Stability and Electronic Properties of TiO2 Nanostructures With and Without B and N Doping

We address one of the main challenges to TiO2-photocatalysis, namely band gap narrowing, by combining nanostructural changes with doping. With this aim we compare TiO2's electronic properties for small 0D clusters, 1D nanorods and nanotubes, 2D layers, and 3D surface and bulk phases using different approximations within density functional theory and GW calculations. In particular, we propose very small (R < 0.5 nm) but surprisingly stable nanotubes with promising properties. The nanotubes are initially formed from TiO2 layers with the PtO2 structure, with the smallest (2,2) nanotube relaxing to a rutile nanorod structure. We find that quantum confinement effects - as expected - generally lead to a widening of the energy gap. However, substitutional doping with boron or nitrogen is found to give rise to (meta-)stable structures and the introduction of dopant and mid-gap states which effectively reduce the band gap. Boron is seen to always give rise to n-type doping while depending on the local bonding geometry, nitrogen may give rise to n-type or p-type doping. For under coordinated TiO2 surface structures found in clusters, nanorods, nanotubes, layers and surfaces nitrogen gives rise to acceptor states while for larger clusters and bulk structures donor states are introduced

Evaluation of the current knowledge limitations in breast cancer research: a gap analysis

BACKGROUND A gap analysis was conducted to determine which areas of breast cancer research, if targeted by researchers and funding bodies, could produce the greatest impact on patients. METHODS Fifty-six Breast Cancer Campaign grant holders and prominent UK breast cancer researchers participated in a gap analysis of current breast cancer research. Before, during and following the meeting, groups in seven key research areas participated in cycles of presentation, literature review and discussion. Summary papers were prepared by each group and collated into this position paper highlighting the research gaps, with recommendations for action. RESULTS Gaps were identified in all seven themes. General barriers to progress were lack of financial and practical resources, and poor collaboration between disciplines. Critical gaps in each theme included: (1) genetics (knowledge of genetic changes, their effects and interactions); (2) initiation of breast cancer (how developmental signalling pathways cause ductal elongation and branching at the cellular level and influence stem cell dynamics, and how their disruption initiates tumour formation); (3) progression of breast cancer (deciphering the intracellular and extracellular regulators of early progression, tumour growth, angiogenesis and metastasis); (4) therapies and targets (understanding who develops advanced disease); (5) disease markers (incorporating intelligent trial design into all studies to ensure new treatments are tested in patient groups stratified using biomarkers); (6) prevention (strategies to prevent oestrogen-receptor negative tumours and the long-term effects of chemoprevention for oestrogen-receptor positive tumours); (7) psychosocial aspects of cancer (the use of appropriate psychosocial interventions, and the personal impact of all stages of the disease among patients from a range of ethnic and demographic backgrounds). CONCLUSION Through recommendations to address these gaps with future research, the long-term benefits to patients will include: better estimation of risk in families with breast cancer and strategies to reduce risk; better prediction of drug response and patient prognosis; improved tailoring of treatments to patient subgroups and development of new therapeutic approaches; earlier initiation of treatment; more effective use of resources for screening populations; and an enhanced experience for people with or at risk of breast cancer and their families. The challenge to funding bodies and researchers in all disciplines is to focus on these gaps and to drive advances in knowledge into improvements in patient care

Evaluación de acolchados para el control de la flora arvense en un cultivo de tomate: dos años de resultados

En el presente proyecto se estudian alternativas al uso de acolchado plástico con polietileno, el cual es un residuo de difícil gestión tanto en producción hortícola ecológica como en convencional. Durante los años 2006 y 2007 se han llevado a cabo diez ensayos de campo en tomate de industria regado por goteo en cinco distintos lugares de España. Se han ensayado diferentes materiales biodegradables: dos plásticos biodegradables (Mater-Bi y Biofilm), un plástico oxobiodegradable (Enviroplast), dos papeles (papel negro Mimcord y marrón Saikraft), un acolchado de paja de cebada y dos testigos (sin desherbar y con control manual de las malas hierbas). Todas las películas fueron colocadas con máquina acolchadora, y los papeles requirieron un ajuste especial para evitar roturas. En todas las localidades y en ambos años el control de la flora arvense fue bueno o muy bueno para todos los acolchados, menos para la paja. Respecto al rendimiento de tomate, éste fue muy similar para todos los acolchados en ambos años, aunque ligeramente inferior que para el polietileno. En algunas localidades fue difícil mantener la paja en el suelo debido a su dispersión con el viento, mientras que en otras se mantuvo durante todo el ciclo. A pesar del peor control de la flora arvense, la paja dio buenos rendimientos en algunas localidades. El plástico oxobiodegradable mostró un comportamiento muy irregular entre localidades en cuanto a su degradación y cabe destacar la ausencia de degradación de la parte enterrada en todos los casos. Los plásticos biodegradables se degradaron de forma correcta cuando el cultivo ya cubría parte del suelo. El papel Mimcord fue más elástico permitiendo una más fácil colocación en el suelo pero es sensiblemente más caro que el marrón. En 2007 el rendimiento fue ligeramente menor para el papel marrón en 2007, posiblemente debido a que se trató de un año más frío. Los diferentes materiales biodegradables y el papel negro han sido los tratamientos más productivos y que mejor han controlado la flora arvense. Se concluye que existen alternativas técnicamente viables para sustituir el acolchado con polietileno en el cultivo de tomate de industria. No obstante, el elevado coste de la mayoría de estos materiales es el principal factor limitante para su adopción.Publishe

Contribution to the understanding of tribological properties of graphite intercalation compounds with metal chloride

Intrinsic tribological properties of lamellar compounds are usually attributed to the presence of van der Waals gaps in their structure through which interlayer interactions are weak. The controlled variation of the distances and interactions between graphene layers by intercalation of electrophilic species in graphite is used in order to explore more deeply the friction reduction properties of low-dimensional compounds. Three graphite intercalation compounds with antimony pentachloride, iron trichloride and aluminium trichloride are studied. Their tribological properties are correlated to their structural parameters, and the interlayer interactions are deduced from ab initio bands structure calculations

Evaluación de acolchados para el control de la flora arvense en un cultivo de tomate

Publishe

Longitudinal Profile Monitor Using Smith-Purcell Radiation: Recent Results from the E-203 Collaboration

TUPC38 - Work supported by seed funding from the John Fell Fund, University of Oxford, Université Paris-Sud, program "Attractivité" and by the ANR under contract ANR-12-JS05-0003-01International audienceWe report on recent measurements made at FACET by the E-203 collaboration to test a longitudinal bunch profile monitor based on Coherent Smith-Purcell radiation. The capacity of this monitor to resolve sub-picosecond bunches will be shown as well as a comparison of profile reconstructed for different beam compression settings. We will also present recent electromagnetic simulations of the interactions between the beam and the grating as well as the expected resolution of such monitor. Comparison between Coherent Smith-Purcell radiation measurement and those made with other techniques will also be discussed. Finally future upgrades of the experiment and steps toward the construction of a single shot longitudinal profile monitor will be presented

LUNEX5 : A FEL PROJECT TOWARDS THE FIFTH GENERATION IN FRANCE

ISBN978-3-95450-117-5 - http://accelconf.web.cern.ch/AccelConf/FEL2011/papers/tupa09.pdfInternational audienc

Resonant Lifetime of Core-Excited Organic Adsorbates from First Principles

We investigate by first-principles simulations the resonant electron-transfer lifetime from the excited state of an organic adsorbate to a semiconductor surface, namely isonicotinic acid on rutile TiO$_2$(110). The molecule-substrate interaction is described using density functional theory, while the effect of a truly semi-infinite substrate is taken into account by Green's function techniques. Excitonic effects due to the presence of core-excited atoms in the molecule are shown to be instrumental to understand the electron-transfer times measured using the so-called core-hole-clock technique. In particular, for the isonicotinic acid on TiO$_2$(110), we find that the charge injection from the LUMO is quenched since this state lies within the substrate band gap. We compute the resonant charge-transfer times from LUMO+1 and LUMO+2, and systematically investigate the dependence of the elastic lifetimes of these states on the alignment among adsorbate and substrate states.Comment: 24 pages, 6 figures, to appear in Journal of Physical Chemistry

Alcohol and marijuana use while driving-an unexpected crash risk in Pakistani commercial drivers: a cross-sectional survey

Background:A significant proportion of road traffic crashes are attributable to alcohol and marijuana use while driving globally. Sale and use of both substances is illegal in Pakistan and is not considered a threat for road traffic injuries. However literature hints that this may not be the case. We did this study to assess usage of alcohol and marijuana in Pakistani commercial drivers.Methods:A sample of 857 commercial bus and truck drivers was interviewed in October 2008 at the largest commercial vehicle station in Rawalpindi and Islamabad, Pakistan. Time location cluster sampling was used to select the subjects and a structured questionnaire was used to assess the basic demographic profile, substance abuse habits of the drivers while on the road, and reasons for usage of illicit substances while driving were recorded. Self reported information was collected after obtaining informed consent. Chi square and fisher exact tests were used to assess differences between groups and logistic regression was used to identify significant associations between driver characteristics and alcohol and marijuana use.Results:Almost 10% of truck drivers use alcohol while driving on Pakistani roads. Marijuana use is almost 30% in some groups. Statistically different patterns of usage are seen between population subgroups based on age, ethnicity, education, and marital status. Regression analysis shows association of alcohol and marijuana use with road rage and error behaviours, and also with an increased risk of being involved in road crashes. The reported reasons for using alcohol or marijuana show a general lack of awareness of the hazardous nature of this practice among the commercial driver population.Conclusion:Alcohol and marijuana use is highly prevalent in Pakistani commercial drivers. The issue needs to be recognized by concerned authorities and methods such as random breath tests and sobriety check points need to be employed for proper law enforcement