6,705 research outputs found

    Non-equilibrium umbrella sampling applied to force spectroscopy of soft matter

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    Physical systems often respond on a timescale which is longer than that of the measurement. This is particularly true in soft matter where direct experimental measurement, for example in force spectroscopy, drives the soft system out of equilibrium and provides a non-equilibrium measure. Here we demonstrate experimentally for the first time that equilibrium physical quantities (such as the mean square displacement) can be obtained from non-equilibrium measurements via umbrella sampling. Our model experimental system is a bead fluctuating in a time-varying optical trap. We also show this for simulated force spectroscopy on a complex soft molecule--a piston-rotaxane

    Unclamped hand-assisted laparoscopic partial nephrectomy for predominantly endophytic renal tumors

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    PURPOSE: To describe our initial experience with unclamped laparoscopic hand-assisted partial nephrectomy for predominantly endophytic renal masses in the setting of relative contraindication to warm ischemia. MATERIALS AND METHODS: Unclamped laparoscopic hand-assisted partial nephrectomy was performed on eight consecutive patients from June 2009 to March 2010. All patients had predominantly endophytic renal masses with a preferential enhancing rim noted on the pre-operative computed tomography. The unclamped hand-assisted approach was utilized for no warm ischemia, minimal blood loss, and enhanced visualization of the tumor bed with improved operative exposure. RESULTS: Mean age of the participants was 55.8 years. All patients underwent unclamped hand-assisted partial nephrectomy (ie, zero ischemia). Mean estimated blood loss was 368.8 cc (range, 100 to 800 cc) and mean operation time was 236.9 minutes (range, 175 to 272 minutes). There were no intra-operative complications and no open conversions. There was one grade II (ileus with small pneumothorax) and one grade IV (pulmonary embolism) in the 90-day peri-operative period. There was one positive surgical margin, which was recognized intra-operatively. CONCLUSION: While our results are preliminary, we feel this technique provides superior visualization and adequate hemostasis while preserving oncologic efficacy and renal function in this patient population

    Re-evaluating the Cu K pre-edge XAS transition in complexes with covalent metal–ligand interactions

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    Three [Me2NN]Cu(h2 -L2) complexes (Me2NN ¼ HC[C(Me)NAr]2; L2 ¼ PhNO (2), ArF 2N2 (3), PhCH]CH2 (4); Ar ¼ 2,6-Me2-C6H3; ArF ¼ 3,5-(CF3)2-C6H3) have been studied by Cu K-edge X-ray absorption spectroscopy, as well as single- and multi-reference computational methods (DFT, TD-DFT, CASSCF, MRCI, and OVB). The study was extended to a range of both known and theoretical compounds bearing 2p-element donors as a means of deriving a consistent view of how the pre-edge transition energy responds in systems with significant ground state covalency. The ground state electronic structures of many of the compounds under investigation were found to be strongly influenced by correlation effects, resulting in ground state descriptions with majority contributions from a configuration comprised of a Cu(II) metal center anti-ferromagentically coupled to radical anion O2, PhNO, and ArF 2N2 ligands. In contrast, the styrene complex 4, which displays a Cu K pre-edge transition despite its formal d10 electron configuration, exhibits what can best be described as a Cu(I):(styrene)0 ground state with strong pbackbonding. The Cu K pre-edge features for these complexes increase in energy from 1 to 4, a trend that was tracked to the percent Cu(II)-character in the ground state. The unexpected shift to higher preedge transition energies with decreasing charge on copper (QCu) contributed to an assignment of the pre-edge features for these species as arising from metal-to-ligand charge transfer instead of the traditional Cu1s / Cu3d designation

    WHO DO THEY THINK THEY ARE? INVESTIGATING THE IMPACT OF COVID-19 ON CASUAL TEACHING STAFF

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    Casual academics teaching staff, such as tutors and laboratory demonstrators, play a vital role in our undergraduate teaching programs. Indeed, this casual academic workforce often forms the vast majority of the academic teaching staff at most universities, especially in the first-year units/courses. In particular, casual laboratory teaching staff possess several responsibilities such as, ensuring adherence to the health and safety policies, assessing student performance and output, developing undergraduate students' practical and transferable skills, mentoring and correcting misconceptions in theoretical understanding (Herrington & Nakhleh, 2003; Rodriques & Bond-Robinson, 2006). Literature suggests that there is a strong positive correlation between how students interact with their laboratory demonstrator and how these same students rank their interest in (and attitudes towards) their undergraduate science courses (Pentecost et al., 2012; Osbourne, Simon & Collins, 2003). What is unclear however: how do these casual academics perceive their own teaching roles and how does this influence both their own teaching practices and the learning environment experienced by the students? A recent study undertaken by Flaherty et al. (2017) showed the positive impact of psychological empowerment on both the self-efficacy of the teaching staff and its ability to create a more positive, student-centered teaching environment. Preliminary quantitative and qualitative data collected through questionnaires of laboratory teaching staff at Monash University and the University of Sydney have been collected investigating the perceptions of our casual teaching staff (George-Williams, 2019; Spreitzer, 1995; George-Williams, 2020), particularly towards their own teaching roles. The results of these studies will be discussed alongside potential future directions for this study. REFERENCES Flaherty, A., O'Dwyer, A., Mannix-McNamara, P. & Leahy, J. (2017). The influence of psychological empowerment on the enhancement of chemistry laboratory demonstrators' perceived teaching self-image and behaviours as graduate teaching assistants. Journal of Chemistry Education Research and Practice, 18, 710-736. George-Williams, S. R. (2019) Unpublished results, Monash University. George-Williams, S. R. (2020) Unpublished results, The University of Sydney. Herrington D. G. & Nakhleh M. B. (2003). What Defines Effective Chemistry Laboratory Instruction? Teaching Assistant and Student Perspectives. Journal of Chemical Education, 80(10), 1197-1205. Osborne, J., Simon, S., & Collins, S. (2003). Attitudes toward science: A review of the literature and its implications. International Journal of Science Education, 25(9), 1049-1079. Pentecost, T. C., Langdon, L. S., Asirvatham, M., Robus, H., & Parson, R. (2012). Graduate teaching assistant training that fosters student-centered instruction and professional development. Journal of College Science Teaching, 41(6), 68–75. Rodriques R. A. B. & Bond-Robinson J. (2006). Comparing Faculty and Student Perspectives of Graduate Teaching Assistants’ Teaching. Journal of Chemical Education, 83(2), 305-312. Spreitzer, G. M. (1995). Psychological Empowerment in the Workplace: Dimensions, Measurement, and Validation. The Academy of Management Journal, 38(5), 1442-1465

    Outcomes of Shoulder Arthroplasty Performed for Postinfectious Arthritis.

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    Background: The purpose of this study was to evaluate the functional outcomes, infection rate, and complications associated with shoulder arthroplasty for sequelae of prior septic arthritis. Methods: This is a retrospective cohort study of 17 patients who underwent shoulder arthroplasty for sequelae of septic arthritis. Patients were analyzed for patient-reported outcomes, complications, and reoperations. Results: The 17 patients in this cohort were an average age of 65.4 ± 12.2 years old, were 58.8% male, and had an average body mass index of 27.9 ± 4.1 kg/m Conclusions: Shoulder arthroplasty after septic arthritis had inconsistent functional outcomes and high complication rates but no reinfection

    Briefing: UK Ministry of Defence Force Protection Engineering Programme

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    The Defence Science and Technology Laboratory sponsored, QinetiQ-led Force Protection Engineering Research Programme has two main strands, applied and underpinning research. The underpinning strand is led by Blastech Ltd. One focus of this research is into the response of geomaterials to threat loading. The programme on locally won fill is split into four main characterisation strands: high-stress (GPa) static pressure–volume; medium-rate pressure–volume (split Hopkinson bar); high-rate (flyer plate) pressure–volume; and unifying modelling research at the University of Sheffield, which has focused on developing a high-quality dataset for locally won fill in low and medium strain rates. With the test apparatus at Sheffield well-controlled tests can be conducted at both high strain rate and pseudo-static rates up to stress levels of 1 GPa. The University of Cambridge has focused on using one-dimensional shock experiments to examine high-rate pressure–volume relationships. Both establishments are examining the effect of moisture content and starting density on emergent rate effects. Blastech Ltd has been undertaking carefully controlled fragment impact experiments, within the dataspace developed by the Universities of Sheffield and Cambridge. The data from experiments are unified by the QinetiQ-led modelling team, to predict material behaviour and to derive a scalable locally won fill model for use in any situation

    Geology and Stratigraphy of the Western Kentucky Coal Field

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    The Pennsylvanian rocks of the Western Kentucky Coal Field produce between 40 and 55 million tons of coal a year from as many as 45 coal seams; however, three seams produce more than 75 percent of the total. In addition, Pennsylvanian strata contain numerous oil and natural gas reservoirs, tar-sand reservoirs, and industrial minerals. Pennsylvanian sandstones are also some of the most important bedrock aquifers in the coal field. Because of the economic importance of the Pennsylvanian strata to the region and the Commonwealth as a whole, a better understanding of these rocks is needed. This description of the nomenclature of Pennsylvanian strata in the Western Kentucky Coal Field also provides information on their mineral resources and geology. New stratigraphic names, based on regional agreements among the state geological surveys of Kentucky, Illinois, and Indiana, are also presented
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