Computational design and selection of optimal organic photovoltaic materials

Conjugated organic polymers are key building blocks of low-cost photovoltaic materials. We have examined over 90 000 copolymers using computational predictions to solve the "inverse design" of molecular structures with optimum properties for highly efficient solar cells (specifically matching optical excitation energies and excited-state energies). Our approach, which uses a genetic algorithm to search the space of synthetically accessible copolymers of six or eight monomer units, yields hundreds of candidate copolymers with predicted efficiencies over 8% (the current experimental record), including many predicted to be over 10% efficient. We discuss trends in polymer sequences and found in the most frequent monomers and dimers in these highly efficient targets and derive design rules for the selection of appropriate donor and acceptor molecules. We show how additional computationally intensive filtering steps can be used, for example, to eliminate targets likely to have poor hole mobilities. Our method effectively targets optimum electronic structure and optical properties far more efficiently than time-consuming serial experiments or computational studies and can be applied to similar problems in other areas of materials science

First e-VLBI observations of GRS 1915+105

We present results from the first successful open call e-VLBI science run, observing the X-ray binary GRS 1915+105. e-VLBI science allows the rapid production of VLBI radio maps, within hours of an observation rather than weeks, facilitating a decision for follow-up observations. A total of 6 telescopes observing at 5 GHz across the European VLBI Network (EVN) were correlated in real time at the Joint Institute for VLBI in Europe (JIVE). Constant data rates of 128 Mbps were transferred from each telescope, giving 4 TB of raw sampled data over the 12 hours of the whole experiment. Throughout this, GRS 1915+105 was observed for a total of 5.5 hours, producing 2.8 GB of visibilities of correlated data. A weak flare occurred during our observations, and we detected a slightly resolved component of 2.7 x 1.2 milliarcsecond with a position angle of 140 (+/-2) degrees. The peak brightness was 10.2 mJy per beam, with a total integrated radio flux of 11.1 mJy.Comment: Accepted for publication in MNRAS 4 pages, 3 figure

Using an Escape Room toolbox approach to enhance pharmacology education

Background: Faculty are encouraged to use a variety of teaching/learning strategies to engage nursing students. While simulation and games are now common, there were no reports in the nursing literature using an “escape room” concept. Escape rooms use an entertainment approach as teams engage in critical thinking to solve puzzles and find clues to escape a room. In the classroom setting, this concept is modified to solve a mystery by finding various objects through a series of puzzles to locate clues. Some of these games involve finding numerical clues to open locks on a box, such as a toolbox. The purpose of this study was to describe the use of a toolbox gaming strategy based on an escape room concept to help students learn about cardiovascular medications in a pharmacology course. Methods: This pilot study employed a descriptive qualitative method to investigate an approach to pharmacology education. The sample consisted of first semester nursing students. Results: Student responses to criteria-based questions resulted in three themes: engaging, teamwork, and frustration, related to using a toolbox scenario strategy as a pathway to learning. Conclusions: This descriptive study yielded mixed results from the students who were frustrated by time constraints but engaged in the learning experience. Lessons are offered for future improvements

Measuring Coverage in MNCH:A Validation Study Linking Population Survey Derived Coverage to Maternal, Newborn, and Child Health Care Records in Rural China

Accurate data on coverage of key maternal, newborn, and child health (MNCH) interventions are crucial for monitoring progress toward the Millennium Development Goals 4 and 5. Coverage estimates are primarily obtained from routine population surveys through self-reporting, the validity of which is not well understood. We aimed to examine the validity of the coverage of selected MNCH interventions in Gongcheng County, China.We conducted a validation study by comparing women's self-reported coverage of MNCH interventions relating to antenatal and postnatal care, mode of delivery, and child vaccinations in a community survey with their paper- and electronic-based health care records, treating the health care records as the reference standard. Of 936 women recruited, 914 (97.6%) completed the survey. Results show that self-reported coverage of these interventions had moderate to high sensitivity (0.57 [95% confidence interval (CI): 0.50-0.63] to 0.99 [95% CI: 0.98-1.00]) and low to high specificity (0 to 0.83 [95% CI: 0.80-0.86]). Despite varying overall validity, with the area under the receiver operating characteristic curve (AUC) ranging between 0.49 [95% CI: 0.39-0.57] and 0.90 [95% CI: 0.88-0.92], bias in the coverage estimates at the population level was small to moderate, with the test to actual positive (TAP) ratio ranging between 0.8 and 1.5 for 24 of the 28 indicators examined. Our ability to accurately estimate validity was affected by several caveats associated with the reference standard. Caution should be exercised when generalizing the results to other settings.The overall validity of self-reported coverage was moderate across selected MNCH indicators. However, at the population level, self-reported coverage appears to have small to moderate degree of bias. Accuracy of the coverage was particularly high for indicators with high recorded coverage or low recorded coverage but high specificity. The study provides insights into the accuracy of self-reports based on a population survey in low- and middle-income countries. Similar studies applying an improved reference standard are warranted in the future

Action research in physical education: focusing beyond myself through cooperative learning

This paper reports on the pedagogical changes that I experienced as a teacher engaged in an action research project in which I designed and implemented an indirect, developmentally appropriate and child‐centred approach to my teaching. There have been repeated calls to expunge – or at least rationalise – the use of traditional, teacher‐led practice in physical education. Yet despite the advocacy of many leading academics there is little evidence that such a change of approach is occurring. In my role as teacher‐as‐researcher I sought to implement a new pedagogical approach, in the form of cooperative learning, and bring about a positive change in the form of enhanced pupil learning. Data collection included a reflective journal, post‐teaching reflective analysis, pupil questionnaires, student interviews, document analysis, and non‐participant observations. The research team analysed the data using inductive analysis and constant comparison. Six themes emerged from the data: teaching and learning, reflections on cooperation, performance, time, teacher change, and social interaction. The paper argues that cooperative learning allowed me to place social and academic learning goals on an even footing, which in turn placed a focus on pupils’ understanding and improvement of skills in athletics alongside their interpersonal development

Vegetation and floristics of a lowland tropical rainforest in northeast Australia

Background: Full floristic data, tree demography, and biomass estimates incorporating non-tree life forms are seldom collected and reported for forest plots in the tropics. Established research stations serve as important repositories of such biodiversity and ecological data. With a canopy crane setup within a tropical lowland rainforest estate, the 42-ha Daintree Rainforest Observatory (DRO) in Cape Tribulation, northern Australia is a research facility of international significance. We obtained an estimate of the vascular plant species richness for the site, by surveying all vascular plant species from various mature-phase, remnant and open vegetation patches within the site. We also integrate and report the demography and basal areas of trees ≥ 10 cm diameter at breast height (dbh) in a new 1- ha core plot, an extension to the pre-existing forest 1-ha plot under the canopy crane. In addition, we report for the canopy crane plot new demography and basal areas for smaller size shrubs and treelets subsampled from nine 20 m quadrats, and liana basal area and abundance from the whole plot. The DRO site has an estimated total vascular plant species richness of 441 species, of which 172 species (39%) are endemic to Australia, and 4 species are endemics to the Daintree region. The 2 x 1-ha plots contains a total of 262 vascular plant species of which 116 (1531 individuals) are tree species ≥ 10 cm dbh. We estimate a stem basal area of 34.9 m ha, of which small stems (tree saplings and shrubs <10cm dbh) and lianas collectively contribute c.4.2%. Comparing the stem density-diversity patterns of the DRO forest with other tropical rainforests globally, our meta-analysis shows that DRO forests has a comparatively high stem density and moderate species diversity, due to the influence of cyclones. These data will provide an important foundation for ecological and conservation studies in lowland tropical forest. New information: We present a floristic checklist, a life form breakdown, and demography data from two 1-ha rainforest plots from a lowland tropical rainforest study site. We also present a meta-analysis of stem densities and species diversity from comparable-sized plots across the tropics

Dynamics of Simple Balancing Models with State Dependent Switching Control

Time-delayed control in a balancing problem may be a nonsmooth function for a variety of reasons. In this paper we study a simple model of the control of an inverted pendulum by either a connected movable cart or an applied torque for which the control is turned off when the pendulum is located within certain regions of phase space. Without applying a small angle approximation for deviations about the vertical position, we see structurally stable periodic orbits which may be attracting or repelling. Due to the nonsmooth nature of the control, these periodic orbits are born in various discontinuity-induced bifurcations. Also we show that a coincidence of switching events can produce complicated periodic and aperiodic solutions.Comment: 36 pages, 12 figure

Using honey to heal diabetic foot ulcers

Diabetic ulcers seem to be arrested in the inflammatory/proliferative stage of the healing process, allowing infection and inflammation to preclude healing. Antibiotic-resistant bacteria have become a major cause of infections, including diabetic foot infections. It is proposed here that the modern developments of an ancient and traditional treatment for wounds, dressing them with honey, provide the solution to the problem of getting diabetic ulcers to move on from the arrested state of healing. Honeys selected to have a high level of antibacterial activity have been shown to be very effective against antibiotic-resistant strains of bacteria in laboratory and clinical studies. The potent anti-inflammatory action of honey is also likely to play an important part in overcoming the impediment to healing that inflammation causes in diabetic ulcers, as is the antioxidant activity of honey. The action of honey in promotion of tissue regeneration through stimulation of angiogenesis and the growth of fibroblasts and epithelial cells, and its insulin-mimetic effect, would also be of benefit in stimulating the healing of diabetic ulcers. The availability of honey-impregnated dressings which conveniently hold honey in place on ulcers has provided a means of rapidly debriding ulcers and removing the bacterial burden so that good healing rates can be achieved with neuropathic ulcers. With ischemic ulcers, where healing cannot occur because of lack of tissue viability, these honey dressings keep the ulcers clean and prevent infection occurring