A Molecular Bis(isocyanide)silver(I) Nitrate Complex

Bis(p-tolylsulfonylmethylisocyanide)silver nitrate is obtained from the reaction of the isocyanide ligand with silver nitrate in chloroform regardless of the applied ratio of the reactands (1:1 or 2:1). The crystal structure of the product has been determined. In the complex molecule with C 2 symmetry, the nitrate anion is attached to the silver center as an η 2 -chelating ligand. Owing to this approach of the NO 3 ligand, the RNC-Ag-CNR axis (R = 4-Me-C 6 H 4 -SO 2 -CH 2 ) is bent [from 180 to 162.1(2) • ], but the geometry of the nitrate is not significantly distorted, suggesting only weak coordinative bonding. The structure is thus intermediate between that of a molecular complex with a tetrahedral coordination and that of an ionic compound with linear coordination of the silver center

Inclusion of Experimental Information in First Principles Modeling of Materials

We propose a novel approach to model amorphous materials using a first principles density functional method while simultaneously enforcing agreement with selected experimental data. We illustrate our method with applications to amorphous silicon and glassy GeSe$_2$. The structural, vibrational and electronic properties of the models are found to be in agreement with experimental results. The method is general and can be extended to other complex materials.Comment: 11 pages, 8 PostScript figures, submitted to J. Phys.: Condens. Matter in honor of Mike Thorpe's 60th birthda

The ampere and the electrical units in the quantum era

By fixing two fundamental constants from quantum mechanics, the Planck constant $h$ and the elementary charge $e$, the revised Syst\`eme International (SI) of units endorses explicitly quantum mechanics. This evolution also highlights the importance of this theory which underpins the most accurate realization of the units. From 20 May 2019, the new definitions of the kilogram and of the ampere, based on fixed values of $h$ and $e$ respectively, will particularly impact the electrical metrology. The Josephson effect (JE) and the quantum Hall effect (QHE), used to maintain voltage and resistance standards with unprecedented reproducibility since 1990, will henceforth provide realizations of the volt and the ohm without the uncertainties inherited from the older electromechanical definitions. More broadly, the revised SI will sustain the exploitation of quantum effects to realize electrical units, to the benefit of end-users. Here, we review the state-of-the-art of these standards and discuss further applications and perspectives.Comment: 78 pages, 35 figure

A new flood risk assessment framework for evaluating the effectiveness of policies to improve urban flood resilience

This is the author accepted manuscript. The final version is available from Taylor & Francis via the DOI in this record.To better understand the impacts of flooding such that authorities can plan for adapting measures to cope with future scenarios, we have developed a modified Drivers-Pressures-State-Impact-Response (DPSIR) framework to allow policy makers to evaluate strategies for improving flood resilience in cities. We showed that this framework proved an effective approach to assessing and improving urban flood resilience, albeit with some limitations. This framework has difficulties in capturing all the important relationships in cities, especially with regards to feedbacks. There is therefore a need to develop improved techniques for understanding components and their relationships. While this research showed that risk assessment is possible even at the mega-city scale, new techniques will support advances in this field. Finally, a chain of models engenders uncertainties. However, the resilience approach promoted in this research, is an effective manner to work with uncertainty by providing the capacity to cope and respond to multiple scenariosResearch on the CORFU (Collaborative research on flood resilience in urban areas) project was funded by the European Commission through Framework Programme 7, Grant Number 244047. The work in this paper was partially funded by the PEARL (Preparing for Extreme And Rare events in coastaL regions) project, supported by the European Union's Seventh Framework Programme under Grant Agreement No 603663

Discovery of the Ultra-Bright Type II-L Supernova 2008es

We report the discovery by the Robotic Optical Transient Experiment (ROTSE-IIIb) telescope of SN 2008es, an overluminous supernova (SN) at z=0.205 with a peak visual magnitude of -22.2. We present multiwavelength follow-up observations with the Swift satellite and several ground-based optical telescopes. The ROTSE-IIIb observations constrain the time of explosion to be 23+/-1 rest-frame days before maximum. The linear decay of the optical light curve, and the combination of a symmetric, broad H\alpha emission line profile with broad P Cygni H\beta and Na I \lambda5892 profiles, are properties reminiscent of the bright Type II-L SNe 1979C and 1980K, although SN 2008es is greater than 10 times more luminous. The host galaxy is undetected in pre-supernova Sloan Digital Sky Survey images, and similar to Type II-L SN 2005ap (the most luminous SN ever observed), the host is most likely a dwarf galaxy with M_r > -17. Swift Ultraviolet/Optical Telescope observations in combination with Palomar photometry measure the SED of the SN from 200 to 800 nm to be a blackbody that cools from a temperature of 14,000 K at the time of the optical peak to 6400 K 65 days later. The inferred blackbody radius is in good agreement with the radius expected for the expansion speed measured from the broad lines (10,000 km/s). The bolometric luminosity at the optical peak is 2.8 x 10^44 erg/s, with a total energy radiated over the next 65 days of 5.6 x 10^50 erg. We favor a model in which the exceptional peak luminosity is a consequence of the core-collapse explosion of a progenitor star with a low-mass extended hydrogen envelope and a stellar wind with a density close to the upper limit on the mass-loss rate measured from the lack of an X-ray detection by the Swift X-Ray Telescope. (Abridged).Comment: Accepted to ApJ, 14 pages, 7 figures, 3 tables, emulateapj, corrections from proofs adde

Use of horseradish peroxidase for gene-directed enzyme prodrug therapy with paracetamol

Gene therapy is a potential method of treating cancer with a greater degree of targeting than conventional therapies. In addition, therapy can be directed towards cells within the tumour population that are traditionally resistant to current treatment schedules. Horseradish peroxidase (HRP) can oxidise paracetamol to N-acetyl-p-benzoquinoneimine via a one-electron pathway. Incubation of human cells expressing HRP with 0.5–10 mm paracetamol reduced clonogenic survival, but had little effect on control cells. A small increase in apoptosis was seen and a decrease in the number of cells undergoing mitosis, consistent with reports in hepatocytes using higher paracetamol concentrations. The cytotoxicity was also seen under conditions of severe hypoxia (catalyst induced anoxia), indicating that the HRP/paracetamol combination may be suitable for hypoxia-targeted gene therapy

Jet Quenching in Heavy Ion Collisions

This review article was prepared for the Landolt-Boernstein volume on Relativisitc Heavy Ion Physics.Comment: Review articel accepted for publication in the Landolt-Boernstein Handbook of Physics, ed. R. Stock. 41 pages LaTex, 7 eps-figure

A modelling testbed to demonstrate the circular economy of water

This is the final version. Available from Elsevier via the DOI in this record. Data availability: Data will be made available on request.Climate change poses significant challenges in terms of water scarcity, environmental crisis, and economic uncertainty. This situation drives an increasing need to pursue more sustainable futures and to conserve and maximise the use of resources whenever possible. The EU-funded H2020 NextGen project aimed to boost sustainability using new and novel technologies and approaches implemented within the water cycle, and to maximise the efficient use of water and water-embedded resources. To facilitate and communicate the potential benefits of such technologies, NextGen developed Serious Games (SGs), enabled by underlying System Dynamic Models (SDMs), for demonstrating how interactions between water, energy, and materials/embedded resources within the urban water cycle can be utilised in the context of the Circular Economy of water. As part of a fast-track development process, a testbed dubbed “Toy Town” was developed that encompasses a range of technologies and options that provides a demonstrable framework that can later be refined and modified accordingly for other case studies. The underlying SDM driving the SG is built using the Julia programming language. The testbed incorporates a range of components, including water-saving and water-reuse technologies, stormwater management, and wastewater treatment systems. The SDM acts fundamentally as a mass-balance model tracking over time volumetric flows of water/wastewater and the concentrations/dilution of pollutants/material within the urban water cycle. A variety of water use, water reuse and wastewater treatment components can be tested within this model to maximise the resource potential of the water and material moving through the cycle. The paper focuses on an extreme drought scenario and highlights the benefits of a modelling testbed for exploring potential technological solutions for managing the urban water cycle and how such solutions can be employed in the context of the circular economy of water. The NextGen SG thus has the potential to improve stakeholders’ understanding of the implementation of novel technologies in the water cycle and the benefits that could be accrued by such stakeholder groups.European Commissio

Lagrangian analysis led design of a shock recovery plate impact experiment

Shock recovery techniques, such as the flyer-plate impact test, are used to examine a material that has been subjected to a single well-defined shock, followed by a single release wave. One of the key requirements of this type of technique is that the process should be such that any change found in the sample after recovery, can only be attributed to the shock process alone. Therefore, the principal problem for a test specimen-fixture assembly is that it is designed such that the loading history of the recovered specimen is known. This has motivated this research through the analysis led design of a shock recovery experiment. The choice of Lagrangian Finite Element Analysis for this design work was driven by the method's ability to accurately track history variables (for plastic deformation) and treat contact interactions which are crucial in this problem. Starting from an initial configuration, LS-Dyna has been used to analyse in detail the resulting wave propagation to ensure the generation of a uniaxial strain state in the specimen through Lagrangian distance-time diagrams. These iso-maps enabled the identification of potential shortcomings with the initial design, in terms of the transmission of contact and the influence of radial release waves at the different boundaries between specimen and supporting fixture rings. The benefits of using Lagrangian Finite Element Analysis for this design work are its ability to track history variables (for plastic deformation) and contact treatment. Based on these findings, a new configuration was developed, which consists of an array of concentric rings that support the specimen. During shock formation in the specimen, these rings progressively transfer the loading in the impact direction and radially away from the specimen, acting as momentum traps and preventing unwanted release waves from affecting the strain state experienced by the specimen. Comparing distance time diagrams between original and proposed configurations, a design sensitivity analysis was performed, where the new geometry resulted in a decrease of both the residual velocity (-38%) and radial displacement (-27%) of the target when compared to the original setup