Geomagnetically Induced Currents in the Irish Power Network during Geomagnetic Storms

Geomagnetically induced currents (GICs) are a well-known terrestrial space weather hazard. They occur in power transmission networks and are known to have adverse effects in both high and mid-latitude countries. Here, we study GICs in the Irish power transmission network (geomagnetic latitude 54.7--58.5$^{\circ}$ N) during five geomagnetic storms (06-07 March 2016, 20-21 December 2015, 17-18 March 2015, 29-31 October 2003 and 13-14 March 1989). We simulate electric fields using a plane wave method together with two ground resistivity models, one of which is derived from magnetotelluric measurements (MT model). We then calculate GICs in the 220, 275 and 400~kV transmission network. During the largest of the storm periods studied, the peak electric field was calculated to be as large as 3.8~V~km\textsuperscript{-1}, with associated GICs of up to 23~A using our MT model. Using our homogenous resistivity model, those peak values were 1.46~V~km\textsuperscript{-1} and 25.8~A. We find that three 400 and 275~kV substations are the most likely locations for the Irish transformers to experience large GICs.Comment: 14 pages, 11 Figures, 4 Table

A Multi-Faceted Approach of One Teaching Hospital NHS Trust during the Clostridium difficile Epidemic—Antibiotic Management and Beyond

The incidence of Clostridium difficile infection (CDI) in the UK rose dramatically during the early years of this century, in part associated with the emergence of the hyper-virulent ribotype 027 strain. The University Hospitals of Leicester (UHL), a 2000-bed acute UK NHS Trust, implemented a number of interventions, which led to an 80% reduction in new cases over a twelve month period. Changes were introduced as a result of collaboration between the Infection Prevention team, the departments of Microbiology and Infectious Diseases, and with the support of the Trust Executive. These strategies are described in detail and included; implementation of antimicrobial stewardship, specific hygiene and cleaning measures, the introduction of a care pathway form for all infected patients, the opening of an isolation ward for patients with CDI, strengthened organisation and clinical management, and rigorous attention to education within the Trust. The implementations described are of continued relevance in the face of new infection challenges, such as the increasing incidence of multi-drug resistant organisms

Tutorial on means of hybrid simulation

The benefits of Hybrid Simulation (HS) are well recorded in academic literature. It offers deeper insights into the real-life system as it allows modelers to assess its inherent problems from different dimensions. As a result HS has recently generated more attention from within the Modeling and Simulation arena. HS comes in many shapes and forms. For example, by linking two or more simulation models; linking simulation models with facilitative models; or linking simulation models with analytical models. This paper aims to explore several concepts related to HS modelling and design

Polarizable Multipole-Based Force Field for Aromatic Molecules and Nucleobases

Aromatic molecules with π electrons are commonly involved in chemical and biological recognitions. For example, nucleobases play central roles in DNA/RNA structure and their interactions with proteins. The delocalization of the π electrons is responsible for the high polarizability of aromatic molecules. In this work, the AMOEBA force field has been developed and applied to 5 regular nucleobases and 12 aromatic molecules. The permanent electrostatic energy is expressed as atomic multipole interactions between atom pairs, and many-body polarization is accounted for by mutually induced atomic dipoles. We have systematically investigated aromatic ring stacking and aromatic-water interactions for nucleobases and aromatic molecules, as well as base–base hydrogen-bonding pair interactions, all at various distances and orientations. van der Waals parameters were determined by comparison to the quantum mechanical interaction energy of these dimers and fine-tuned using condensed phase simulation. By comparing to quantum mechanical calculations, we show that the resulting classical potential is able to accurately describe molecular polarizability, molecular vibrational frequency, and dimer interaction energy of these aromatic systems. Condensed phase properties, including hydration free energy, liquid density, and heat of vaporization, are also in good overall agreement with experimental values. The structures of benzene liquid phase and benzene-water solution were also investigated by simulation and compared with experimental and PDB structure derived statistical results

Polarizable Multipole-Based Force Field for Aromatic Molecules and Nucleobases

Aromatic molecules with π electrons are commonly involved in chemical and biological recognitions. For example, nucleobases play central roles in DNA/RNA structure and their interactions with proteins. The delocalization of the π electrons is responsible for the high polarizability of aromatic molecules. In this work, the AMOEBA force field has been developed and applied to 5 regular nucleobases and 12 aromatic molecules. The permanent electrostatic energy is expressed as atomic multipole interactions between atom pairs, and many-body polarization is accounted for by mutually induced atomic dipoles. We have systematically investigated aromatic ring stacking and aromatic-water interactions for nucleobases and aromatic molecules, as well as base–base hydrogen-bonding pair interactions, all at various distances and orientations. van der Waals parameters were determined by comparison to the quantum mechanical interaction energy of these dimers and fine-tuned using condensed phase simulation. By comparing to quantum mechanical calculations, we show that the resulting classical potential is able to accurately describe molecular polarizability, molecular vibrational frequency, and dimer interaction energy of these aromatic systems. Condensed phase properties, including hydration free energy, liquid density, and heat of vaporization, are also in good overall agreement with experimental values. The structures of benzene liquid phase and benzene-water solution were also investigated by simulation and compared with experimental and PDB structure derived statistical results

MOESM1 of Development of new malaria diagnostics: matching performance and need

Additional file 1: Annex S1. Example target product profiles for malaria diagnostic markets

Appendix C. Species list (saproxylic beetles).

Species list (saproxylic beetles)

Appendix B. Relationship between structural and temporal forest variables and beetle community structure (transformed data).

Relationship between structural and temporal forest variables and beetle community structure (transformed data)

Appendix A. Relationship between structural and temporal forest variables and beetle community structure (untransformed data).

Relationship between structural and temporal forest variables and beetle community structure (untransformed data)

Confocal Raman Microscopy of Protein Adsorbed in Chromatographic Particles

Confocal Raman microscopy is a nondestructive analytical technique that combines the chemical information from vibrational spectroscopy with the spatial resolution of confocal microscopy. It was applied, for the first time, to measure conformation and distribution of protein adsorbed in wetted chromatographic particles. Monoclonal antibody was loaded into the Fractogel EMD SO₃ (M) cation exchanger at 2 mS/cm or 10 mS/cm. Amide I and III frequencies in the Raman spectrum of the adsorbed protein suggest that there are no detectable changes of the original β-sheet conformation in the chromatographic particles. Protein depth profile measurements indicate that, when the conductivity is increased from 2 mS/cm to 10 mS/cm, there is a change in mass transport mechanism for protein adsorption, from the shrinking-core model to the homogeneous-diffusion model. In this study, the use of confocal Raman microscopy to measure protein distribution in chromatographic particles fundamentally agrees with previous confocal laser scanning microscopic investigations, but confocal Raman spectroscopy enjoys additional advantages: use of unlabeled protein to eliminate fluorescent labeling, ability for characterization of protein secondary structure, and ability for spectral normalization to provide a nondestructive experimental approach to correct light attenuation effects caused by refractive index (RI) mismatching in semiopaque chromatographic particles