in order to achieve the purpose of the study. The case study has included interviews and observations to identify different problem areas which then have been compared with three communicative factors identified in previous studies. The factor that had the most connections to the problem areas have been considered the most critical factor. The result of the study indicates that “A lack of understanding each other's work” is the most critical factor in stovepipe structures and that it can be prevented by following five recommendations: bring up positive collaboration continually, raise problems with each other instead of with others, identify different communication paths in and between the departments, implement a long-term model for preventing stovepipes and set up workshops between the involved departments. The conclusion of the study is that stovepipes create several undesirable effects in the organization but that the efforts to counter these problems do not have to be complicated. Following five small steps into a better collaboration and communication can be enough to be on your way to a better organizational structure.

”Få in världen i klassrummet” : En studie om skönlitteraturens roll i gymnasieskolans SVAundervisning

Uppsatsens övergripande syfte är att åskådliggöra hur några gymnasielärare behöriga i svenska som andraspråk respektive svenska betraktar skönlitteraturens roll i ämnet svenska som andraspråk (SVA) och hur det praktiska klassrumsarbetet med litteraturundervisning ser ut. I uppsatsen diskuteras även lärarnas syn på skönlitteraturen i SVA-ämnet i jämförelse med i svenskämnet i relation ämnes- och kursplanerna i Läroplan, examensmål och gymnasiegemensamma ämnen för gymnasieskola 2011. För att uppnå syftet och besvara frågeställningarna har jag genomfört en kvalitativ studie där fyra lärare intervjuats, samtliga verksamma på nationella program. Av resultaten framkommer att lärarna starkt betonar skönlitteraturens betydelse i SVA-undervisningen. De viktigaste motiven för skönlitteraturen som lyfts fram är språkutveckling, identitetsutveckling, främjande av empatisk och demokratisk förmåga samt som förmedlare av svenska referensramar. Vid valen av litterära texter beaktar lärarna styrdokumentens skrivningar samt språkliga faktorer. Två arbetssätt som framhålls är boksamtal och tematiskt arbete. Det litterära samtalet framhävs som positivt för lärandet liksom läsande i en större kontext inom ett gemensamt tema. Lärarna understryker att skillnaderna i styrdokumenten mellan svenskämnena är alltför stora vad avser skrivningar om skönlitteratur och de anser att SVA borde likna svenskämnet mera vad gäller det litterära ämnesinnehållet.

Begreppens roll vid inlärning av algebra : En litteraturstudie om den roll begrepp och begreppsförmåga spelar vid inlärning av algebra för elever i årskurs 4-6

Svenska elever har presterat dåligt i internationella undersökningar en längre tid när det gäller algebraområdet i matematik. Elevernas begreppsförståelse har pekats ut som en faktor som spelar in i de dåliga resultaten för svenska elever del. Syftet med denna studie har därför varit att ta reda på den roll som begrepp och begreppsförmåga spelar vid inlärning av algebra samt vilken begreppsförståelse elever i årskurs 4-6 har. Genom en systematisk litteraturstudie har frågeställningarna besvarats. Resultaten visar att brister i begreppsförståelse i algebra också leder till brister i kunskap i algebra. Undervisning med fokus på begrepp leder till bättre förståelse för begrepp samtidigt som det även leder till procedurell kunskap. Elever i årskurs 4-6 kan hantera variabler och använda dem i matematiska uttryck. Fördelar med en tidig introduktion av variabelbegreppet är att elever bygger en bättre förståelse för begreppet.

Begreppens roll vid inlärning av algebra : En litteraturstudie om den roll begrepp och begreppsförmåga spelar vid inlärning av algebra för elever i årskurs 4-6

Svenska elever har presterat dåligt i internationella undersökningar en längre tid när det gäller algebraområdet i matematik. Elevernas begreppsförståelse har pekats ut som en faktor som spelar in i de dåliga resultaten för svenska elever del. Syftet med denna studie har därför varit att ta reda på den roll som begrepp och begreppsförmåga spelar vid inlärning av algebra samt vilken begreppsförståelse elever i årskurs 4-6 har. Genom en systematisk litteraturstudie har frågeställningarna besvarats. Resultaten visar att brister i begreppsförståelse i algebra också leder till brister i kunskap i algebra. Undervisning med fokus på begrepp leder till bättre förståelse för begrepp samtidigt som det även leder till procedurell kunskap. Elever i årskurs 4-6 kan hantera variabler och använda dem i matematiska uttryck. Fördelar med en tidig introduktion av variabelbegreppet är att elever bygger en bättre förståelse för begreppet.

Large-scale Roll Out of Online Prospective Measurement of Mood Symptoms in Affective Disorders

Background and Aims: True Colours is an online prospective mood-monitoring system developed at the University of Oxford to assist local patients and clinicians with monitoring course of illness in bipolar disorder. We report our initial experiences of using True Colours for research purposes in the Bipolar Disorder Research Network (BDRN; www.bdrn.org), a large research network of individuals with mood disorders spread throughout the UK. Methods: After initial piloting to ensure the practicality/acceptability of using True Colours within BDRN, we invited all BDRN participants (n = 7000) to participate in weekly True Colours ratings via three postal invitations sent over an 8-month period. Results: Following the three postal invitations, 915 individuals have so far expressed an interest in joining True Colours, and, of these, 662 (72.3%) have registered. 32 of those who registered for True Colours (5%) have so far asked to leave the system. Positive feedback from participants has focused around the ease of use and convenience of True Colours and potential clinical utility of the graphical representation of weekly mood scores. Conclusions: We have demonstrated that large-scale prospective mood monitoring for research purposes using a contemporary online approach is feasible. Challenges have included: (i) variation in participants’ technological ability; (ii) management of requests for clinical advice based on mood scores within a research setting; and, (iii) resources required to provide access and on-going support for participants using True Colours. We continue to expand recruitment to True Colours within BDRN, and plan to trial email invitations in the next phase of recruitment.

Samhällskunskap och historia i svensk gymnasieskola: ämnenas roll och relation i diskurs och ämnesplaner

The adoption of new syllabuses in history and social science in the new Swedish curriculum raises questions on the relationship between the two subjects. Social Science and History as school subjects have previously been described as both competing and complementary. The competing aspect has mainly been descibed in terms of citizenship education and the complementary aspect has been described in terms of content, abilities, and temporality. This article discusses how history and social science relate to these four topics in didactic discourse and in the new syllabuses. In the didactic discource both subjects underline the importance of making subject matter useful in life outside school. However, the new syllabuses are very differently formulated in this sense. History is closely connected to citizenship education and describes content, abilities and temporality in such a context. Social Science on the other hand downtunes the traditional role as a subject important for citizenship. Instead, focus is aimed at disciplinary thinking and using knowledge to understand social science methods and theories. This development is seen as very problematic and challenging for a meaningful teaching of Social Science in upper secondary school. In response to this challenge, the author proposes interdisciplinary didactic development, especially in developing "dynamic concepts" within Social Science didactics.

Assessment of heavy metals' bonding with various sedimentary phases in Shefa-Rud river (Guilan Province)

In the present investigation, bulk and chemical partitioning of elements in the Shefa-Rud riverbed sediments are studied. Higher concentrations of elemental concentrations have been observed in estuarine zone when compared with riverine sediments (except for Al, Fe, Pb and Mn). Manganese is mobilized under anoxic conditions prevailing in the Caspian Sea. Lithogenous materials are greatly diluted in the estuarine zone by various pollutants present in the Caspian Sea. Organic metallic bonds are not significantly present in the area of study. Geological units of the area of study have resulted in the lower concentrations of elemental concentrations of riverbed sediments when compared with published values for mean crust and world sediments ones. Though, cluster analysis has clearly shown the importance of alumina-silicates in controlling the distribution of Fe and Mn in riverbed sediments but it could not depict controlling mechanism for other studied elements. Geochemical Index (Igeo) and Enrichment Factor (EF) values are indicative of a clean environment throughout the river course. These values are in a well agreement with results of chemical partitioning data. Quantification of EF values is not logically possible and therefore Igeo values can be used more effectively.

Influencia del pick and roll en el juego de ataque en baloncesto de alto nivel

El objetivo de este estudio fue caracterizar las acciones del pick and roll y su influencia en el juego en baloncesto de alto nivel. Se analizó la eficacia táctica y de marcador en función de distintos factores que inciden en las situaciones de juego mediante un diseño observacional nomotético, puntual y multidimensional en 18 equipos de la liga ACB de baloncesto. Un instrumento observacional ad hoc (VTP & R) fue validado por un panel de 20 expertos de alto nivel y se comprobó la fiabilidad en la observación por parte de los investigadores. El análisis de datos se realizó mediante el análisis secuencial de retardos, el análisis de coordenadas polares y los estadísticos descriptivos cuantitativos. Del total de acciones analizadas (n=3895), el 25,3% se corresponden a pick and roll (n=984). Solo el 36,3% de las acciones de pick and roll se han mostrado eficaces en el marcador, mientras que el 85,7% lo son tácticamente. La interpretación de los resultados muestra el interés en complementar el análisis del juego en baloncesto a través de los mixed methods. La posibilidad de determinar qué acciones se realizan en cada momento del partido y de qué manera se ejecutan, así como establecer patrones de respuesta táctica en función de los distintos factores que intervienen en el juego, justifica la utilidad de los resultados aquí obtenidos y se concluye el interés en incorporar las distintas técnicas analíticas de la metodología observacional a los procesos de análisis del baloncesto.