C-H...N hydrogen bonding in an overlayer of s-triazine physisorbed on a graphite surface

The structure of a crystalline monolayer of 1,3,5-triazine has been characterised using X-ray diffraction. The monolayer is found to exhibit a hexagonal unit cell with a lattice parameter of 6.161(5) Å, indicating the formation of C–H…N hydrogen bonds. DFT simulations have been performed exhibiting close agreement with the experimental structure. By comparing the strength of the intermolecular interactions both with and in the absence of Van der Waals corrections, it is possible to estimate an interaction strength for the weak C–H…N hydrogen bonds.We acknowledge financial support for JAD from an Engineering and Physical Sciences Research Council (EPSRC) DTA studentship award from the Department of Chemistry, University of Cambridge

Benchmark low-mass objects in Moving Groups

This is an Open Access article distributed under the terms of the Creative Commons Attribution License 2.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.In order to compile a sample of ultracool dwarfs that will serve as benchmarks for testing theoretical formation and evolutionary models, we selected low-mass cool (>M7) objects that are potentially members of five known young Moving Groups in the solar neighbourhood. We have studied the kinematics of the sample, finding that 49 targets belong to the young disk area, from which 36 are kinematic member of one of the five moving groups under study. Some of the identified low-mass members have been spectroscopically characterised (T-eff, log g) and confirmed as young members through a detailed study of age indicators

Measuring nursing workload: a cautionary tale

The need to develop methods of measuring nursing workload is not new, but the search for accurate measures to calculate the demand for nursing has assumed greater significance in recent years owing to the advent of resource management and the necessity to manage efficiently the most costly resource in the NHS; that of nursing. Currently there are 23 Nurse Management Systems available to choose from and of these, some are ward nurse tracking systems/nurse deployment or rostering systems, some are designed to provide workload requirements, and others, which tend to be those introduced most recently, serve a care-planning function. This paper examines the methodologies and instruments used for measuring nursing workload and describes the rationale for selecting four Nursing Workload Management Systems (NWMs) for review. Integral to every NWM calculation is a series of parameters or assumptions. These parameters are derived, in most cases, from the results of activity analysis undertaken at the site where the chosen NWM is being implemented. The choice of basic parameters appropriate to individual wards/units is a crucial factor in the derivation of workload estimates and the financial consequences of these choices can range from £28,000 to £64,000 per annum per ward. There is general agreement that efficient nursing utilisation is becoming increasingly urgent in the “new” NHS. Whilst the reliability of all NWM systems is being questioned in the USA, criticism of NWM systems in the UK tends to be confined to certain aspects of a particular system or approach rather than to workload measurement as a whole. This UK perspective must be widened by the recognition of the fundamental weaknesses of reliability and consistency of NWM systems.nursing, workload

2D constraint modifies packing behaviour: a halobenzene monolayer with X3 halogen-bonding motif.

Using a combination of X-ray diffraction and simulation techniques, we are able to identify a crystalline monolayer of 1,3,5-triiodotrifluorobenzene formed on graphite. The monolayer is found to exhibit an incommensurate hexagonal unit cell with a lattice parameter of 9.28(7) Å, exhibiting a trigonal arrangement of iodine atoms not found in the bulk structure. DFT simulations have been performed exhibiting close agreement with the experimental structure. Importantly these simulations can be used to compare the strength of the intermolecular interactions both with and without Van der Waals corrections. Thus it is possible to estimate that halogen bonding consists of approximately half the total interaction energy. This demonstrates that despite the presence of strong directional non-covalent bonding, dispersion interactions account for a very significant proportion of the total energy

The Emergence of the Modern Universe: Tracing the Cosmic Web

This is the report of the Ultraviolet-Optical Working Group (UVOWG) commissioned by NASA to study the scientific rationale for new missions in ultraviolet/optical space astronomy approximately ten years from now, when the Hubble Space Telescope (HST) is de-orbited. The UVOWG focused on a scientific theme, The Emergence of the Modern Universe, the period from redshifts z = 3 to 0, occupying over 80% of cosmic time and beginning after the first galaxies, quasars, and stars emerged into their present form. We considered high-throughput UV spectroscopy (10-50x throughput of HST/COS) and wide-field optical imaging (at least 10 arcmin square). The exciting science to be addressed in the post-HST era includes studies of dark matter and baryons, the origin and evolution of the elements, and the major construction phase of galaxies and quasars. Key unanswered questions include: Where is the rest of the unseen universe? What is the interplay of the dark and luminous universe? How did the IGM collapse to form the galaxies and clusters? When were galaxies, clusters, and stellar populations assembled into their current form? What is the history of star formation and chemical evolution? Are massive black holes a natural part of most galaxies? A large-aperture UV/O telescope in space (ST-2010) will provide a major facility in the 21st century for solving these scientific problems. The UVOWG recommends that the first mission be a 4m aperture, SIRTF-class mission that focuses on UV spectroscopy and wide-field imaging. In the coming decade, NASA should investigate the feasibility of an 8m telescope, by 2010, with deployable optics similar to NGST. No high-throughput UV/Optical mission will be possible without significant NASA investments in technology, including UV detectors, gratings, mirrors, and imagers.Comment: Report of UV/O Working Group to NASA, 72 pages, 13 figures, Full document with postscript figures available at http://casa.colorado.edu/~uvconf/UVOWG.htm

The current population of benchmark brown dwarfs

The number of brown dwarfs (BDs) now identified tops 700. Yet our understanding of these cool objects is still lacking, and models are struggling to accurately reproduce observations. What is needed is a method of calibrating the models, BDs whose properties (e.g. age, mass, distance, metallicity) that can be independently determined can provide such calibration. The ability to calculate properties based on observables is set to be of vital importance if we are to be able to measure the properties of fainter, more distant populations of BDs that near-future surveys will reveal, for which ground based spectroscopic studies will become increasingly difficult. We present here the state of the current population of age benchmark brown dwarfs.Comment: 2 pages, 1 figure, to appear in the conference proceedings "New Technologies for Probing the Diversity of Brown Dwarfs and Exoplanets", Shanghai, 19-24 July, 200

Low‐cost tools mitigate climate change during reproduction in an endangered marine ectotherm

This is the author accepted manuscript. The final version is available from Wiley via the DOI in this recordData Availability Statement: Data available via the Dryad Digital Repository https://doi.org/10.5061/dryad.3r2280gfq. (Clarke et al., 2021)The impacts of anthropogenic climate change will be most dramatic for species that live in narrow thermal niches, such as reptiles. Given the imminent threat to biodiversity, and that actions to reduce carbon emissions are not yet sufficient, it is important that a sound evidence base of potential mitigation options is available for conservation managers. Successful incubation and production of male sea turtle hatchlings is threatened by increased global temperatures (sex is determined by the temperature at which eggs incubate). Here we test two conservation tools to reduce incubation temperatures: clutch splitting and clutch shading, on a nesting loggerhead turtle (Caretta caretta) population in the Eastern Atlantic Ocean. During the thermosensitive period of incubation, split and shaded clutches were both 1.00 ˚C cooler than control nests. Clutch splitting (mean: 45 eggs) reduced nest temperatures by reducing metabolic heating during incubation compared to controls (mean: 92 eggs). Modelled primary sex ratios differed between nest treatments, with 1.50 % (± 6 % S.E.) females produced in shaded nests, 45.00 % (± 7 % S.E.) females in split nests and 69.00 % (± 6% S.E.) females in controls. Neither treatment affected hatchling size, success, mass or vigour. When clutch splitting was repeated two years later, hatch success was higher in split clutches compared to controls. Synthesis and Applications: Clutch splitting and clutch shading successfully altered the thermal profile of incubating turtle nests. When there is sufficient knowledge to better understand the effects of intervention on fundamental population demographics, they will be useful for reducing incubation temperatures in sea turtle nests, potentially increasing nest survival and male hatchling production. The effect of clutch splitting in reducing nest temperature was lower relative to clutch shading, but requires significantly less funding, materials and specialist skill, key factors for management of turtle rookeries that are often in remote, resource‐limited areas.Worldwide Fund for NatureWAVE Foundation of Newport Aquariu