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Manganese (Mn) substitution is a widely explored strategy aimed at sustainably enhancing the energy density of iron (Fe)-based electrode materials by taking advantage of the higher redox potential of the former. However, excessive Mn content can lead to detrimental effects, offsetting the expected improvements. In experimental studies, triphylite NaFe0.8Mn0.2PO4has been identified as an optimal composition with enhanced electrochemical performance compared to that of its parent phase NaFePO4. Higher Mn contents result in a loss of capacity and increased voltage hysteresis. In this study, density functional theory (DFT) calculations were employed to investigate the phase stability upon desodiation of Mn-poor and -rich NaxFe1–yMnyPO4compositions. Our findings reveal distinct stability behaviors in antagonistic systems NaxFe0.75Mn0.25PO4and NaxFe0.25Mn0.75PO4, where the presence of Na-vacancies and charge orderings appear to influence phase stability. In addition, the number of intermediate phases throughout the desodiation process is identified as a crucial factor in buffering the volume changes. This work sheds light on the superior electrochemical performance of lightly Mn-substituted phases and unveils a key parameter for designing future electrode materials with improved performance.

The removal of organic particulate matter, predominantly phytoplankton, in eutrophic coastal seas and estuaries is considered an ecosystem service performed by large bivalve assemblages. Mussel farming has been proposed as a measure to mitigate eutrophication, as filtration directly reduces the concentration of chlorophyll a(Chl a), a primary ecological indicator. Seston depletion is typically assessed by in situ investigation, which generally lacks spatiotemporal coverage of features relative to greater ecosystem dynamics. To assess the scale and structure of this service, the present study couples multiple measurement approaches, including moored stations, synoptic transect surveys, flow cytometry, a preliminary drone survey technique, and satellite remote sensing within and around a large mussel farm. Significant depletion patterns were observed with all methods, and mixing gradients could be detected hundreds of meters beyond the farm, with repeatable patterns but distinct findings between methods. The intensity of the depletion signal was correlated with mussel biomass loads, ambient conditions, and hydrodynamic regimes, ranging from 5% to 91% relative Chl adepletion and Secchi depth increases of up to 2 m. Changes in particle size distributions were impacted in all downstream areas, as well as phytoplankton diversity. Observed depletion gradients with satellite imagery were consistent with other measurements and can be used to complement in situ field measurements. The findings of this study, will inform carrying capacity assessments, farm configuration, and development of impact assessment programs on seston removal for bivalve aquaculture.

BackgroundMaternal problems in the postpartum period may lead to suboptimal long-term health for women and could affect mother–child attachment. Social disadvantage is a risk factor for preterm birth, which carries its own burden of health issues and stress. The main aim of this study was to investigate the role for social factors in mothers’ physical and emotional health-related quality of life (HRQoL) at 1 year after a preterm birth.MethodsEPIPAGE-2 is a French nationwide, prospective, population-based cohort of preterm children born before 35 weeks’ gestation (N=3614 women). At birth, detailed data on the family’s social status were collected. At 1 year after birth, mothers completed a mailed questionnaire to report information on their HRQoL, assessed by the Medical Outcomes Study 12-item Short Form. We used multivariate linear regression models to assess the association between social factors and maternal HRQoL.ResultsAt 1 year after childbirth, the emotional HRQoL of mothers of preterm children was worse than their physical HRQoL, even in women without any previous signs of psychological distress at the infant’s discharge from hospital. Baseline social characteristics were the most important factors influencing the physical component of HRQoL. None of the studied social factors had any clear association with the mental component of HRQoL.ConclusionOur study underlines the importance of social disadvantage during pregnancy as risk factors for poor physical HRQoL at 1 year after a preterm birth.

Information and communication technologies (ICTs) are omnipresent and define the interactions in society. Within society, there are vulnerable groups of people for whom ICT use is more challenging. Disabled people are the most vulnerable ICT users. To identify the digital divides of access and impact of ICT on disabled users, an exploratory qualitative study was conducted. Relying on a French national association for disability that grants unique access to disabled ICT users, two focus groups and 10 in-depth interviews were carried. The study allows to propose a model of ICT use and effects for disabled people, integrating several types of disabilities. The results show that ICT appropriation by disabled users depends on their perceived self-efficacy in ICT. ICT use can lead to negative effects, including social exclusion and low perceived normalcy. To address societal interests and develop the literature, a research agenda is proposed.

Employing high-voltage Ni-rich cathodes in Li metal batteries (LMBs) requires stabilization of the electrode/electrolyte interfaces at both electrodes. A stable solid–electrolyte interphase (SEI) and suppression of active material pulverization remain the greatest challenges to achieving efficient long-term cycling. Herein, studies of NMC622 (1 mAh cm–2) cathodes were performed using highly concentrated N-methyl-N-propylpyrrolidinium bis(fluorosulfonyl)imide (C3mpyrFSI) 50 mol % lithium bis(fluorosulfonyl)imide (LiFSI) ionic liquid electrolyte (ILE). The resulting SEI formed at the cathode enabled promising cycling performance (98.13% capacity retention after 100 cycles), and a low degree of ion mixing and lattice expansion was observed, even at an elevated temperature of 50 °C. Fitting of acquired impedance spectra indicated that the SEI resistivity (RSEI) had a low and stable contribution to the internal resistivity of the system, whereas active material pulverization and secondary grain isolation significantly increased the charge transfer resistance (RCT) throughout cycling.

Dredging for wild mussels Mytilus edulis Linnaeus, 1758 takes place in the marine protected areas (Natura 2000 sites) in Denmark. The fishery is strictly regulated to limit the impact of dredging to the benthic environment, and requires the use of modified lightweight mussel dredges. Nevertheless, the depletion of the benthic macrofauna associated with M. edulis beds after impact from such dredges is yet to be quantified. Here, dredging is shown to result in a significant decline in the density, species richness, and biological traits directly in the dredge track but no significant impact on the community composition. Species richness remained significantly affected 4 mo post dredging, although the positive trend after 4 mo may signal recovery. An effect of dredging was also detected in areas adjacent (approximately 5 m) to the dredge tracks, but needs further investigation to understand this impact. The results provide an estimate of benthic macrofaunal depletion in the dredge track as well as of the short-term recovery, which may be of use in the management of the fishery. Finally, it is suggested that species richness may be a more sensitive indicator than density in a eutrophic and species-poor system. [ABSTRACT FROM AUTHOR]

Volcanic eruptions shape Earth’s surface and provide a window into deep Earth processes. How the primary asthenospheric melts form, pond and ascend through the lithosphere is, however, still poorly understood. Since 10 May 2018, magmatic activity has occurred offshore eastern Mayotte (North Mozambique channel), associated with large surface displacements, very-low-frequency earthquakes and exceptionally deep earthquake swarms. Here we present geophysical and marine data from the MAYOBS1 cruise, which reveal that by May 2019, this activity formed an 820-m-tall, ~5 km³ volcanic edifice on the seafloor. This is the largest active submarine eruption ever documented. Seismic and deformation data indicate that deep (>55 km depth) magma reservoirs were rapidly drained through dykes that intruded the entire lithosphere and that pre-existing subvertical faults in the mantle were reactivated beneath an ancient caldera structure. We locate the new volcanic edifice at the tip of a 50-km-long ridge composed of many other recent edifices and lava flows. This volcanic ridge is an extensional feature inside a wide transtensional boundary that transfers strain between the East African and Madagascar rifts. We propose that the massive eruption originated from hot asthenosphere at the base of a thick, old, damaged lithosphere.

The objective of our study was to investigate differences in the management of men and women treated for hypertension while considering the gender of their physicians. We used the data from the cross-sectional Paris Prevention in General Practice survey, where 59 randomly recruited general practitioners (42 men and 19 women) from the Paris metropolitan area enroled every patient aged 25–79 years taking antihypertensive medication and seen during a 2-week period (520 men and 666 women) in 2005–6. The presence in the medical files of six items recommended for hypertension management (blood pressure measurement, smoking status, cholesterol, creatinine, fasting blood glucose and electrocardiogram) was analysed with mixed models with random intercepts and adjusted for patient and physician characteristics. We found that the presence of all items was lower in the records of female than male patients (3.9 vs. 6.9%, p= 0.01), as was the percentage of items present (58.5 vs. 64.2%, p= 0.003). The latter gender difference was substantially more marked when the physician was a man (69.3 vs. 63.4%, p= 0.0002) rather than a woman (63.5 vs. 61.0%, p= 0.46). Although all guidelines recommend the same management for both genders, the practices of male physicians in hypertension management appear to differ according to patient gender although those of women doctors do not. Male physicians must be made aware of how their gender influences their practices.

Kinetic aqueous or buffer solubility is important parameter measuring suitability of compounds for high throughput assays in early drug discovery while thermodynamic solubility is reserved for later stages of drug discovery and development. Kinetic solubility is also considered to have low inter‐laboratory reproducibility because of its sensitivity to protocol parameters [1]. Presumably, this is why little efforts have been put to build QSPR models for kinetic in comparison to thermodynamic aqueous solubility. Here, we investigate the reproducibility and modelability of kinetic solubility assays. We first analyzed the relationship between kinetic and thermodynamic solubility data, and then examined the consistency of data from different kinetic assays. In this contribution, we report differences between kinetic and thermodynamic solubility data that are consistent with those reported by others [1, 2] and good agreement between data from different kinetic solubility campaigns in contrast to general expectations. The latter is confirmed by achieving high performing QSPR models trained on merged kinetic solubility datasets. The poor performance of QSPR model trained on thermodynamic solubility when applied to kinetic solubility dataset reinforces the conclusion that kinetic and thermodynamic solubilities do not correlate: one cannot be used as an ersatz for the other. This encourages for building predictive models for kinetic solubility. The kinetic solubility QSPR model developed in this study is freely accessible through the Predictor web service of the Laboratory of Chemoinformatics (https://chematlas.chimie.unistra.fr/cgi‐bin/predictor2.cgi). This contribution presents a new publicly available dataset of kinetic solubility for 56k compounds, a comparison of kinetic and thermodynamic measurements and new publicly available QSPR models.

Land-based management has reduced nutrient discharges; however, many coastal waterbodies remain impaired. Oyster “bioextraction” of nutrients and how oyster aquaculture might complement existing management measures in urban estuaries was examined in Long Island Sound, Connecticut. Eutrophication status, nutrient removal, and ecosystem service values were estimated using eutrophication, circulation, local- and ecosystem-scale models, and an avoided-costs valuation. System-scale modeling estimated that 1.31% and 2.68% of incoming nutrients could be removed by current and expanded production, respectively. Up-scaled local-scale results were similar to system-scale results, suggesting that this up-scaling method could be useful in bodies of water without circulation models. The value of removed nitrogen was estimated using alternative management costs (e.g., wastewater treatment) as representative, showing ecosystem service values of $8.5 and $470 million per year for current and maximum expanded production, respectively. These estimates are conservative; removal by clams in Connecticut, oysters and clams in New York, and denitrification are not included. Optimistically, the calculation of oyster-associated removal from all leases in both states (5% of bottom area) plus denitrification losses showed increases to 10%–30% of annual inputs, which would be higher if clams were included. Results are specific to Long Island Sound, but the approach is transferable to other urban estuaries.

To investigate risk factors of total, spontaneous and induced preterm birth in 2010 and differences between 1995 and 2010.

Évaluer l’impact du dispositif d’accompagnement Projet régional expérimental d’accompagnement à la nutrition et allaitement chez les femmes en situation de précarité (PRENAP) 75 sur la durée d’hospitalisation dans le post-partum et sur le mode d’alimentation pour les femmes enceintes en situation de précarité.

Having same-sex partners is linked to poor psychological health and increased risk of suicide attempt. This link seems to be stronger for men than women. However, in France, there have been few studies of population samples, and the size of these studies does not always allow an in-depth analysis of these associations.

To investigate risk factors of total, spontaneous and induced preterm birth in 2010 and differences between 1995 and 2010.

One of the main technological challenges oxide-based solid-state batteries face today is the densification of their components to reach good interfacial contact. The most common approach requires co-sintering of the different components (electroactive material, catholyte and conducting additive) at high temperatures which often results in the inter-diffusion of elements that deteriorate the overall cathode performance. In this work, the impact of different carbon grades in the thermal response of LATP-NMC622-Carbon electrodes is evaluated and shown to significantly influence the chemical compatibility between components. By means of a combination of bulk and surface characterization techniques including gas adsorption, X-ray diffraction, X-ray absorption spectroscopy, X-ray photoelectron spectroscopy, Raman spectroscopy and thermogravimetric analysis, it is shown that carbons with low surface area are more adequate as result in higher oxidation temperatures and hence are less reactive.

Despite an improvement in preventive care and perinatal health in previous decades, social inequalities persist, particularly to the disadvantage of isolated or unemployed women.

The functional properties of G protein-coupled receptors (GPCRs) are intimately associated with the different components in their cellular environment. Among them, sodium ions have been proposed to play a substantial role as endogenous allosteric modulators of GPCR-mediated signaling. However, this sodium effect and the underlying mechanisms are still unclear for most GPCRs. Here, we identified sodium as a negative allosteric modulator of the ghrelin receptor GHSR. Combining 23Na-NMR, molecular dynamics and mutagenesis, we provide evidence that, in GHSR, sodium binds to the allosteric site conserved in class-A GPCRs. We further leveraged spectroscopic and functional assays to show that sodium binding shifts the conformational equilibrium towards the GHSR inactive ensemble, thereby decreasing basal and agonist-induced receptor-catalyzed G protein activation. All together, these data point to sodium as an allosteric modulator of GHSR, making this ion an integral component of the ghrelin signaling machinery.

Cholesterol binding to G protein-coupled receptors (GPCRs) and modulation of their activities in membranes is a fundamental issue for understanding their function. Despite the identification of cholesterol binding sites in high-resolution x-ray structures of the β2adrenergic receptor (β2AR) and other GPCRs, the binding affinity of cholesterol for this receptor and exchange rates between the free and bound cholesterol remain unknown. In this study we report the existence of two classes of cholesterol binding sites in β2AR. By analyzing the β2AR unfolding temperature in lipidic cubic phase (LCP) as a function of cholesterol concentration we observed high-affinity cooperative binding of cholesterol with sub-nM affinity constant. In contrast, saturation transfer difference (STD) NMR experiments revealed the existence of a second class of cholesterol binding sites, in fast exchange on the STD NMR timescale. Titration of the STD signal as a function of cholesterol concentration provided a lower limit of 100 mM for their dissociation constant. However, these binding sites are specific for both cholesterol and β2AR, as shown with control experiments using ergosterol and a control membrane protein (KpOmpA). We postulate that this specificity is mediated by the high-affinity bound cholesterol molecules and propose the formation of transient cholesterol clusters around the high-affinity binding sites.

Objective.To determine the effect of hyaluronic acid (HA) on proteolytic enzymes and bone remodeling mediators induced by interleukin 1β (IL-1β) and related to cartilage catabolism in murine osteoblasts.Methods.Osteoblasts were obtained from Swiss mice and cultured for 3 weeks. HA-treated osteoblasts were incubated with 100 μg/ml HA during the last week of culture, then stimulated with IL-1β (10 ng/ml) for 24 h. The expression of matrix metalloproteinases 3 and 13 (MMP-3 and MMP-13), ADAMTS-4 and ADAMTS-5, tissue inhibitor of metalloproteinases (TIMP), osteoprotegerin, and receptor activator of nuclear factor-κB ligand (RANKL) was determined by real-time polymerase chain reaction. MMP-3 and MMP-13 release was assessed by Western blot analysis.Results.IL-1β increased the mRNA levels of MMP-3 and MMP-13 and ADAMTS-4 and ADAMTS-5 and release of MMP-3 and MMP-13. Seven days of HA treatment significantly prevented the IL-1β-increased mRNA levels of MMP-3 (−61%, p < 0.01), MMP-13 (−56%, p < 0.01), ADAMTS-4 (−58%, p < 0.05), ADAMTS-5 (−52%, p < 0.01), and RANKL (−49%, p < 0.05), but not TIMP. As well, IL-1β-induced production of MMP-3 and MMP-13 was inhibited, by 27% (p < 0.01) and 40% (p < 0.01), respectively.Conclusion.In an inflammatory context in murine osteoblasts, HA can inhibit the expression of MMP and ADAMTS. Because HA can counteract the production of these mediators in chondrocytes, its beneficial effect in osteoarthritis may be due to its action on cartilage and subchondral bone.

A new solid-state NMR-based strategy is established for the precise and efficient analysis of orientation and dynamics of transmembrane peptides in fluid bilayers. For this purpose, several dynamically averaged anisotropic constraints, including 13C and 15N chemical shift anisotropies and 13C-15N dipolar couplings, were determined from two different triple-isotope-labeled WALP23 peptides (2H, 13C, and 15N) and combined with previously published quadrupolar splittings of the same peptide. Chemical shift anisotropy tensor orientations were determined with quantum chemistry. The complete set of experimental constraints was analyzed using a generalized, four-parameter dynamic model of the peptide motion, including tilt and rotation angle and two associated order parameters. A tilt angle of 21° was determined for WALP23 in dimyristoylphosphatidylcholine, which is much larger than the tilt angle of 5.5° previously determined from 2H NMR experiments. This approach provided a realistic value for the tilt angle of WALP23 peptide in the presence of hydrophobic mismatch, and can be applied to any transmembrane helical peptide. The influence of the experimental data set on the solution space is discussed, as are potential sources of error.

Abstract: This work presents equilibrium and dynamic aspects for the adsorption at the oil–water interface of pea (Pisum sativum L.) protein isolate (PPI). Dynamic interfacial tension, γ, and surface viscoelasticity modulus, ε, were determined using pendant-drop method. Adsorption kinetics studies revealed that pea proteins adsorb faster at pH 7.0 than at acidic pH (pH 2.4). On the other hand, the measured ε is lower at pH 7.0. This is probably due to fast adsorption, leading to the formation of inhomogeneous film structures. In fact, compared with pHs above the isoelectric point (pI ~ 4.3), acidic conditions slow down the adsorption, but the modulus is increased. Pea-protein-stabilized emulsions are more stable to creaming at acidic pH and their particle-size distributions are more homogeneous in these conditions. Effect of pH on interfacial properties and on properties of oil-in-water emulsions stabilized by PPI was interpreted in terms of pea protein solubility, globulin dissociation, and oil-droplet surface electrostatic charge. We propose that at acidic conditions, adsorbed dissociated globulins form stronger and denser viscoelastic networks when adsorbed at oil–water interface. Consequently, the pH-dependence of pea-globulin-stabilized emulsions properties could be of great interest to tune barrier properties of oil/water interfacial membranes for several applications such as encapsulation and controlled release of lipophilic bioactive components within the food, medical, and pharmaceutical industries.

In this controlled before-and-after study involving 19 departments in a university-affiliated hospital, a single 1-hour educational session delivered by an infectious diseases physician reduced the use of inappropriate antibiotic therapy for inpatients with positive urine culture Results. Further study is warranted to assess the long-term effect of this intervention.