Using multiple geochemical proxies to trace origin of gypsum (Gulf of Carpentaria, Australia, -70ka).

This paper discusses the geochemical signature of the Carpentaria evaporitic levels using minor-trace and rare-earth elements (REE) and Sr, O, C and S isotopes. The chemistry of these evaporites reveals important criteria for distinguishing between ancient marine and non-marine evaporites. © 2007, Sociedad Geologica de Espan

Charging Induced Emission of Neutral Atoms from NaCl Nanocube Corners

Detachment of neutral cations/anions from solid alkali halides can in principle be provoked by donating/subtracting electrons to the surface of alkali halide crystals, but generally constitutes a very endothermic process. However, the amount of energy required for emission is smaller for atoms located in less favorable positions, such as surface steps and kinks. For a corner ion in an alkali halide cube the binding is the weakest, so it should be easier to remove that atom, once it is neutralized. We carried out first principles density functional calculations and simulations of neutral and charged NaCl nanocubes, to establish the energetics of extraction of neutralized corner ions. Following hole donation (electron removal) we find that detachment of neutral Cl corner atoms will require a limited energy of about 0.8 eV. Conversely, following the donation of an excess electron to the cube, a neutral Na atom is extractable from the corner at the lower cost of about 0.6 eV. Since the cube electron affinity level (close to that a NaCl(100) surface state, which we also determine) is estimated to lie about 1.8 eV below vacuum, the overall energy balance upon donation to the nanocube of a zero energy electron from vacuum will be exothermic. The atomic and electronic structure of the NaCl(100) surface, and of the nanocube Na and Cl corner vacancies are obtained and analyzed as a byproduct.Comment: 16 pages, 2 table, 7 figure

Precursor-Dependent Photocatalytic Activity of Carbon Dots

This work systematically compares both structural features and photocatalytic performance of a series of graphitic and amorphous carbon dots (CDs) prepared in a bottom-up manner from fructose, glucose, and citric acid. We demonstrate that the carbon source and synthetic procedures diversely affect the structural and optical properties of the CDs, which in turn unpredictably influence their photo electron transfer ability. The latter was evaluated by studying the photo-reduction of methyl viologen. Overall, citric acid-CDs were found to provide the best photocatalytic performance followed by fructose- and glucose-CDs. However, while the graphitization of glucose- and citric acid-CDs favored the photo-reaction, a reverse structure-activity dependence was observed for fructose-CDs due to the formation of a large graphitic-like supramolecular assembly. This study highlights the complexity to design in advance photo-active bio-based carbon nanomaterials

Fault-controlled and stratabound dolostones in the Late Aptian-earliest Albian Benassal Formation (Maestrat Basin, E Spain) : petrology and geochemistry constrains

This study was developed under the ExxonMobil FC2 Alliance (Fundamental Controls on Flow in Carbonates). The authors wish to thank ExxonMobil Production Company and ExxonMobil Upstream Research Company for providing funding. The views in this article by Sherry L. Stafford are her own and not necessarily those of ExxonMobil. This research was supported by the Sedimentary Geology Research Group of the Generalitat de Catalunya (2014SGR251). We would like to thank Andrea Ceriani and Paola Ronchi for their critical and valuable reviews, and Associated Editor Piero Gianolla for the editorial work.Peer reviewedPostprin

Designing Ln3+-doped BiF3 particles for luminescent primary thermometry and molecular logic

The design of molecular materials suitable for disparate fields could lead to new advances in engineering applications. In this work, a series of Ln3+-doped BiF3 sub-microparticles were synthesized through microwave-assisted synthesis. The effects of doping are evaluated from the structural and morphological viewpoint. In general, increasing the Ln3+ concentration the octahedral habitus is distorted to a spheric one, and some aggregates are visible without any differences in the crystalline phase. The optical response of the samples confirms that the BiF3 materials are suitable hosts for the luminescence of the tested trivalent lanthanide (Ln3+) ions (Ln = Eu, Tb, Tm, Ho, Er, Yb). A Yb3+/ Er3+ co-doped sample is presented as an illustrative example of all-photonic molecular logic operations and primary luminescent thermometry.publishe

Geochronological and geochemical data from fracture-filling calcites from the Lower Pedraforca thrust sheet (SE Pyrenees)

U-Pb dating using laser ablation-inductively coupled plasma mass spectrometry (LA-ICP-MS), δ13C, δ18O, clumped isotopes and 87Sr/86Sr analysis, and electron microprobe have been applied to fracture-filling calcites and host carbonates from the Lower Pedraforca thrust sheet, in the SE Pyrenees. These data are used to determine the type and origin of migrating fluids, the evolution of the palaeohydrological system and timing of fracturing during the emplacement of this thrust sheet, as described in the article “From hydroplastic to brittle deformation: controls on fluid flow in fold and thrust belts. Insights from the Lower Pedraforca thrust sheet (SE Pyrenees)” – Marine and Petroleum Geology (2020). The integration of these data is also used to compare the fluid flow evolution of the Southern Pyrenees with that of other orogens worldwide and to generate a fluid flow model in fold and thrust belts. At a more local scale, the U-Pb dataset provides new absolute ages recording the deformation in the Lower Pedraforca thrust sheet, which was previously dated by means of indirect methods such as biostratigraphy of marine sediments and magnetostratigraphy of continental deposits

Silver doping of silica-hafnia waveguides containing Tb3+/Yb3+ rare earths for downconversion in PV solar cells

The aim of this paper is to study the possibility to obtain an efficient downconverting waveguide which combines the quantum cutting properties of Tb3+/Yb3+ codoped materials with the optical sensitizing effects provided by silver doping. The preparation of 70SiO(2)-30HfO(2) glass and glass-ceramic waveguides by sol-gel route, followed by Ag doping by immersion in molten salt bath is reported. The films were subsequently annealed in air to induce the migration and/or aggregation of the metal ions. Results of compositional and optical characterization are given, providing evidence for the successful introduction of Ag in the films, while the photoluminescence emission is strongly dependent on the annealing conditions. These films could find potential applications as downshifting layers to increase the efficiency of PV solar cells. (C) 2016 Elsevier B.V. All rights reserved

From early contraction to post-folding fluid evolution in the frontal part of the boixols thrust sheet (southern pyrenees) as revealed by the texture and geochemistry of calcite cements

Structural, petrological and geochemical (δ13C, δ18O, clumped isotopes, 87Sr/86Sr and ICP-MS) analyses of fracture-related calcite cements and host rocks are used to establish a fluid-flow evolution model for the frontal part of the Bóixols thrust sheet (Southern Pyrenees). Five fracture events associated with the growth of the thrust-related Bóixols anticline and Coll de Nargó syncline during the Alpine orogeny are distinguished. These fractures were cemented with four generations of calcite cements, revealing that such structures allowed the migration of different marine and meteoric fluids through time. During the early contraction stage, Lower Cretaceous seawater circulated and precipitated calcite cement Cc1, whereas during the main folding stage, the system opened to meteoric waters, which mixed with the connate seawater and precipitated calcite cement Cc2. Afterwards, during the post-folding stages, connate evaporated marine fluids circulated through newly formed NW-SE and NE-SW conjugate fractures and later through strike-slip faults and precipitated calcite cements Cc3 and Cc4. The overall paragenetic sequence reveals the progressive dewatering of Cretaceous marine host sediments during progressive burial, deformation and fold tightening and the input of meteoric waters only during the main folding stage. This study illustrates the changes of fracture systems and the associated fluid-flow regimes during the evolution of fault-associated folds during orogenic growth

Further investigation of confirmed urinary tract infection (UTI) in children under five years: a systematic review.

Background: Further investigation of confirmed UTI in children aims to prevent renal scarring and future complications. Methods: We conducted a systematic review to determine the most effective approach to the further investigation of confirmed urinary tract infection (UTI) in children under five years of age. Results: 73 studies were included. Many studies had methodological limitations or were poorly reported. Effectiveness of further investigations: One study found that routine imaging did not lead to a reduction in recurrent UTIs or renal scarring. Diagnostic accuracy: The studies do not support the use of less invasive tests such as ultrasound as an alternative to renal scintigraphy, either to rule out infection of the upper urinary tract (LR- = 0.57, 95%CI: 0.47, 0.68) and thus to exclude patients from further investigation or to detect renal scarring (LR+ = 3.5, 95% CI: 2.5, 4.8). None of the tests investigated can accurately predict the development of renal scarring. The available evidence supports the consideration of contrast-enhanced ultrasound techniques for detecting vesico-ureteric reflux (VUR), as an alternative to micturating cystourethrography (MCUG) (LR+ = 14.1, 95% CI: 9.5, 20.8; LR- = 0.20, 95%CI: 0.13, 0.29); these techniques have the advantage of not requiring exposure to ionising radiation. Conclusion: There is no evidence to support the clinical effectiveness of routine investigation of children with confirmed UTI. Primary research on the effectiveness, in terms of improved patient outcome, of testing at all stages in the investigation of confirmed urinary tract infection is urgently required

How does study quality affect the results of a diagnostic meta-analysis?

Background: The use of systematic literature review to inform evidence based practice in diagnostics is rapidly expanding. Although the primary diagnostic literature is extensive, studies are often of low methodological quality or poorly reported. There has been no rigorously evaluated, evidence based tool to assess the methodological quality of diagnostic studies. The primary objective of this study was to determine the extent to which variations in the quality of primary studies impact the results of a diagnostic meta-analysis and whether this differs with diagnostic test type. A secondary objective was to contribute to the evaluation of QUADAS, an evidence-based tool for the assessment of quality in diagnostic accuracy studies. Methods: This study was conducted as part of large systematic review of tests used in the diagnosis and further investigation of urinary tract infection (UTI) in children. All studies included in this review were assessed using QUADAS, an evidence-based tool for the assessment of quality in systematic reviews of diagnostic accuracy studies. The impact of individual components of QUADAS on a summary measure of diagnostic accuracy was investigated using regression analysis. The review divided the diagnosis and further investigation of UTI into the following three clinical stages: diagnosis of UTI, localisation of infection, and further investigation of the UTI. Each stage used different types of diagnostic test, which were considered to involve different quality concerns. Results: Many of the studies included in our review were poorly reported. The proportion of QUADAS items fulfilled was similar for studies in different sections of the review. However, as might be expected, the individual items fulfilled differed between the three clinical stages. Regression analysis found that different items showed a strong association with test performance for the different tests evaluated. These differences were observed both within and between the three clinical stages assessed by the review. The results of regression analyses were also affected by whether or not a weighting (by sample size) was applied. Our analysis was severely limited by the completeness of reporting and the differences between the index tests evaluated and the reference standards used to confirm diagnoses in the primary studies. Few tests were evaluated by sufficient studies to allow meaningful use of meta-analytic pooling and investigation of heterogeneity. This meant that further analysis to investigate heterogeneity could only be undertaken using a subset of studies, and that the findings are open to various interpretations. Conclusion: Further work is needed to investigate the influence of methodological quality on the results of diagnostic meta-analyses. Large data sets of well-reported primary studies are needed to address this question. Without significant improvements in the completeness of reporting of primary studies, progress in this area will be limited