Inner-shell excitation spectroscopy of aniline, nitrobenzene, and nitroanilines

Abstract: Oscillator strengths for C Is, N Is, and 0 1s excitation spectra of aniline, nitrobenzene, and the isomeric nitroanilines have been derived from inner-shell electron energy loss spectroscopy recorded under low momentum transfer conditions (>2.5 keV impact energy and small scattering angle, 0 52'). Extended Hiickel Molecular Orbital (EHMO) calculations carried out within the equivalent core analogy are used to aid spectral interpretation. These spectra are used to investigate the sensitivity of core excitation spectroscopy to charge transfer interactions in aromatic molecules that have both electron-donating and electronwithdrawing substituents. Strong multielectron excitation features were not found, although these had been anticipated from photoemission studies. The C 1s + T* and N 1s (NH,) + n* spectral features of the nitroanilines are found to be strongly dependent on the substitution pattern (ortho, meta, or para). Key words: electronic structure, inner-shell excitation, nitroanilines, EHMO calculations. RCsumC : En se basant sur la spectroscopie de la perte d'energie des Clectrons des couches internes dans des conditions de faible transfert du moment (Cnergie d'impact >2,5 keV et faible angle de diffusion, 0 52O), on a dCrivC les forces d'oscillateur des C Is, N 1s et 0 1s pour les spectres d'excitation de l'aniline, du nitrobenzkne et des nitroanilines isomkres. Comme aide I'interprCtation spectrale, on a utilisC des calculs d'orbitales molCculaires de Hiickel ttendues (OMHE) effectuts ides conditions correspondantes i celle de l'analogie Cquivalente a celles des couches internes. On a utilisC ces spectres pour ttudier la sensibilitC de la spectroscopie d'excitation des couches intirieures aux interactions de transfert de charge dans des molCcules qui portent ? t la fois des substituants Clectrodonneurs et Clectroattracteurs. On n'a pas observk de caractkristiques de fortes excitations multiClectroniques, mdme si on les avait antioipCes sur la base des Ctudes de photoCmission. On a observC que les caractkristiques spectrales des transitions C Is + T* et N 1s (NH,) + T* des nitroanilines dtpendent fortement des positions (ortho, me'ta ou para) des substituants

Edit distance Kernelization of NP theorem proving for polynomial-time machine learning of proof heuristics

We outline a general strategy for the application of edit- distance based kernels to NP Theorem Proving in order to allow for polynomial-time machine learning of proof heuristics without the loss of sequential structural information associated with conventional feature- based machine learning. We provide a general short introduction to logic and proof considering a few important complexity results to set the scene and highlight the relevance of our findings

Reduced rates of primary joint replacement for osteoarthritis in Italian and Greek migrants to Australia: the Melbourne Collaborative Cohort Study

Introduction Racial and ethnic disparities in rates of total joint replacement have been described, but little work has been done in well-established migrant groups. The aim of this study was to compare the rates of primary joint replacement for osteoarthritis for Italian and Greek migrants to Australia and Australian-born individuals. Methods Eligible participants (n = 39,023) aged 27 to 75 years, born in Italy, Greece, Australia and the United Kingdom, were recruited for the Melbourne Collaborative Cohort Study between 1990 and 1994. Primary hip and knee replacement for osteoarthritis between 2001 and 2005 was determined by data linkage to the Australian Orthopaedic Association National Joint Replacement Registry. Results Participants born in Italy and Greece had a lower rate of primary joint replacement compared with those born in Australia (hazard ratio [HR] 0.32, 95% confidence interval [CI] 0.26 to 0.39, P < 0.001), independent of age, gender, body mass index, education level, and physical functioning. This lower rate was observed for joint replacements performed in private hospitals (HR 0.17, 95% CI 0.13 to 0.23), but not for joint replacements performed in public hospitals (HR 0.96, 95% CI 0.72 to 1.29). Conclusions People born in Italy and Greece had a lower rate of primary joint replacement for osteoarthritis in this cohort study compared with Australian-born people, which could not simply be explained by factors such as education level, physical functioning, and weight. Although differential access to health care found in the population may explain the different rates of joint replacement, it may be that social factors and preferences regarding treatment or different rates of progression to end-stage osteoarthritis in this population are important to ethnic disparity.Yuanyuan Wang, Julie A Simpson, Anita E Wluka, Donna M Urquhart, Dallas R English, Graham G Giles, Stephen Graves and Flavia M Cicuttin

The SCUBA-2 Ambitious Sky Survey: a catalogue of beam-sized sources in the Galactic longitude range 120° to 140°

The SCUBA-2 Ambitious Sky Survey (SASSy) is composed of shallow 850-µm imaging using the Sub-millimetre Common-User Bolometer Array 2 (SCUBA-2) on the James Clerk Maxwell Telescope. Here we describe the extraction of a catalogue of beam-sized sources from a roughly 120 deg2 region of the Galactic plane mapped uniformly (to an rms level of about 40 mJy), covering longitude 120° l b| IRAS Point Source Catalogue, to determine which sources discovered in this field might be new, and hence potentially cold regions at an early stage of star formation

Investigation into the cause of spontaneous emulsification of a free steel droplet : validation of the chemical exchange pathway

Small Fe-based droplets have been heated to a molten phase suspended within a slag medium to replicate a partial environment within the basic oxygen furnace (BOF). The confocal scanning laser microscope (CSLM) has been used as a heating platform to interrogate the effect of impurities and their transfer across the metal/slag interface, on the emulsification of the droplet into the slag medium. The samples were then examined through X-ray computer tomography (XCT) giving the mapping of emulsion dispersion in 3D space, calculating the changing of interfacial area between the two materials, and changes of material volume due to material transfer between metal and slag. Null experiments to rule out thermal gradients being the cause of emulsification have been conducted as well as replication of the previously reported study by Assis et al.[1] which has given insights into the mechanism of emulsification. Finally chemical analysis was conducted to discover the transfer of oxygen to be the cause of emulsification, leading to a new study of a system with undergoing oxygen equilibration

Velocity-space sensitivity of the time-of-flight neutron spectrometer at JET

The velocity-space sensitivities of fast-ion diagnostics are often described by so-called weight functions. Recently, we formulated weight functions showing the velocity-space sensitivity of the often dominant beam-target part of neutron energy spectra. These weight functions for neutron emission spectrometry (NES) are independent of the particular NES diagnostic. Here we apply these NES weight functions to the time-of-flight spectrometer TOFOR at JET. By taking the instrumental response function of TOFOR into account, we calculate time-of-flight NES weight functions that enable us to directly determine the velocity-space sensitivity of a given part of a measured time-of-flight spectrum from TOFOR

Relationship of edge localized mode burst times with divertor flux loop signal phase in JET

A phase relationship is identified between sequential edge localized modes (ELMs) occurrence times in a set of H-mode tokamak plasmas to the voltage measured in full flux azimuthal loops in the divertor region. We focus on plasmas in the Joint European Torus where a steady H-mode is sustained over several seconds, during which ELMs are observed in the Be II emission at the divertor. The ELMs analysed arise from intrinsic ELMing, in that there is no deliberate intent to control the ELMing process by external means. We use ELM timings derived from the Be II signal to perform direct time domain analysis of the full flux loop VLD2 and VLD3 signals, which provide a high cadence global measurement proportional to the voltage induced by changes in poloidal magnetic flux. Specifically, we examine how the time interval between pairs of successive ELMs is linked to the time-evolving phase of the full flux loop signals. Each ELM produces a clear early pulse in the full flux loop signals, whose peak time is used to condition our analysis. The arrival time of the following ELM, relative to this pulse, is found to fall into one of two categories: (i) prompt ELMs, which are directly paced by the initial response seen in the flux loop signals; and (ii) all other ELMs, which occur after the initial response of the full flux loop signals has decayed in amplitude. The times at which ELMs in category (ii) occur, relative to the first ELM of the pair, are clustered at times when the instantaneous phase of the full flux loop signal is close to its value at the time of the first ELM

Variations in T Cell Transcription Factor Sequence and Expression Associated with Resistance to the Sheep Nematode Teladorsagia circumcincta

This study used selected lambs that varied in their resistance to the gastrointestinal parasite Teladorsagia circumcincta. Infection over 12 weeks identified susceptible (high adult worm count, AWC; high fecal egg count, FEC; low body weight, BW; low IgA) and resistant sheep (no/low AWC and FEC, high BW and high IgA). Resistance is mediated largely by a Th2 response and IgA and IgE antibodies, and is a heritable characteristic. The polarization of T cells and the development of appropriate immune responses is controlled by the master regulators, T-bet (TBX21), GATA-3 (GATA3), RORγt (RORC2) and RORα (RORA); and several inflammatory diseases of humans and mice are associated with allelic or transcript variants of these transcription factors. This study tested the hypothesis that resistance of sheep to T. circumcincta is associated with variations in the structure, sequence or expression levels of individual master regulator transcripts. We have identified and sequenced one variant of sheep TBX21, two variants of GATA3 and RORC2 and five variants of RORA from lymph node mRNA. Relative RT-qPCR analysis showed that TBX21, GATA3 and RORC2 were not significantly differentially-expressed between the nine most resistant (AWC, 0; FEC, 0) and the nine most susceptible sheep (AWC, mean 6078; FEC, mean 350). Absolute RT-qPCR on 29 all 45 animals identified RORAv5 as being significantly differentially-expressed (p = 0.038) 30 between resistant, intermediate and susceptible groups; RORAv2 was not differentially- 31 expressed (p = 0.77). Spearman’s rank analysis showed that RORAv5 transcript copy number 32 was significantly negatively correlated with parameters of susceptibility, AWC and FEC; and 33 was positively correlated with BW. RORAv2 was not correlated with AWC, FEC or BW but 34 was significantly negatively correlated with IgA antibody levels [corrected]. This study identifies the full length RORA variant (RORAv5) as important in controlling the protective immune response to T. circumcincta infection in sheep

Socio-cultural dimensions of marine spatial planning

Bringing together the complex social and cultural dimensions of marine spatial planning (MSP), this chapter examines how these two terms are applied (or not) in the context of MSP. Global marine and coastal planning continues to recognise that human activities must be considered in order to account for the dynamic interconnectivity between society and the sea. Many research fields explore the importance of the sea to identity, sense of place, health or community cohesion. However, these draw on a range of different assumptions to mainstream marine science and struggle to be incorporated into traditional policy processes, environmental assessments and large-scale planning processes. In this chapter, we interrogate the concept of ‘socio-cultural’, examining how this is being defined and applied across the MSP landscape