Publications by authors named "Bornes C"

Article Synopsis
  • The high computational cost of calculations limits the experimental characterization of Al siting and pairing in sodium-form aluminosilicate zeolites, leading to uncertainty in results from short simulations.
  • To address this, neural network potentials (NNPs) allow for extensive exploration of Al/Na arrangements and Si/Al ratios while maintaining accuracy, revealing significant insights about Na NMR spectra in dehydrated high-silica CHA zeolite.
  • A predictive model for the Na chemical shift was developed, which simplifies the simulation process, captures dynamic effects often missed in computational studies, and can be adapted to other zeolite frameworks.
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Nanoscale flows of liquids can be revealed in various biological processes and underlie a wide range of nanofluidic applications. Though the integral characteristics of these systems, such as permeability and effective diffusion coefficient, can be measured in experiments, the behaviour of the flows within nanochannels is still a matter of speculation. Herein, we used a combination of quadrupolar solid-state NMR spectroscopy, computer simulation, and dynamic vapour sorption measurements to analyse water diffusion inside peptide nanochannels.

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COMMON PHYSICAL HEALTH PROBLEMS IN PSYCHIATRY. Somatic psychiatric care is particularly important as life expectancy declines of 13 to 16 years among individuals with severe mental disorders, primaly due to cardiovascular and cancer-related diseases. They face a triple burden: their mental disorders, reduced life expectancy and limited healthcare access.

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Objective: Constipation is more common in patients with mental disorders than in the general population. However, its frequency in hospitalized patients, its association with drugs and how teams become aware of it and take care of it are not fully identified.

Method: The retrospective study included 141 male and 127 female new patients admitted for routine treatment at France's largest psychiatric hospital between November 15 and December 11, 2017.

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Introduction: The somatic problems of people living with mental illness have long been neglected. This can be explained by factors related to the illness itself, to socio-environmental determinants, but also to the organization of the health system. In France, a number of measures have been taken to improve the links between general medicine and psychiatry, with a view to providing comprehensive care.

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The identification of acid and nonacid species at the external surface of zeolites remains a major challenge, in contrast to the extensively-studied internal acid sites. Here, it is shown that the synthesis of zeolite ZSM-5 samples with distinct particle sizes, combined with solid-state NMR and computational studies of trimethylphosphine oxide (TMPO) adsorption, provides insight into the chemical species on the external surface of the zeolite crystals. H- P HETCOR NMR spectra of TMPO-loaded zeolites exhibit a broad correlation peak at δ ∼35-55 ppm and δ ∼5-12 ppm assigned to external SiOH species.

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ITQ-13 is a medium-pore zeolite that can be prepared in all-silica form and as silicogermanate with Si/Ge ratios as low as 3. Usually synthesised in the presence of fluoride, ITQ-13 is among the very few systems containing fluoride anions in two distinct cage types, cube-like d4r units and [4 ⋅ 5 ] cages. Here, dispersion-corrected density functional theory (DFT) calculations are used to investigate the energetically most favourable Ge distributions for Si/Ge ratios between 55 and 6.

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Elucidating the nature, strength, and siting of acid sites in zeolites is fundamental to fathom their reactivity and catalytic behavior. Despite decades of research, this endeavor remains a major challenge. Trimethylphosphine oxide (TMPO) has been proposed as a reliable probe molecule to study the acid properties of solid acid catalysts, allowing the identification of distinct Brønsted and Lewis acid sites and the assessment of Brønsted acid strengths.

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Two-dimensional 1H-31P heteronuclear correlation NMR of trimethylphosphine oxide (TMPO) adsorbed in zeolites, in tandem with DFT calculations, challenges previous one-dimensional 31P NMR assignments, enabling the unambiguous discrimination of Brønsted and Lewis acid sites, extending the understanding of TMPO:Brønsted complexes formed with distinct stoichiometries at the HZSM-5 zeolite surface, and the proton-transfer mechanism.

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The sales and prescription of antibacterials for use in Norwegian fish-farming according to diagnosis, fish species and production stage from 2011 to 2016 are analysed. The study is based on antibacterial sales data from wholesalers, pharmacies and feed mills and on prescription data obtained from a register of all prescriptions of antibacterials used in farmed fish. The results show that the fish-farming industry uses very small volumes of antibacterials.

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Cadmium, lead, copper and zinc were determined in the soft tissues of blue mussels (Mytilus edulis) sampled from four locations along the Hardangerfjord in western Norway. A source of pollution is located at the head of the fjord and the sampling was performed at various distances from this source. The results obtained in this study (1998) were compared with results from similar studies carried out in 1983 and 1992.

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73 cases of tinea capitis were observed in the "Hôpital des Enfants" in Bordeaux during these last five year. 71 children under 14 years of age and only 2 adults have seen. The dermatophytic spectrum transformation noticed in other parts of Western Europe is also encountered in Bordeaux.

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