Distributional extensions of Carollia castanea and Micronycteris minuta from Guatemala, Central America

Field expeditions in 2011 that inventoried the terrestrial vertebrate fauna of two wildlife protected areas in the tropical Caribbean of Guatemala have produced the first confirmed records of two bats for the country: the white-bellied big-eared bat, Micronycteris (Schizonycteris) minuta (Gervais 1856) and the Chesnut short-tailed bat Carollia castanea H. Allen, 1890, both of neotropical distribution and with their current northern limit at Lancetilla, Honduras. The record of M. minuta at Sierra de Caral, Guatemala extends the range of this species 137 km to the west, and the record of C. castanea at Cerro San Gil extends its range 147 km to the west

Sequential measurement of δ15N, δ13C and δ34S values in archaeological bone collagen at the Scottish Universities Environmental Research Centre (SUERC): a new analytical frontier

Rationale: The use of multi‐isotopic analysis (δ15N, δ13C and δ34S values) of archaeological bone collagen to assist in the interpretation of diet, movement and mobility of prehistoric populations is gradually increasing, yet many researchers have traditionally avoided investigating sulphur due to its very low concentrations (<0.3%) in mammalian collagen. For this reason, and as a consequence of analytical detection limits, sulphur is usually measured separately from carbon and nitrogen, which leads to longer analytical times and higher costs. Methods: A Thermo ScientificTM EA IsoLinkTM IRMS system, with the ability to rapidly heat a gas‐chromatography (GC) column and concentrate the sample gas online without cryo‐trapping, was used at the Radiocarbon Laboratory at SUERC. Optimisation of the GC temperature and carrier gas flow rate in the elemental analyser resulted in improved signal‐to‐noise ratio and sensitivity for SO2. This allowed for routine sequential N2, CO2 and SO2 measurements on small samples of bone collagen. Results: Improvements in sample gas transfer to the mass spectrometer allows for sequential δ15N, δ13C and δ34S values to be measured in 1–1.5 mg samples of bone collagen. Moreover, the sensitivity and signal‐to‐noise ratio of the sample gas, especially SO2, is improved, resulting in precisions of ±0.15‰ for δ15N values, ±0.1‰ for δ13C values and ±0.3‰ for δ34S values. Previous instrumentation allowed for the analysis of ~30 unknown samples before undertaking maintenance; however, ~150 unknown samples can now be measured, meaning a 5‐fold increase in sample throughput. Conclusions: The ability to sequentially measure δ15N, δ13C and δ34S values rapidly in archaeological bone collagen is an attractive option to researchers who want to build larger, more succinct datasets for their sites of interest, at a much‐reduced analytical cost and without destroying larger quantities of archaeological material

Gambling with Your Health: Associations Between Gambling Problem Severity and Health Risk Behaviours, Health and Wellbeing

The current study examined the association between gambling problem severity and health risk behaviours, health and wellbeing. A cross-sectional survey (including representative population and supplementary convenience samples) was conducted with 2303 adult residents of a British Island. Gambling problem severity was assessed using the Problem Gambling Severity Index. The EQ-5D-5L, WEMWBS and AUDIT-C were used to measure general health, mental wellbeing and alcohol use, respectively. Other measures included diet, physical exercise and tobacco use. Differences between gambling severity levels for each measure were analysed using logistic regression adjusting for age, sex and income. Compared to non-problem gamblers, moderate/high severity gamblers had higher odds of a poor diet, low physical exercise and poor general health. Tobacco use was associated with both low and moderate/high severity gambling. Low severity, but not moderate/high severity gambling, was significantly associated with binge and higher risk drinking behaviours. Health risk behaviours tended to cluster, with a graded relationship between gambling problem severity and odds of reporting at least two health risk behaviours. Compared to non-problem gamblers, low severity gamblers were approximately twice as likely and moderate/high severity gamblers were three times as likely, to have low mental wellbeing. Findings suggest associations between gambling problems and a range of health risk behaviours and health issues, and crucially that such issues are not limited to gamblers with the highest severity of problems. Addressing gambling across the whole continuum of risk should be a key public health priority

Strongly Bound Surface Water Affects the Shape Evolution of Cerium Oxide Nanoparticles

The surface structure and composition of functional materials are well-known to be critically important factors controlling the surface reactivity. However, when doped the surface composition will change, and the challenge is to identify its impact on important surface processes and nanoparticle morphologies. We have begun to address this by using a combination of density functional theory and potential-based methods to investigate the effect of surface dopants on water adsorption and morphology of the technologically important material, CeO$_2$, which finds application as electrolyte in SOFCs, catalyst in soot combustion, and enzyme mimetic agents in biomedicine. We show that by mapping CeO$_2$ surface phase diagrams we can predict nanoparticle morphologies as a function of dopant, temperature, and water partial pressure. Our results show that low-temperature, undoped CeO$_2$ nanocubes with active {100} surface sites are thermodynamically stable, but at the typical high temperature, operating conditions favor polyhedra where {100} surfaces are replaced by less active {111} surfaces by surface ion migration. However, doping with trivalent cations, such as Gd$^{3+}$, will increase binding of water on the {100} surfaces and hence act to preserve the cuboidal architecture by capping the active surfaces. As surfaces tend to be decorated by impurities and dopants it is clear that their role should receive more attention and the approach we describe can be routinely applied to nanomaterials, morphologies, and associated active/inactive surfaces

Computer-Aided Design of Nanoceria Structures as Enzyme Mimetic Agents: The Role of Bodily Electrolytes on Maximising Their Activity

Nanoceria, typically used for ‘clean air’ catalytic converter technologies, is the same material that could also be used as a nanomedicine. Specifically, nanoceria, which can capture, store and release oxygen, for oxidative/reductive reactions, can also be used to control oxygen content in cellular environments; as a ‘nanozyme’, nanoceria mimics enzymes by acting as an antioxidant agent. The computational design procedures for predicting active materials for catalytic converters can therefore be used to design active ceria nanozymes. Crucially, the ceria nanomedicine is not a molecule; rather it is a crystal and exploits its unique crystal properties. Here, we use ab initio and classical computer modelling, together with experiment, to design structures for nanoceria that maximises its nanozymetic activity. We predict that the nanomaterial should have (truncated) polyhedral or cuboidal morphologies to expose (active) CeO2 {100} surfaces. It should also contain oxygen vacancies and surface –OH species. We also show that the surface structures strongly affects the biological activity of nanoceria. Analogous to catalyst poisoning, phosphorus 'poisoning' - the interaction of nanoceria with phosphate, a common bodily electrolyte – emanates from phosphate ions binding strongly to CeO2{100} surfaces, inhibiting oxygen capture and release and hence its ability to act as an nanozyme. Conversely, phosphate interaction with {111} surfaces is weak and therefore these surfaces protect the nanozyme against poisoning. The atom-level understanding presented here also illuminates catalytic processes and poisoning in ‘clean-air’ or fuel-cell technologies because the mechanism underpinning and exploited in each technology – oxygen capture, storage and release – is identical

Ga+, In+ and Tl+ Impurities in Alkali Halide Crystals: Distortion Trends

A computational study of the doping of alkali halide crystals (AX: A = Na, K; X = Cl, Br) by ns2 cations (Ga+, In+ and Tl+) is presented. Active clusters of increasing size (from 33 to 177 ions) are considered in order to deal with the large scale distortions induced by the substitutional impurities. Those clusters are embedded in accurate quantum environments representing the surrounding crystalline lattice. The convergence of the distortion results with the size of the active cluster is analyced for some selected impurity systems. The most important conclusion from this study is that distortions along the (100) and (110) crystallographic directions are not independent. Once a reliable cluster model is found, distortion trends as a function of impurity, alkali cation and halide anion are identified and discussed. These trends may be useful when analycing other cation impurities in similar host lattices.Comment: LaTeX file. 7 pages and 2 pictures. Accepted for publication in J. Chem. Phy

SMURFLite: combining simplified Markov random fields with simulated evolution improves remote homology detection for beta-structural proteins into the twilight zone

Motivation: One of the most successful methods to date for recognizing protein sequences that are evolutionarily related has been profile hidden Markov models (HMMs). However, these models do not capture pairwise statistical preferences of residues that are hydrogen bonded in beta sheets. These dependencies have been partially captured in the HMM setting by simulated evolution in the training phase and can be fully captured by Markov random fields (MRFs). However, the MRFs can be computationally prohibitive when beta strands are interleaved in complex topologies. We introduce SMURFLite, a method that combines both simplified MRFs and simulated evolution to substantially improve remote homology detection for beta structures. Unlike previous MRF-based methods, SMURFLite is computationally feasible on any beta-structural motif

Lattice Distortions Around a Tl+ Impurity in NaI:Tl+ and CsI:Tl+ Scintillators. An Ab Initio Study Involving Large Active Clusters

Ab initio Perturbed Ion cluster-in-the-lattice calculations of the impurity centers NaI:Tl+ and CsI:Tl+ are pressented. We study several active clusters of increasing complexity and show that the lattice relaxation around the Tl+ impurity implies the concerted movement of several shells of neighbors. The results also reveal the importance of considering a set of ions that can respond to the geometrical displacements of the inner shells by adapting selfconsistently their wave functions. Comparison with other calculations involving comparatively small active clusters serves to assert the significance of our conclusions. Contact with experiment is made by calculating absorption energies. These are in excellent agreement with the experimental data for the most realistic active clusters considered.Comment: 7 pages plus 6 postscript figures, LaTeX. Submmited to Phys, Rev.

Ab Initio Calculation of the Lattice Distortions induced by Substitutional Ag- and Cu- Impurities in Alkali Halide Crystals

An ab initio study of the doping of alkali halide crystals (AX: A = Li, Na, K, Rb; X = F, Cl, Br, I) by ns2 anions (Ag- and Cu-) is presented. Large active clusters with 179 ions embedded in the surrounding crystalline lattice are considered in order to describe properly the lattice relaxation induced by the introduction of substitutional impurities. In all the cases considered, the lattice distortions imply the concerted movement of several shells of neighbors. The shell displacements are smaller for the smaller anion Cu-, as expected. The study of the family of rock-salt alkali halides (excepting CsF) allows us to extract trends that might be useful at a predictive level in the study of other impurity systems. Those trends are presented and discussed in terms of simple geometric arguments.Comment: LaTeX file. 8 pages, 3 EPS pictures. New version contains calculations of the energy of formation of the defects with model clusters of different size