871 research outputs found

    Low Molecular Weight Fluorescent Probes (LMFPs) to Detect the Group 12 Metal Triad

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    Fluorescence sensing, of d-block elements such as Cu2+, Fe3+, Fe2+, Cd2+, Hg2+, and Zn2+ has significantly increased since the beginning of the 21st century. These particular metal ions play essential roles in biological, industrial, and environmental applications, therefore, there has been a drive to measure, detect, and remediate these metal ions. We have chosen to highlight the low molecular weight fluorescent probes (LMFPs) that undergo an optical response upon coordination with the group 12 triad (Zn2+, Cd2+, and Hg2+), as these metals have similar chemical characteristics but behave differently in the environment

    Particle fallout/activity sensor

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    A particle fallout/activity sensor measures relative amounts of dust or other particles which collect on a mirror in an area to be monitored. The sensor includes a sensor module and a data acquisition module, both of which can be operated independently of one another or in combination with one another. The sensor module includes a housing containing the mirror, an LED assembly for illuminating the mirror and an optical detector assembly for detecting light scattered off of the mirror by dust or other particles collected thereon. A microprocessor controls operation of the sensor module's components and displays results of a measurement on an LCD display mounted on the housing. A push button switch is also mounted on the housing which permits manual initiation of a measurement. The housing is constructed of light absorbing material, such as black delrin, which minimizes detection of light by the optical detector assembly other than that scattered by dust or particles on the mirror. The data acquisition module can be connected to the sensor module and includes its own microprocessor, a timekeeper and other digital circuitry for causing the sensor module to make a measurement periodically and send the measurement data to the data acquisition module for display and storage in memory for later retrieval and transfer to a separate computer. The time tagged measurement data can also be used to determine the relative level of activity in the monitored area since this level is directly related to the amount of dust or particle fallout in the area

    GAtor: A First Principles Genetic Algorithm for Molecular Crystal Structure Prediction

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    We present the implementation of GAtor, a massively parallel, first principles genetic algorithm (GA) for molecular crystal structure prediction. GAtor is written in Python and currently interfaces with the FHI-aims code to perform local optimizations and energy evaluations using dispersion-inclusive density functional theory (DFT). GAtor offers a variety of fitness evaluation, selection, crossover, and mutation schemes. Breeding operators designed specifically for molecular crystals provide a balance between exploration and exploitation. Evolutionary niching is implemented in GAtor by using machine learning to cluster the dynamically updated population by structural similarity and then employing a cluster-based fitness function. Evolutionary niching promotes uniform sampling of the potential energy surface by evolving several sub-populations, which helps overcome initial pool biases and selection biases (genetic drift). The various settings offered by GAtor increase the likelihood of locating numerous low-energy minima, including those located in disconnected, hard to reach regions of the potential energy landscape. The best structures generated are re-relaxed and re-ranked using a hierarchy of increasingly accurate DFT functionals and dispersion methods. GAtor is applied to a chemically diverse set of four past blind test targets, characterized by different types of intermolecular interactions. The experimentally observed structures and other low-energy structures are found for all four targets. In particular, for Target II, 5-cyano-3-hydroxythiophene, the top ranked putative crystal structure is a ZZ^\prime=2 structure with P1ˉ\bar{1} symmetry and a scaffold packing motif, which has not been reported previously

    Freshwater umbrella - the effects of nitrogen deposition & climate change on freshwaters in the UK

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    In upland areas of the UK located away from direct human disturbance through agriculture, industrial activities and urban pollution, atmospheric pollution poses one of the major threats to the chemical and biological quality of lakes and streams. One of the most important groups of pollutants is nitrogen (N) compounds, including oxidised forms of N called NOx, generated mainly by fossil fuel combustion especially in motor vehicles, and reduced forms of N (ammonia gas or dissolved ammonium compounds) generated mainly from agricultural activities and livestock. These nitrogen compounds may dissolve in rain or soilwater to form acids, or may be taken up as nutrients by plants and soil microbes in upland catchments, and then subsequently released in acid form associated with nitrate leaching at a later date. It is well established that nitrate leaching contributes to acidification of upland waters, with damage to aquatic ecosystems including plants, invertebrates and fish. However it has recently been suggested that nitrate leaching may also be associated with nutrient enrichment of upland waters that contain biological communities adapted to very low nutrient levels

    The association of homeobox gene expression with stem cell formation and morphogenesis in cultured Medicago truncatula

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    Somatic embryogenesis (SE) is induced in vitro in Medicago truncatula 2HA by auxin and cytokinin but rarely in wild type Jemalong. The putative WUSCHEL (MtWUS), CLAVATA3 (MtCLV3) and the WUSCHEL-related homeobox gene WOX5 (MtWOX5) were investigated in M. truncatula (Mt) and identified by the similarity to Arabidopsis WUS, CLV3 and WOX5 in amino acid sequence, phylogeny and in planta and in vitro expression patterns. MtWUS was induced throughout embryogenic cultures by cytokinin after 24–48 h and maximum expression occurred after 1 week, which coincides with the induction of totipotent stem cells. During this period there was no MtCLV3 expression to suppress MtWUS. MtWUS expression, as illustrated by promoter-GUS studies, subsequently localised to the embryo, and there was then the onset of MtCLV3 expression. This suggests that the expression of the putative MtCLV3 coincides with the WUS-CLAVATA feedback loop becoming operational. RNAi studies showed that MtWUS expression is essential for callus and somatic embryo production. Based on the presence of MtWUS promoter binding sites, MtWUS may be required for the induction of MtSERF1, postulated to have a key role in the signalling required for SE induced in 2HA. MtWOX5 expressed in auxin-induced root primordia and root meristems and appears to be involved in pluripotent stem cell induction. The evidence is discussed that the homeobox genes MtWUS and MtWOX5 are “hijacked” for stem cell induction, which is key to somatic embryo and de novo root induction. In relation to SE, a role for WUS in the signalling involved in induction is discussed

    Of shepherds, sheep and sheepdogs?: governing the adherent self through complementary and competing ‘pastorates’

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    Foucault’s concept of ‘pastoral power’ describes an important technique for constituting obedient subjects. Derived from his analysis of the Christian pastorate, he saw pastoral power as a prelude to contemporary technologies of governing ‘beyond the State’, where ‘experts’ shepherd self-governing subjects. However, the specific practices of modern pastorate have been little developed. This papers examines the relational practices of pastoral power associated with the government of medicine use within the English healthcare system. The study shows how multiple pastors align their complimentary and variegated practices to conduct behaviours, but also how pastors compete for legitimacy, and face resistance through the mobilisation of alternate discourses and the strategic exploitation of pastoral competition. The paper offers a dynamic view of the modern pastorate within the contemporary assemblages of power

    Art therapy, arts-based research and transitional stories of domestic violence and abuse

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    Visual imagery within qualitative research is an established method of gathering data that has parallels to the way in which images are used within art therapy. This paper explores how visual imagery was used to investigate women’s responses to domestic violence and abuse and examines how art therapy principles shaped the development and conducting of that research. Through the use of collage, participants created visual representations of their responses to experiences of domestic violence and abuse. The visual representations were, when combined with spoken words, created stories that reference the past, present and future. The stories created have been termed transitional stories of domestic violence. These stories show that the home has special significance for women as they transition away from domestic violence and plan for their future. The home becomes both a metaphorical and physical manifestation and container of hopes for a harmonious future that often incorporates the desire for the return to the idea of a complete family. This paper will present the findings of the arts-based research conducted, and consider the implications upon art therapy practice of those findings.N

    Specific inhibition of the endothelin A receptor with ZD4054: clinical and pre-clinical evidence

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    Activation of the endothelin A receptor (ETA) by endothelin-1 (ET-1) mediates events that regulate mitogenesis, apoptosis, angiogenesis and metastasis in tumours. Specific blockade of ETA may have anticancer effects, while retaining beneficial endothelin B receptor (ETB)-mediated effects such as apoptosis and clearance of ET-1. ZD4054 is an orally active, specific ETA antagonist in clinical development. In receptor-binding studies, ZD4054 specifically bound to ETA with high affinity; no binding was detected at ETB. In a randomised placebo-controlled trial in eight healthy volunteers, a single oral dose of ZD4054 reduced forearm vasoconstriction in response to brachial artery infusion of ET-1, thus providing clinical evidence of ETA blockade. ETB blockade was assessed in an ascending, single-dose, placebo-controlled trial in 28 volunteers. For all doses of ZD4054, mean plasma ET-1 concentrations measured at 4 and 24 h were within the placebo reference range (a rise in ET-1 would indicate ETB blockade) and there was no evidence of dose-related changes. These data confirm the specificity of ZD4054 for ETA, with no activity at ETB in a clinical or preclinical setting. As a result of this specificity, ZD4054 has the potential to block multiple ETA-induced pathological processes, while allowing beneficial ETB-mediated processes to continue, which may, in turn, lead to an effective cancer therapy
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