A proof-of-concept Bitter-like HTS electromagnet fabricated from a silver-infiltrated (RE)BCO ceramic bulk

A novel concept for a compact high-field magnet coil is introduced. This is based on stacking slit annular discs cut from bulk rare-earth barium cuprate ((RE)BCO) ceramic in a Bitter-like architecture. Finite-element modelling shows that a small 20 turn stack (with a total coil volume of <20 cm3) is capable of generating a central bore magnetic field of >2 T at 77 K and >20 T at 30 K. Unlike resistive Bitter magnets, the high-temperature superconducting (HTS) Bitter stack exhibits significant non-linear field behaviour during current ramping, caused by current filling proceeding from the inner radius outwards in each HTS layer. Practical proof-of-concept for this architecture was then demonstrated through fabricating an uninsulated four-turn prototype coil stack and operating this at 77 K. A maximum central field of 0.382 T was measured at 1.2 kA, with an accompanying 6.1 W of internal heat dissipation within the coil. Strong magnetic hysteresis behaviour was observed within the prototype coil, with ≈30% of the maximum central field still remaining trapped 45 min after the current had been removed. The coil was thermally stable during a 15 min hold at 1 kA, and survived thermal cycling to room temperature without noticeable deterioration in performance. A final test-to-destruction of the coil showed that the limiting weak point in the stack was growth-sector boundaries present in the original (RE)BCO bulk

Characterisation of the mechanical failure and fracture mechanisms of single grain Y–Ba–Cu–O bulk superconductors

Abstract: The widespread use of melt processed, single grain (RE)–Ba–Cu–O bulk superconductors [(RE)BCO], where RE = Y, Gd or Sm, is limited predominantly by the poor mechanical properties of these inherently brittle, ceramic-like materials. The high density of flaws, such as cracks and voids, within the single grain microstructure leads directly to a low fracture toughness. As a result, the Lorentz forces, generated when these materials carry current in the presence of a large magnetic field, create stresses sufficiently large to cause brittle failure. The addition of Ba–Cu–O (liquid phase) and Ag to the precursor composition prior to melt-growth has been demonstrated to be effective in improving the mechanical properties of these technologically important materials. In this work, we characterise the mechanical failure of single grain YBCO bulk superconductors in terms of a Weibull statistical distribution. In addition, differences in fracture mechanisms have been studied to provide a better understanding of how the provision of additional liquid phase and silver produces YBCO single grains with better resulting mechanical properties and how these can be improved further

Structure-Based Discovery of A2A Adenosine Receptor Ligands

The recent determination of X-ray structures of pharmacologically relevant GPCRs has made these targets accessible to structure-based ligand discovery. Here we explore whether novel chemotypes may be discovered for the A(2A) adenosine receptor, based on complementarity to its recently determined structure. The A(2A) adenosine receptor signals in the periphery and the CNS, with agonists explored as anti-inflammatory drugs and antagonists explored for neurodegenerative diseases. We used molecular docking to screen a 1.4 million compound database against the X-ray structure computationally and tested 20 high-ranking, previously unknown molecules experimentally. Of these 35% showed substantial activity with affinities between 200 nM and 9 microM. For the most potent of these new inhibitors, over 50-fold specificity was observed for the A(2A) versus the related A(1) and A(3) subtypes. These high hit rates and affinities at least partly reflect the bias of commercial libraries toward GPCR-like chemotypes, an issue that we attempt to investigate quantitatively. Despite this bias, many of the most potent new ligands were novel, dissimilar from known ligands, providing new lead structures for modulation of this medically important target

Improved trapped field performance of single grain Y‐Ba‐Cu‐O bulk superconductors containing artificial holes

Abstract: The intrinsic mechanical properties of single‐grain RE‐Ba‐Cu‐O bulk high‐temperature superconductors can be improved by employing a thin‐wall geometry. This is where the samples are melt‐processed with a predefined network of artificial holes to decrease the effective wall thickness. In this study, the tensile strengths of thin‐wall YBCO disks were determined using the Brazilian test at room temperature. Compared with conventional single grain YBCO disks, the thin‐wall YBCO disks displayed an average tensile strength that is 93% higher when the holes were filled with Stycast epoxy resin. This implies a thin‐wall sample should, in theory, be able to sustain a trapped field that is 39% higher without exceeding the mechanical limit of the sample. High‐field magnetization experiments were performed by applying magnetization fields of up to 11.5 T, specifically to break the samples in order to verify the effect of increased mechanical strength (and improved cooling) on the ability of bulk (RE)BCO to trap field successfully. The standard YBCO sample failed when it was magnetized with a field of 10 T at 35 K, suffering permanent damage. As a result, the standard sample could only trap a maximum surface field of 7.6 T without failure. On the other hand, the thin‐wall YBCO sample survived all magnetization cycles, including a maximum magnetization field of 11.5 T at 35 K, demonstrating a greater intrinsic ability to withstand significantly higher electromagnetic stresses. By subsequently field‐cooling the thin‐wall sample with 11 T at 30 K, a surface field of 8.8 T was trapped successfully without requiring any external ring reinforcement

Optimisation of pH of cadmium chloride post-growth-treatment in processing CDS/CDTE based thin film solar cells

The role of Chlorine-based activation in the production of high quality CdS/CdTe photovoltaic have been well discussed and explored with an overlook of the effect of Cadmium chloride (CdCl2) post-growth treatment acidity on the property of the fabricated devices. This work focuses on the optimisation of CdCl2 post-growth treatment pH as it affects both the material and fabricated device properties of all-electrodeposited multilayer glass/FTO/n-CdS/n-CdTe/p-CdTe configuration. CdCl2 treatments with acidity ranging from pH1 to pH4 were explored. The properties of the ensued CdTe layer were explored using optical, morphological, compositional structural and electrical property analysis, while, the effect on fabricated multilayer glass/FTO/n-CdS/n-CdTe/p-CdTe configuration were also explored using both I-V and C-V measurements. Highest improvements in the optical, morphological, compositional and structural were observed at pH2 CdCl2 post-growth treatment with an improvement in absorption edge, grain size, crystallinity and crystallite size. Conductivity type conversions from n-CdTe to p-CdTe, increase in pin-hole density and collapse of the absorption edge were observed after pH1 CdCl2 treatment. The highest fabricated solar cell efficiency of 13% was achieved using pH2 CdCl2 treatment as compared to other pH values explored

The nature of singlet exciton fission in carotenoid aggregates.

Singlet exciton fission allows the fast and efficient generation of two spin triplet states from one photoexcited singlet. It has the potential to improve organic photovoltaics, enabling efficient coupling to the blue to ultraviolet region of the solar spectrum to capture the energy generally lost as waste heat. However, many questions remain about the underlying fission mechanism. The relation between intermolecular geometry and singlet fission rate and yield is poorly understood and remains one of the most significant barriers to the design of new singlet fission sensitizers. Here we explore the structure-property relationship and examine the mechanism of singlet fission in aggregates of astaxanthin, a small polyene. We isolate five distinct supramolecular structures of astaxanthin generated through self-assembly in solution. Each is capable of undergoing intermolecular singlet fission, with rates of triplet generation and annihilation that can be correlated with intermolecular coupling strength. In contrast with the conventional model of singlet fission in linear molecules, we demonstrate that no intermediate states are involved in the triplet formation: instead, singlet fission occurs directly from the initial 1B(u) photoexcited state on ultrafast time scales. This result demands a re-evaluation of current theories of polyene photophysics and highlights the robustness of carotenoid singlet fission.This work was supported by the EPSRC (UK) (EP/G060738/ 1), the European Community (LASERLAB-EUROPE, grant agreement no. 284464, EC’s Seventh Framework Programme; and Marie-Curie ITN-SUPERIOR, PITN-GA-2009-238177), and the Winton Programme for the Physics of Sustainability. G.C. acknowledges support by the European Research Council Advanced Grant STRATUS (ERC-2011-AdG No. 291198). J.C. acknowledges support by the Royal Society Dorothy Hodgkin Fellowship and The University of Sheffield’s Vice- Chancellor’s Fellowship scheme.This is the final published version. It was first made available by ACS at http://pubs.acs.org/doi/abs/10.1021/jacs.5b01130

Comparative Analysis of the Heptahelical Transmembrane Bundles of G Protein-Coupled Receptors

Background: G protein-coupled receptors represent a large family of eukaryotic membrane proteins, and are involved in almost all physiological processes in humans. Recent advances in the crystallographic study of these receptors enable a detailed comparative analysis of the commonly shared heptahelical transmembrane bundle. Systematic comparison of the bundles from a variety of receptors is indispensable for understanding not only of the structural diversification optimized for the binding of respective ligands but also of the structural conservation required for the common mechanism of activation accompanying the interaction changes among the seven helices. Methodology/Principal Findings: We have examined the bundles of 94 polypeptide chains from almost all available structures of 11 receptors, which we classified into either inactivated chain or activated chain, based on the type of bound ligand. For the inactivated chains, superposition of 200 residue bundles by secondary structure matching demonstrated that the bound ligands share a laterally limited cavity in the extracellular section of the bundle. Furthermore, a distinct feature was found for helix III of bovine rhodopsin, which might have evolved to lower its activity in the presence of 11-cis-retinal, to a level that other receptors could hardly achieve with any currently available ligands. Conclusions/Significance: Systematic analysis described here would be valuable for understanding of the rearrangement o

Small molecule binding sites on the Ras:SOS complex can be exploited for inhibition of Ras activation.

Constitutively active mutant KRas displays a reduced rate of GTP hydrolysis via both intrinsic and GTPase-activating protein-catalyzed mechanisms, resulting in the perpetual activation of Ras pathways. We describe a fragment screening campaign using X-ray crystallography that led to the discovery of three fragment binding sites on the Ras:SOS complex. The identification of tool compounds binding at each of these sites allowed exploration of two new approaches to Ras pathway inhibition by stabilizing or covalently modifying the Ras:SOS complex to prevent the reloading of Ras with GTP. Initially, we identified ligands that bound reversibly to the Ras:SOS complex in two distinct sites, but these compounds were not sufficiently potent inhibitors to validate our stabilization hypothesis. We conclude by demonstrating that covalent modification of Cys118 on Ras leads to a novel mechanism of inhibition of the SOS-mediated interaction between Ras and Raf and is effective at inhibiting the exchange of labeled GDP in both mutant (G12C and G12V) and wild type Ras