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Organic diradicals are highly promising candidates as future components in molecular electronic and spintronic devices because of their low spin–orbit coupling. To advance toward final circuit realizations, a thorough knowledge of the behavior of diradicals within a single-molecule junction framework is imperative. In this work, we have measured for the first time the single-molecule conductance of a neutral open-shell diradical compound, a [2,1-b] isomer of indenofluorene (IF). Our results reveal that the conductance of the [2,1-b] isomer is about 1 order of magnitude higher than that of the corresponding closed-shell regioisomer [1,2-b] IF. This is significant, as it fundamentally demonstrates the possibility of forming stable single-molecule junctions using neutral diradical compounds which are also highly conducting. This opens up a new approach to the development of externally addressable spintronic devices operable at room temperature.

Drug–target interactions (DTIs) prediction algorithms are used at various stages of the drug discovery process. In this context, specific problems such as deorphanization of a new therapeutic target or target identification of a drug candidate arising from phenotypic screens require large-scale predictions across the protein and molecule spaces. DTI prediction heavily relies on supervised learning algorithms that use known DTIs to learn associations between molecule and protein features, allowing for the prediction of new interactions based on learned patterns. The algorithms must be broadly applicable to enable reliable predictions, even in regions of the protein or molecule spaces where data may be scarce. In this paper, we address two key challenges to fulfill these goals: building large, high-quality training datasets and designing prediction methods that can scale, in order to be trained on such large datasets. First, we introduce LCIdb, a curated, large-sized dataset of DTIs, offering extensive coverage of both the molecule and druggable protein spaces. Notably, LCIdb contains a much higher number of molecules than publicly available benchmarks, expanding coverage of the molecule space. Second, we propose Komet (Kronecker Optimized METhod), a DTI prediction pipeline designed for scalability without compromising performance. Komet leverages a three-step framework, incorporating efficient computation choices tailored for large datasets and involving the Nyström approximation. Specifically, Komet employs a Kronecker interaction module for (molecule, protein) pairs, which efficiently captures determinants in DTIs, and whose structure allows for reduced computational complexity and quasi-Newton optimization, ensuring that the model can handle large training sets, without compromising on performance. Our method is implemented in open-source software, leveraging GPU parallel computation for efficiency. We demonstrate the interest of our pipeline on various datasets, showing that Komet displays superior scalability and prediction performance compared to state-of-the-art deep learning approaches. Additionally, we illustrate the generalization properties of Komet by showing its performance on an external dataset, and on the publicly available LHbenchmark designed for scaffold hopping problems. Komet is available open source at https://komet.readthedocs.ioand all datasets, including LCIdb, can be found at https://zenodo.org/records/10731712.

La survenue de fractures chez l’enfant non déambulant est une situation qui met les praticiens de terrain en grande difficulté. L’étiologie de ces lésions est avant tout traumatique. En dehors de la période néonatale et des classiques fractures de clavicules en lien avec la naissance et en l’absence de traumatisme plausible évident, un traumatisme infligé doit être évoqué jusqu’à preuve du contraire. Une hospitalisation en urgence s’impose dans le but de diagnostiquer des lésions profondes associées et d’éliminer les diagnostics différentiels dont les maladies osseuses constitutionnelles. Au cours de ce temps d’hospitalisation, la réponse aux besoins des nourrissons sera évaluée par les unités d’accueil pédiatriques enfants en danger (UAPED). En cas de danger suspecté chez un nourrisson non déambulant, une information préoccupante ou un signalement judiciaire sera adressé(e) aux autorités compétentes.

Contrary to what one could have deduced from art. 2 and 17 of the Déclaration des droits de l’homme et du citoyen, where property had been elevated as a natural right, imprescriptible, inviolable, and sacred, and art. 537 and 544 of the Code civil, where the owners had been given the right to use in the most absolute way and dispose freely of their property, neither the Revolutionary nor the Napoleonic lawmakers thought of the right of disposing freely of one’s property upon death as self-evident. Although there had been a long tradition of testamentary succession in the South of France, the right to dispose freely of one’s properties by testament led to tensions as to its articulation with the pro-intestate customs of the Northern provinces – in 1789–1804 French private law(s) had indeed not yet been unified and the unification process had given rise to several rearguard arguments in favour of local idiosyncrasies –, but most importantly, it led to tensions as to its articulation with the institution of family, one of the pillars, along with property, of the new social order that had emerged from the ruins of the Ancien Régime: the bourgeois society.

Understanding volcanic eruption triggers is critical toward anticipating future activity. While internal magma dynamics typically receive more attention, the influence of external processes remains less understood. In this context, we explore the relationship between seasonal snow cycles and eruptive activity at Ruapehu, New Zealand. This is motivated by apparent seasonality in the eruptive record, where a higher than expected proportion of eruptions (post‐1960) occur in spring (including the two previous eruptions of 2006 and 2007). Employing recent advancements in passive seismic interferometry, we compute sub‐surface seismic velocity changes between 2005 and 2009 using the cross‐wavelet transform approach. Stations on the volcano record a higher velocity in winter, closely correlated with the presence of snow. Inverting for depth suggests these changes occur within the upper 300 m. Notably, we observe that the timing of the previous two eruptions coincides with a period associated with an earlier velocity decrease at approximately 200–300 m depth relative to the surface. Reduced water infiltration (as precipitation falls as snow) is considered a likely control of seasonal velocities, while modeling also points to a contribution from snow‐loading. We hypothesize that this latter process may play a role toward explaining seasonality in the eruptive record. Our findings shed light on the complex interactions between volcanoes and external environmental processes, highlighting the need for more focused research in this area. Pursuing this line of inquiry has significant implications toward improved risk and hazard assessments at not just Ruapehu, but also other volcanoes globally that experience seasonal snow cover. Understanding what triggers volcanic eruptions is crucial for anticipating future activity. Previous studies often focus on processes occurring within the volcano; for example, movements of magma. However, there is an increasing need to understand how external, environmental, processes interact with volcanoes. This is apparent at Ruapehu volcano in New Zealand, where we find evidence that more eruptions occur in spring relative to other seasons. To further explore this, we measure small changes in the speed of seismic waves traveling in the vicinity of the volcano. This provides information on processes occurring beneath the surface, with the wave speed (velocity) sensitive to subtle changes in the rock they pass through. Our findings indicate that the presence of seasonal snow is the main driver of near‐surface velocity changes. This occurs as rain falls as snow during winter, and also through compaction under the weight of a snow layer. We hypothesize that small variations in subsurface pressures—through the addition and subsequent removal of a seasonal snow layer—may be responsible for increased spring‐time activity. This line of inquiry requires further exploration, with significant implications for risk and hazard assessment at volcanoes globally that experience seasonal snow cover. Evidence of preferential timing in eruption chronology at Ruapehu, with higher than expected proportion of eruptions in springSeismic velocities computed via coda‐wave interferometry, using cross‐wavelet transform approach to better handle variable tremorGroundwater changes and snow‐loading influence seasonal velocities, with the latter possibly a mechanism to trigger gas‐driven eruptions Evidence of preferential timing in eruption chronology at Ruapehu, with higher than expected proportion of eruptions in spring Seismic velocities computed via coda‐wave interferometry, using cross‐wavelet transform approach to better handle variable tremor Groundwater changes and snow‐loading influence seasonal velocities, with the latter possibly a mechanism to trigger gas‐driven eruptions

Purpose: To report visual, clinical and radiological outcomes of three patients with fibromuscular dysplasia (FMD) that presented different ocular ischemic events, supported by different multimodal imaging.Methods: A retrospective study including patients who attended a tertiary referral hospital from July 2016 to June 2019 referring acute visual loss and later diagnosed of FMD. Ophthalmological examination included best corrected visual acuity (BCVA), biomicroscopy, fundoscopy, fluorescein angiography (FA), and macular and retinal nerve fiber layer spectral domain optic coherence tomography (SD-OCT). Patients were admitted by the Neurology service, completing the study with blood and cerebrospinal fluid (CSF) test, serology and cultures, cerebral magnetic resonance angiography (angioMRI), and arteriography.Results: Three patients were included; one male and second females. All referred unilateral acute visual loss, with BCVA of counting fingers or hand-motion. Relative afferent pupilar defect was present in all patients. Two patients associated neurological focal signs and one had chronic hypertension. Fundoscopy revealed hemorrhages and exudates in all patients, and the typical sign of “string-of-beads” in one. FA showed dye filling delay and macular and peripheral hypofluorescence. SD-OCT revealed acute and chronic retinal ischemic signs. Blood and CSF tests, serologies and cultures resulted negative. All presented cerebral vascular involvement, objectified in the cerebral angioMRI or arteriography.Conclusions: FMD should be considered in cases with unilateral sudden visual loss associated to neurological focal deficits in young patients. The typical “string-of-beads” image is rare in small arteries such as the retinal vasculature. When suspected, a complete ophthalmological examination and cerebral vascular imaging is essential to confirm the diagnosis.

The epididymis is composed of a pseudostratified epithelium that is comprised of various cell types. Studies have shown that rat basal cells share common properties with adult stem cells and begin to differentiate in vitro in response to fibroblast growth factor and 5α-dihydrotestosterone. The characterization of rat basal cells is therefore necessary to fully understand the role of these cells. The objectives of this study were to assess the ability of single basal cells to develop organoids and to assess their ability to self-renew and differentiate in vitro. We isolated basal cells from the rat epididymis and established three-dimensional cell cultures from the basal and nonbasal cell fractions. Organoids were formed by single adult epididymal basal cells. Organoids were dissociated into single basal cells, which were able to reform new organoids, and were maintained over 10 generations. Long-term culture of organoids revealed that these cells could be differentiated into cells expressing the principal cell markers aquaporin 9 and cystic fibrosis transmembrane conductance regulator. Electron microscopy demonstrated that organoids were composed of several polarized cell types displaying microvilli and the ability to form tight junctions. Additionally, organoids could be formed by basal cells from either the proximal or distal region of the epididymis and are able to secrete clusterin, a protein implicated in the maturation of spermatozoa. These data indicate that rat basal cells can be used to derive epididymal organoids and further support that notion that these may represent a stem cell population in the epididymis.

The article examines municipal solid waste (MSW), specifically organic or food waste (OW), which constitutes between 42 % and 69 % of MSW globally. These wastes contain a high concentration of organic matter, nutrients and moisture, with an easily acidified pH. Its management is crucial due to its environmental impact, generating greenhouse gas emissions and pollution problems.

On Venus, radar observations of the surface have highlighted two categories of craters: bright‐floored, interpreted as pristine, and dark‐floored, interpreted as being partially filled by lava. While volcanic resurfacing occurs within and outside craters in the plains, it seems mainly concentrated within the interior of dark‐floored craters in the crustal plateaus, suggesting that the magma is negatively buoyant there. Indeed, crater unloading may facilitate vertical ascent of a negatively buoyant magma by decompressing the underlying crust. However, the crater topography also generates a shear stress which would tend to horizontalize the vertical propagation of a dyke. We use numerical simulations of magma ascent in an axisymmetric crater stress field to demonstrate that, depending on the crust thickness and the magma‐crust density contrast, a negatively buoyant magma can indeed erupt only in the crater interior while remaining stored in the crust elsewhere. In particular, we identify four different behaviors depending on if and where a magma‐filled crack ascending below a crater reaches the surface. We draw a regime diagram as a function of two characteristic dimensionless numbers. For eruption to occur only in the crater interior requires a crust thinner than 45 km and a limited range of magma‐crust density contrasts, between 40 and 280 kg m−3for crust thicknesses between 20 and 45 km, the permissible range decreasing for increasing crustal thicknesses. These results suggest that the crustal plateaus may not be particularly thick and could be slightly differentiated, but probably not very felsic. The Magellan mission revealed two categories of impact craters at the surface of Venus: the pristine bright‐floored and the dark‐floored craters, which are interpreted as craters partially filled by smooth lava after their formation. In the crustal plateaus of Venus, the magma reaches the surface mainly within craters, suggesting that it is denser than the crust. Because of the crater negative topography, the underlying crust is decompressed relative to its surroundings, which, in turn, facilitates magma ascent below the crater despite its negative buoyancy. We first gather surface observations on a set of craters located in the crustal plateaus of Venus to construct a characteristic fresh crater topography. We then use a model of magma ascent below a crater in the crust of Venus to constrain the magma and crust densities as well as the initial magma storage depth that allow for magma eruption within the crater interior only. We show that magma reaches the surface only in the interior of the crater if the crust is slightly less dense than the magma and if it is not too thick (≤45 km in thickness). We identify four different behaviors for magma‐filled crack propagation below cratersWe draw a behavior diagram as a function of two dimensionless numbers characterizing dyke propagation below a craterMagma infilling of dark‐floored craters in Venus' plateaus requires a crustal thickness ≤45 km and a small crust‐magma density contrast We identify four different behaviors for magma‐filled crack propagation below craters We draw a behavior diagram as a function of two dimensionless numbers characterizing dyke propagation below a crater Magma infilling of dark‐floored craters in Venus' plateaus requires a crustal thickness ≤45 km and a small crust‐magma density contrast

El objetivo es evaluar la eficacia y seguridad de los neuroestimuladores periféricos del ganglio esfenopalatino (GEP) para el tratamiento de la cefalea en racimos crónica refractaria al tratamiento.

Uncovering interesting groups in either multidimensional or network spaces has become an essential mechanism for data exploration and understanding. Decision making requires relevant information as well as high-quality on the retrieved conclusions. We presented a comparative study of two compact representations drawn from the same set of data objects by clustering high-dimensional spaces and low-dimensional Barnes-Hut t-stochastic neighbour embeddings. There is no consensus on how the problem should be addressed and how these representations/models should be analysed because of their different notions. We introduced a measure to compare their results and capability to provide insights into the information retrieved. We considered low-dimensional embeddings as a potentially revealing strategy to uncover dynamics possibly not uncovered in big-data spaces. We demonstrated that a non-guided approach can be as revealing as a user-guided approach for data exploration and presented coherent results for good uncertainty modelling capability in terms of fuzziness and densities.

Inoculation can be used to fight many complex iron defects. Five cases will be developed to illustrate in different metallurgical conditions how beneficial some elements can be to solve specific metallurgical issues.Inoculation solutions to fight chunky graphite in heavy-section castings in SGI: An example of the beneficial use of SB/RE-bearing inoculants associated with 10% Ba-bearing inoculant is given.Inoculation of solid solution-strengthened iron (SSFI): SSFI is well known to be difficult to inoculate, and a correct and consistent graphite shape is not easy to obtain. An efficient “package” has been proposed to a foundry producing SSFI, combining Ba-preconditioning and Bi/RE-bearing inoculation.Inoculation of Ni-resist iron: Ni-resist iron is very sensitive to chunky or degenerated graphite because of the high Ni-amount. Here is shown a case where chunky graphite has been found in a foundry, where the problem has been solved using specific inoculants.Inoculation solutions for vertical centrifugal SG iron: An example of successful association of 10% barium inoculant associated with Bi/RE-bearing inoculation is presented on very-heavy-section rolls. Their effects are beneficial to mechanical properties of the bi-metallic material.Ba-inoculation to modify the slag composition: Slag build-up is a normal phenomenon in the metallurgical process but can, however, be a source of various problems. Here is given an example of use of a high-Ba inoculant facilitating de-slagging operations.

Molybdenum carbides supported on TiO2or ZrO2were prepared by a temperature-programmed reduction–carburization method using mixtures of hydrogen and hydrocarbon (methane or ethane). All of the materials exhibited molybdenum carbide with a cubic crystallographic structure. The carbon content and the MoC lattice parameter increased with the increase of the hydrocarbon percentage (5–40%) and temperature (600–800 °C) during carburization. All catalysts were significantly active in the hydrogenation of succinic acid to butyric acid and γ-butyrolactone. For the first time, a correlation between the degree of carburization and the catalytic activity for succinic acid hydrogenation was established. The selectivity depends strongly on the support. MoC/TiO2favored the formation of butyric acid, while MoC/ZrO2and bulk MoC generated γ-butyrolactone primarily. The stability of MoC/TiO2up to 50 h on stream in a continuous reactor was demonstrated, showing the interest of carbide catalysts for future biorefinery processes.

ABSTRACTPhytoplankton bioindicators were used to assess environmental conditions in urban aquatic systems in a large Canadian city. Sampling was conducted during summers 2010 and 2011 in 20 urban waterbodies on the Island of Montreal (Quebec, Canada). We evaluated 4 indicators: (1) fluorometric estimates of the chlorophyll concentration of the total phytoplankton and of 4 spectral groups, (2) species richness, and (3) biovolumes of taxonomic and (4) functional groups of the microphytoplankton. We assessed how these indicators changed among types of urban waterbodies and determined the limnological features and/or management practices driving their spatial variation. Principal component analysis captured 48% of total environmental heterogeneity, and K-means clustering analyses defined 5 relevant types of waterbodies. Overall, 96 microphytoplankton species (γ diversity) were recorded, and species richness (α diversity) per waterbody varied from 1 to 27. Chlorophyll concentration of the total phytoplankton and the green algae spectral group, as well as the total biovolume of microphytoplankton, dinophytes, and of 2 functional groups (large flagellates, large colonies of green algae, and cyanobacteria) differed among waterbody types. Phytoplankton indicators based on in situ fluorometry and microphytoplankton biovolume of functional and taxonomic groups were fairly coherent and showed potential for monitoring. Implications of our findings are discussed in light of guiding future management practices to sustain biodiversity, ecological integrity, and water quality of urban waterbodies.

A kinetic study and optimization of pine wood peroxide fractionation in the medium acetic acid–water over TiO2catalyst were accomplished for the first time. Kinetic regularities and the product composition of green processes of catalytic peroxide fractionation of softwood (pine, abies, larch) and hardwood (aspen, birch) over 1 wt% TiO2catalyst in the acetic acid–water medium were compared at the temperature range 70–100 °C. For all type of wood, the processes of peroxide delignification are described by the first order equations and their activation energies are varied at the range 76–94 kJ/mol. According to FTIR, XRD, SEM, NMR data, the cellulosic products of peroxide delignification have a structure similar to microcrystalline cellulose regardless of the nature of wood. Soluble products are presented by organic acid and monosaccharides. The scheme of green biorefinery of pine wood based on extractive-catalytic fractionation of wood biomass on microcrystalline cellulose, hemicelluloses, aromatic and aliphatic acids, monosaccharides, turpentine and rosin was developed. Green and non-toxic reagents and solid catalyst are used in the developed scheme of biorefinery.

In the present work, we address the issue of nontargeted screening of organohalogenated chemicals in complex matrixes. A global strategy aiming to seek halogenated signatures in full-scan high-resolution mass spectrometry (HRMS) fingerprints was developed. The resulting all-in-one user-friendly application, HaloSeeker 1.0, was developed to promote the accessibility of associated in-house bioinformatics tools to a large audience. The ergonomic web user interface avoids any interactions with the coding component while allowing interactions with the data, including peak detection (features), deconvolution, and comprehensive accompanying manual review for chemical formula assignment. HaloSeeker 1.0 was successfully applied to a marine sediment HRMS data set acquired on a liquid chromatography–heated electrospray ionization [LC–HESI(−)] Orbitrap instrument (R= 140 000 at m/z200). Among the 4532 detected features, 827 were paired and filtered in 165 polyhalogenated clusters. HaloSeeker was also compared to three similar tools and showed the best performances. HaloSeeker’s ability to filter and investigate halogenated signals was demonstrated and illustrated by a potential homologue series with C12HxBryClzO2as a putative general formula.

Magma propagation is an unsteady process controlled by magma‐crust interaction. To provide information on its dynamics, we invert complementary ground deformation data spanning the 8 hr preceding the 26 May 2016 eruption at Piton de la Fournaise (PdF) volcano (La Réunion, France). Data are inverted using 3‐D boundary element models combined with a Monte Carlo inversion method. The final geometry of the displacement source is determined based on four interferograms spanning the whole propagation phase while the dynamics of the propagation is inferred from temporal inversion of continuous Global Navigation Satellite System (GNSS) data, using the final geometry as an a priori to constrain the source. The best modeled magma path consists in a 2,700‐m‐long sill located 800 m above sea level and connected to the eruptive fissure by a subvertical dike. The quick opening of the horizontal part of the intrusion could have been favored by limited flank sliding during the early stage of propagation. The intrusion then stalled for ∼5 hr, while pressure increased slightly, until final upward propagation and eruption. Volume budget suggests that the eruption was fed by a single batch of magma quickly disconnected from its source. The delay prior to the eruption may reflect a limited magma supply. Finally, two mechanisms, potentially acting together, might have favored the eruption: a driving role of magmatic gas and/or, as often observed at Piton de la Fournaise, an eastward flank slip. Basaltic magma stored beneath volcanoes reaches the surface by fracturing the Earth's crust. As experienced in May 2018 at Kilauea volcano (Hawaii, USA), magma can travel kilometers from the reservoir and fissure opening may threaten man‐made structures. Anticipating where and when eruptive fissures open requires better understanding of the factors controlling magma propagation. During the 26 May 2016 eruption of Piton de la Fournaise, Réunion Island,the preeruptive crisis spanned 8hr25min from the first signal recorded by the observatory to the eruption onset.We determine the magma paths and propagation timing, which led to this eruption using complementary satellite data of ground surface displacement, combining radar interferometry, which provides high spatial resolution, with GPS, which provides high temporal resolution. We highlight complex magma propagation within the subareal volcano, showing two direction changes, an arrest and an acceleration. Flank slip and magma degassing seem to play a key role in controlling both the geometry and the timing. Based on this scenario, this event was close to turn into a failed eruption as there was a 5‐hr pause in propagation before magma finally reached the surface. Understanding such unusual eruptions is a challenge for observatories as it may lead to repeated “false” alerts. Magma feeding the May 2016 eruption propagated laterally as a sill before turning into a dikeThe sill propagation is stepwise with an initial acceleration followed by a 5‐hr pauseThe eruption was fed by a single batch of magma quickly disconnected from its source

Les interventions nutritionnelles utilisant les protéines alimentaires sont largement répandues dans l’obésité, en particulier lors de la restriction énergétique mais aussi en situation d’obésité sarcopénique. L’amélioration des connaissances sur les métabolismes des protéines et des acides aminés permet de mieux définir leur pertinence et leur intérêt en clinique humaine. Par ailleurs, les profils métaboliques spécifiques à l’obésité, illustrés par des modifications de concentrations de divers acides aminés, fournissent des informations précieuses sur l’état métabolique des patients, notamment vis-à-vis de l’insulinorésistance et du risque de développer un diabète de type 2.

En raison de son expansion au cours de l’obésité, le tissu adipeux blanc subit des modifications structurales et fonctionnelles, contribuant à l’élévation du risque de développer un diabète et des maladies cardiovasculaires, et à une mortalité précoce. Cependant, des travaux suggèrent que la qualité nutritionnelle de certains nutriments énergétiques peut moduler la réponse physiologique en situation de balance énergétique positive. En effet, la qualité des acides gras alimentaires peut moduler de nombreuses fonctions biologiques et contribuer à ralentir ou prévenir certaines pathologies. Des études ont mis en évidence l’intérêt des acides gras polyinsaturés oméga-3 pour la santé, en particulier concernant les fonctions du tissu adipeux blanc associées à l’obésité et à ses comorbidités. Cet intérêt est d’autant plus pertinent au vu des modifications des profils des régimes alimentaires en acides gras, qui ont pu contribuer à l’explosion de la prévalence de l’obésité dans les sociétés occidentales. Cet article décrit comment les oméga-3 peuvent influencer l’accumulation et la fonction du tissu adipeux blanc. Pour cela, il s’appuie sur des données observationnelles chez l’homme, des interventions cliniques ou précliniques, ainsi que sur des modèles cellulaires.