Host lattice dependence of the Bi3+ luminescence in orthoborates LnBO3 (with Ln = Sc,Y, La,Gd, or Lu)

The luminescence properties of several Bi³⁺-activated lanthanide borates (LnBO₃) are reported. For the calcite-structured borates (ScBO₃Bi³⁺ and the high-temperature modification of LuBO₃Bi³⁺), the Stokes shift is small. In the luminescence spectra vibrational structure is observed. For the compounds with YBO₃ structure (low-temperature modification of LuBO₃Bi³⁺ and YBO₃Bi³⁺) two luminescent centers are observed. Energy transfer occurs from one type of center to the other. Finally, for LaBO₃Bi³⁺ two centers are also observed. One is ascribed to isolated Bi³⁺ ions and the other to Bi³⁺ pairs. The Stokes shift of the Bi³⁺ luminescence varies from 0.22 eV for ScBO₃Bi³⁺ to 1.16 eV for LaBO₃Bi³⁺. This is discussed in terms of the increasing amount of space available to the Bi³⁺ ion in the host lattice.     

Comparison of comprehensive two-dimensional gas chromatography and gas chromatography--mass spectrometry for the characterization of complex hydrocarbon mixtures

In this paper, we compare the current separation power of comprehensive two-dimensional gas chromatography (GCxGC) with the potential separation power of GC-mass spectrometry (GC-MS) systems. Using simulated data, we may envisage a GC-MS contour plot, that can be compared with a GCxGC chromatogram. Real examples are used to demonstrate the current potential of the two techniques in the field of hydrocarbon analysis. As a separation technique for complex hydrocarbon mixtures, GCxGC is currently about as powerful as GC-MS is potentially powerful. GC-MS has not reached its potential separation power in this area, because a universal, soft ionization method does not exist. The greatest advantage of GCxGC is, however, its potential for quantitative analysis. Because flame-ionisation detection can be used, quantitative analysis by GCxGC is much more robust, reliable and reproducible.     

Analysis of the effects of catalytic bleaching on cotton

Hydrogen peroxide can be catalyzed to bleach cotton fibers at temperatures as low as 30°C by incorporating dinuclear tri-μ-oxo bridged manganese(IV) complex of the ligand 1,4,7-trimethyl-1,4,7-triazacyclononane (MnTACN) as the catalyst in the bleaching solution. The catalytic system was found to be more selective under the conditions applied than the non-catalytic H₂O₂ system, showing better bleaching performance while causing slightly lower decrease in degree of polymerization (DP) of cellulose. In order to gain fundamental knowledge of the bleach effect on cotton fibers and cellulose as its main component, especially after catalytic bleaching, X-ray Photoelectron Spectroscopy (XPS) was used to study surface chemical effects. The Washburn method was applied to investigate wetting properties, and liquid porosity was used to obtain pore volume distribution (PVD) plots. Parallel analyzes performed on model cotton fabric, i.e. “clean” cotton fabric stained with morin - a pigment regularly found in native cotton fiber, helped to differentiate between pigment oxidation and other bleaching effects produced on the (regular) industrially scoured cotton fabric. Bleaching was not limited to the chemical action but also affected cotton fiber capillary parameters most likely due to the removal of non-cellulosic materials as well as chain-shortened cellulose.     

An analysis of managerialism and performance in English and Welsh male prisons

This paper fills a noticeable gap in the current economic and penology literature by proposing new performance-enhancing policies based on an efficiency analysis of a sample of male prisons in England and Wales over the period 2009/10. In addition, we advance the empirical literature by integrating the managerialism of four strategic functions of prisons, employment and accommodation, capacity utilization, quality of life in prison and the rehabilitation and re-offending of prisoners. We find that by estimating multiple models focussing on these different areas some prisons are more efficient than other establishments. In terms of policy, it is therefore necessary to consider not just an overall performance metric for individual prisons, as currently undertaken annually by the UK Ministry of Justice, but to look into the administration and managerialism of their main functions in both a business and public policy perspective. Indeed, it is further necessary to view prisons together and not as single entities, so as to obtain a best practice frontier for the different operations that management undertakes in English and Welsh prisons.     

Snooker: a structure-based pharmacophore generation tool applied to class A GPCRs

G-protein coupled receptors (GPCRs) are important drug targets for various diseases and of major interest to pharmaceutical companies. The function of individual members of this protein family can be modulated by the binding of small molecules at the extracellular side of the structurally conserved transmembrane (TM) domain. Here, we present Snooker, a structure-based approach to generate pharmacophore hypotheses for compounds binding to this extracellular side of the TM domain. Snooker does not require knowledge of ligands, is therefore suitable for apo-proteins, and can be applied to all receptors of the GPCR protein family. The method comprises the construction of a homology model of the TM domains and prioritization of residues on the probability of being ligand binding. Subsequently, protein properties are converted to ligand space, and pharmacophore features are generated at positions where protein ligand interactions are likely. Using this semiautomated knowledge-driven bioinformatics approach we have created pharmacophore hypotheses for 15 different GPCRs from several different subfamilies. For the beta-2-adrenergic receptor we show that ligand poses predicted by Snooker pharmacophore hypotheses reproduce literature supported binding modes for ～75% of compounds fulfilling pharmacophore constraints. All 15 pharmacophore hypotheses represent interactions with essential residues for ligand binding as observed in mutagenesis experiments and compound selections based on these hypotheses are shown to be target specific. For 8 out of 15 targets enrichment factors above 10-fold are observed in the top 0.5% ranked compounds in a virtual screen. Additionally, prospectively predicted ligand binding poses in the human dopamine D3 receptor based on Snooker pharmacophores were ranked among the best models in the community wide GPCR dock 2010.     

The Nonexistence of Ternary [38, 6, 23] Codes

It has been shown by Bogdanova and Boukliev [1] that there exist a ternary [38,5,24] code and a ternary [37,5,23] code. But it is unknown whether or not there exist a ternary [39,6,24] code and a ternary [38,6,23] code. The purpose of this paper is to prove that (1) there is no ternary [39,6,24] code and (2) there is no ternary [38,6,23] code using the nonexistence of ternary [39,6,24] codes. Since it is known (cf. Brouwer and Sloane [2] and Hamada and Watamori [14]) that (i) n₃(6,23) = 38> or 39 and d₃(38,6) = 22 or 23 and (ii) n₃(6,24) = 39 or 40 and d₃(39,6) = 23 or 24, this implies that n₃(6,23) = 39, d₃(38,6) = 22, n₃(6,24) = 40 and d₃(39,6) = 23, where n3<>(k,d) and d<>3(n,k) denote the smallest value of n and the largest value of d, respectively, for which there exists an [n,k,d] code over the Galois field GF(3).     

Identical Quantum Particles and Weak Discernibility

Saunders has recently claimed that “identical quantum particles” with an anti-symmetric state (fermions) are weakly discernible objects, just like irreflexively related ordinary objects in situations with perfect symmetry (Black’s spheres, for example). Weakly discernible objects have all their qualitative properties in common but nevertheless differ from each other by virtue of (a generalized version of) Leibniz’s principle, since they stand in relations an entity cannot have to itself. This notion of weak discernibility has been criticized as question begging, but we defend and accept it for classical cases likes Black’s spheres. We argue, however, that the quantum mechanical case is different. Here the application of the notion of weak discernibility indeed is question begging and in conflict with standard interpretational ideas. We conclude that the introduction of the conceptual resource of weak discernibility does not change the interpretational status quo in quantum mechanics.     

Extrinsic multiecho phase-contrast SSFP: evaluation on cardiac output measurements

Multiecho phase-contrast steady-state free precession (PC-SSFP) is a recently introduced sequence for flow quantification. In this multiecho approach, a phase reference and a velocity-encoded readout were acquired at different echo times after a single excitation. In this study, the sequence is validated in vitro for stationary flow. Subsequently, the sequence was evaluated on cardiac output measurements in vivo for through-plane flow in comparison to regular single gradient echo velocity quantification [phase-contrast spoiled gradient echo (PC-GE)]. In vitro results agreed with regular flow meters (RMS 0.1 cm/s). Cardiac output measurements with multiecho PC-SSFP on 10 healthy subjects gave on average the same results as the standard PC-GE. However, the limits of repeatability of PC-SSFP were significantly larger than those of PC-GE (2 l/min and 0.5 l/min, respectively, P=.001). The multiecho approach introduced some specific problems in vivo. The difference in echo times made the velocity maps sensitive for water-fat shifts and B(0)-drifts, which in turn made velocity offset correction problematic. Also, the addition of a single bipolar gradient cancelled the flow compensated nature of the SSFP sequence. In combination with the prolonged TR, this resulted in flow artifacts caused by high and pulsatile through-plane flow, affecting repeatability. Given the significantly lower repeatability of PC-SSFP, cardiac output in turn is less reliable, thus impairing the use of multiecho PC-SSFP.     

Decrease of magnetic AC loss in twisted-filament Bi-2223 tapes

In AC power-engineering applications, a large part of the AC loss in the superconductor is due to magnetization by the external field. This magnetic AC loss has been well described for the low-T_c conductors. In Bi-2223 tapes the picture is different due to strong anisotropy, granularity and flux creep. Magnetic AC loss in various twisted and non-twisted Bi-2223 tapes has been measured at power frequencies by a pickup method. The results are compared to theoretical models of magnetization loss. When the field is parallel to the tape plane, the filaments in twisted tapes can be decoupled and the AC loss is decreased even when the matrix is pure silver. The extra effect of higher-resistance matrix materials is studied. In perpendicular field it is more difficult to decouple the filaments, due to the particular tape geometry. Contrary to a wire, there are essential differences between the AC loss mechanisms in a long twisted tape and those in a short piece of non-twisted tape. Finally, the dynamic resistance caused by the AC magnetic field is examined.     

Arsenic speciation in chinese seaweeds using HPLC-ICP-MS and HPLC-ES-MS

Three common Chinese edible seaweeds, one brown (Laminaria japonica) and two red (Porphyra crispata and Eucheuma denticulatum), were examined for their total arsenic content. The As species were extracted with yields of 76.4, 69.8 and 25.0%, respectively. Anion-exchange and cation-exchange high-performance liquid chromatography (HPLC) in combination with inductively coupled plasma mass spectrometry (ICP-MS) were used for the separation of the different arsenic species in two of the three seaweed extracts (Laminaria and Porphyra). The main arsenic species in the algal extracts are arseno sugars, although it has been shown that the Laminaria seaweed contains significant amounts of dimethylarsinic acid (DMA). HPLC was coupled with electrospray mass spectrometry (ES-MS) for structural confirmation of the arsenic species. The mass spectrometer settings for the arseno sugars were optimised using standards. The conclusions drawn on the basis of HPLC-ICP-MS were confirmed by the HPLC-ES-MS data. The HPLC-ES-MS method is capable of determining both arseno sugars and DMA in the seaweeds. The unknown compounds seen in the HPLC-ICP-MS chromatogram of Laminaria could not be ascribed to trimethylarsenic oxide or tetramethylarsonium ion.