Magnetic states of linear defects in graphene monolayers: effects of strain and interaction

The combined effects of defect-defect interaction and of uniaxial or biaxial strains of up to 10\% on the development of magnetic states on the defect-core-localized quasi-one-dimensional electronic states generated by the so-called 558 linear extended defect in graphene monolayers are investigated by means of {\it ab initio} calculations. Results are analyzed on the basis of the heuristics of the Stoner criterion. We find that conditions for the emergence of magnetic states on the 558 defect can be tuned by uniaxial tensile parallel strains (along the defect direction) at both limits of isolated and interacting 558 defects. Parallel strains are shown to lead to two cooperative effects that favor the emergence of itinerant magnetism: enhancement of the DOS of the resonant defect states in the region of the Fermi level and tuning of the Fermi level to the maximum of the related DOS peak. A perpendicular strain is likewise shown to enhance the DOS of the defect states, but it also effects a detunig of the Fermi level that shifts away from the maximum of the DOS of the defect states, which inhibts the emergence of magnetic states. As a result, under biaxial strains the stabilization of a magnetic state depends on the relative magnitudes of the two components of strain.Comment: 9 pages 8 figure

Cellular and Cytokine Responses in the Granulomas of Asymptomatic Cattle naturally infected with Mycobacterium bovis in Ethiopia

Cells (CD3+ T cell and CD68+ macrophages), cytokines (IFN-γ+ and TNF-α+) and effector molecule (iNOS+) responses were evaluated in the lymph nodes and tissue of cattle naturally infected with Detailed post mortem and immunohistochemical examinations of lesions were performed on 16 cows positive for single intradermal cervical comparative tuberculin (SICCT) test which were identified from dairy farms located around the Addis Ababa City. The severity of the gross lesion was significantly higher (p=0.003) in culture positive (n=12) cows than in culture negative (n=4). Immunohistochemical techniques showed that in culture positive cows, the mean immunolabeling fraction of CD3+ T cells decreased as the stage of granuloma increased from stage I to stage IV (p<0.001). In contrast, the immunolabelling fraction of CD68+ macrophages, IFN-γ+, TNF-α+ and iNOS+ increased from stage I to stage IV (p< 0.001). In culture negative cows, early stages showed a significantly higher fraction of CD68+ macrophages (p=0.03) and iNOS+ (p=0.007) when compared to culture positive cows. Similarly, at advanced granuloma stages, culture negative cows demonstrated significantly higher mean proportions of CD3+ T cells (p< 0.001) compared to culture positive cows. Thus, this study demonstrates that following natural infection of cows with , as the stage of granuloma increases from stage I to stage IV, the immunolabelling fraction of CD3+ cells decreases while the immunolabeling fraction of CD68+ macrophages, IFN-γ+, TNF-α+ and iNOS+ increases. [Abstract copyright: Copyright © 2020 Tulu et al.

Flash Vacuum Pyrolysis of Lignin Model Compounds: Reaction Pathways of Aromatic Methoxy Groups

Currently, there is interest in utilizing lignin, a major constituent of biomass, as a renewable source of chemicals and fuels. High yields of liquid products can be obtained from the flash or fast pyrolysis of biomass, but the reaction pathways that lead to product formation are not understood. To provide insight into the primary reaction pathways under process relevant conditions, we are investigating the flash vacuum pyrolysis (FVP) of lignin model compounds at 500 C. This presentation will focus on the FVP of {beta}-ether linkages containing aromatic methoxy groups and the reaction pathways of methoxy-substituted phenoxy radicals

One-loop corrections to the curvature perturbation from inflation

An estimate of the one-loop correction to the power spectrum of the primordial curvature perturbation is given, assuming it is generated during a phase of single-field, slow-roll inflation. The loop correction splits into two parts, which can be calculated separately: a purely quantum-mechanical contribution which is generated from the interference among quantized field modes around the time when they cross the horizon, and a classical contribution which comes from integrating the effect of field modes which have already passed far beyond the horizon. The loop correction contains logarithms which may invalidate the use of naive perturbation theory for cosmic microwave background (CMB) predictions when the scale associated with the CMB is exponentially different from the scale at which the fundamental theory which governs inflation is formulated.Comment: 28 pages, uses feynmp.sty and ioplatex journal style. v2: supersedes version published in JCAP. Some corrections and refinements to the discussion and conclusions. v3: Corrects misidentification of quantum correction with an IR effect. Improvements to the discussio

Canine NAPEPLD-associated models of human myelin disorders

Canine leukoencephalomyelopathy (LEMP) is a juvenile-onset neurodegenerative disorder of the CNS white matter currently described in Rottweiler and Leonberger dogs. Genome-wide association study (GWAS) allowed us to map LEMP in a Leonberger cohort to dog chromosome 18. Subsequent whole genome re-sequencing of a Leonberger case enabled the identification of a single private homozygous non-synonymous missense variant located in the highly conserved metallo-beta-lactamase domain of the N-acyl phosphatidylethanolamine phospholipase D (NAPEPLD) gene, encoding an enzyme of the endocannabinoid system. We then sequenced this gene in LEMP-affected Rottweilers and identified a different frameshift variant, which is predicted to replace the C-terminal metallo-beta-lactamase domain of the wild type protein. Haplotype analysis of SNP array genotypes revealed that the frameshift variant was present in diverse haplotypes in Rottweilers, and also in Great Danes, indicating an old origin of this second NAPEPLD variant. The identification of different NAPEPLD variants in dog breeds affected by leukoencephalopathies with heterogeneous pathological features, implicates the NAPEPLD enzyme as important in myelin homeostasis, and suggests a novel candidate gene for myelination disorders in people

The camera of the fifth H.E.S.S. telescope. Part I: System description

In July 2012, as the four ground-based gamma-ray telescopes of the H.E.S.S. (High Energy Stereoscopic System) array reached their tenth year of operation in Khomas Highlands, Namibia, a fifth telescope took its first data as part of the system. This new Cherenkov detector, comprising a 614.5 m^2 reflector with a highly pixelized camera in its focal plane, improves the sensitivity of the current array by a factor two and extends its energy domain down to a few tens of GeV. The present part I of the paper gives a detailed description of the fifth H.E.S.S. telescope's camera, presenting the details of both the hardware and the software, emphasizing the main improvements as compared to previous H.E.S.S. camera technology.Comment: 16 pages, 13 figures, accepted for publication in NIM

Classical approximation to quantum cosmological correlations

We investigate up to which order quantum effects can be neglected in calculating cosmological correlation functions after horizon exit. As a toy model, we study $\phi^3$ theory on a de Sitter background for a massless minimally coupled scalar field $\phi$. We find that for tree level and one loop contributions in the quantum theory, a good classical approximation can be constructed, but for higher loop corrections this is in general not expected to be possible. The reason is that loop corrections get non-negligible contributions from loop momenta with magnitude up to the Hubble scale H, at which scale classical physics is not expected to be a good approximation to the quantum theory. An explicit calculation of the one loop correction to the two point function, supports the argument that contributions from loop momenta of scale $H$ are not negligible. Generalization of the arguments for the toy model to derivative interactions and the curvature perturbation leads to the conclusion that the leading orders of non-Gaussian effects generated after horizon exit, can be approximated quite well by classical methods. Furthermore we compare with a theorem by Weinberg. We find that growing loop corrections after horizon exit are not excluded, even in single field inflation.Comment: 44 pages, 1 figure; v2: corrected errors, added references, conclusions unchanged; v3: added section in which we compare with stochastic approach; this version matches published versio

Effect of molecular and electronic structure on the light harvesting properties of dye sensitizers

The systematic trends in structural and electronic properties of perylene diimide (PDI) derived dye molecules have been investigated by DFT calculations based on projector augmented wave (PAW) method including gradient corrected exchange-correlation effects. TDDFT calculations have been performed to study the visible absorbance activity of these complexes. The effect of different ligands and halogen atoms attached to PDI were studied to characterize the light harvesting properties. The atomic size and electronegativity of the halogen were observed to alter the relaxed molecular geometries which in turn influenced the electronic behavior of the dye molecules. Ground state molecular structure of isolated dye molecules studied in this work depends on both the halogen atom and the carboxylic acid groups. DFT calculations revealed that the carboxylic acid ligands did not play an important role in changing the HOMO-LUMO gap of the sensitizer. However, they serve as anchor between the PDI and substrate titania surface of the solar cell or photocatalyst. A commercially available dye-sensitizer, ruthenium bipyridine (RuBpy), was also studied for electronic and structural properties in order to make a comparison with PDI derivatives for light harvesting properties. Results of this work suggest that fluorinated, chlorinated, brominated, and iyodinated PDI compounds can be useful as sensitizers in solar cells and in artificial photosynthesis.Comment: Single pdf file, 14 pages with 7 figures and 4 table

Processes, practices and influence: a mixed methods study of public health contributions to alcohol licensing in local government

Background: Public health in England has opportunities to reduce alcohol-related harms via shaping the availability and accessibility of alcohol through the licensing function in local government. While the constraints of licensing legislation have been recognised, what is currently little understood are the day-to-day realities of how public health practitioners enact the licensing role, and how they can influence the local alcohol environment. Methods: To address this, a mixed-methods study was conducted across 24 local authorities in Greater London between 2016 and 17. Data collection involved ethnographic observation of public health practitioners' alcohol licensing work (in eight local authorities); a survey of public health practitioners (n = 18); interviews with licensing stakeholders (n = 10); and analysis of public health licensing data from five local authorities. Fieldnotes and interview transcripts were analysed thematically, and quantitative data were analysed using descriptive statistics. Results: Results indicated that some public health teams struggle to justify the resources required to engage with licensing processes when they perceive little capacity to influence licensing decisions. Other public health teams consider the licensing role as important for shaping the local alcohol environment, and also as a strategic approach for positioning public health within the council. Practitioners use different processes to assess the potential risks of licence applications but also the potential strengths of their objections, to determine when and how actions should be taken. Identifying the direct influence of public health on individual licences is challenging, but the study revealed how practitioners did achieve some level of impact, for example through negotiation with applicants. Conclusions: This study shows public health impact following alcohol licensing work is difficult to measure in terms of reducing alcohol-related harms, which poses challenges for justifying this work amid resource constraints. However, there is potential added value of the licensing role in strategic positioning of public health in local government to influence broader determinants of health