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No consensus exists about the techniques to use for microbiological diagnosis of bone and joint infections (BJIs). The objective herein was to define an algorithm to optimize BJI diagnosis in adults using various bacteriological methods on synovial fluid samples. This prospective multi-center study included 423 synovial fluids collected from adult patients with suspected BJIs. Culture (using five solid media, an enrichment broth, and blood culture bottles), universal 16S rRNA PCR followed by Sanger sequencing, and seven specific bacterial PCRs were systematically performed. Combinations of methods were compared to arrive at the optimized algorithm. Among 423 synovial fluids, 242 infections were diagnosed (57.2 %): 213 mono- and 29 poly-microbial for a total of 284 bacteria (staphylococci at 54.6 %, streptococci–enterococci at 16.5 %, Gram-negative bacilli at 15.5 %, anaerobic species at 8.8 %). Comparing culture techniques, blood culture bottles had the highest sensitivity (67.6 % for pediatric and 63.9 % for anaerobic bottles) but are not sufficient alone and require being combined with solid media. The 16S rDNA PCR detected only 52.3 % of the bacteria, whereas specific PCRs had a higher sensitivity (Staphylococcus spp. at 66.2 %, S. aureus at 85.2 %, Streptococcus spp. at 91.2 %). Based on these results, an algorithm was proposed associating three solid media; inoculation into blood culture bottles; and 16S, Staphylococcus spp., and Streptococcus spp. PCRs, which would have detected 90.5 % of bacteria in the present cohort versus 79.2 % using all culture techniques on synovial fluid. This prospective study shows that a combination of culture and molecular methods on synovial fluids allows the optimization of bacterial detection.

Hybrid organic-inorganic perovskites (HOIP) have emerged in recent years as highly promising semiconducting materials for a wide range of optoelectronic and energy applications. Nevertheless, the rotational dynamics of the organic components and many-molecule interdependencies, which may strongly impact the functional properties of HOIP, are not yet fully understood. In this study, we quantitatively analyze the orientational disorder and molecular correlations in archetypal perovskite CH 3 NH 3 PbI 3 (MAPI) by performing comprehensive molecular dynamics simulations and entropy calculations. We found that, in addition to the usual vibrational and orientational contributions, rigid molecular rotations around the C-N axis and correlations between neighboring molecules noticeably contribute to the entropy increment associated with the temperature-induced order-disorder phase transition, Δ S t . Molecular conformational changes are equally infrequent in the low- T ordered and high- T disordered phases and have a null effect on Δ S t . Conversely, the couplings between the angular and vibrational degrees of freedom are substantially reinforced in the high- T disordered phase and significantly counteract the phase-transition entropy increase resulting from other factors. Furthermore, the tendency for neighboring molecules to be orientationally ordered is markedly local, consequently inhibiting the formation of extensive polar nanodomains at both low and high temperatures. This theoretical investigation not only advances the fundamental knowledge of HOIP but also establishes physically insightful connections with contemporary technological applications like photovoltaics, solid-state cooling, and energy storage.

The high-pressure and high-temperature structural, mechanical, and dinamical stability of rhodium has been investigated via synchrotron X-ray diffraction using a resistively heated diamond anvil cell and density functional theory. The isothermal compression data have been fitted with a Rydberg-Vinet equation of state (EoS) with best-fitting parameters V 0 =55.046(16) Å 3 , K 0 = 251(3) GPa, and K 0 ' = 5.7(2). The thermal equation of state has been determined based upon the data collected following four different isotherms and has been fitted to a Holland and Powell thermal equation-of-state model with α 0 = 3.36(7)x10 - 5 K - 1 . The measured equation of state and structural parameters have been compared to the results of ab initio simulations. The agreement between theory and experiments is generally quite good. The present results solve controversies between previous studies which reported values of the bulk modulus from 240 to 300 GPa., (© 2024. The Author(s).)

Solid-state cooling presents an energy-efficient and environmentally friendly alternative to traditional refrigeration technologies that rely on thermodynamic cycles involving greenhouse gases. However, conventional caloric effects face several challenges that impede their practical application in refrigeration devices. First, operational temperature conditions must align closely with zero-field phase-transition points; otherwise, the required driving fields become excessively large. However, phase transitions occur infrequently near room temperature. Additionally, caloric effects typically exhibit strong temperature dependence and are sizable only within relatively narrow temperature ranges. In this Letter, we employ first-principles simulation methods to demonstrate that light-driven phase transitions in polar oxide perovskites have the potential to overcome such limitations. Specifically, for the prototypical ferroelectric KNbO_{3} we illustrate the existence of giant "photocaloric" effects induced by light absorption (ΔS_{PC}∼100  J K^{-1} kg^{-1} and ΔT_{PC}∼10  K) across a vast temperature range of several hundred Kelvin, encompassing room temperature. These findings are expected to be generalizable to other materials exhibiting similar polar behavior.

The increased environmental presence of micro-/nanoplastics (MNPLs) and the potential health risks associated with their exposure classify them as environmental pollutants with special environmental and health concerns. Consequently, there is an urgent need to investigate the potential risks associated with secondary MNPLs. In this context, using "true-to-life" MNPLs, resulting from the laboratory degradation of plastic goods, may be a sound approach. These non-commercial secondary MNPLs must be labeled to track their presence/journeys inside cells or organisms. Because the cell internalization of MNPLs is commonly analyzed using fluorescence techniques, the use of fluorescent dyes may be a sound method to label them. Five different compounds comprising two chemical dyes (Nile Red and Rhodamine-B), one optical brightener (Opticol), and two industrial dyes (Amarillo Luminoso and iDye PolyPink) were tested to determine their potential for such applications. Using commercial standards of polystyrene nanoplastics (PSNPLs) with an average size of 170 nm, different characteristics of the selected dyes such as the absence of impact on cell viability, specificity for plastic staining, no leaching, and lack of interference with other fluorochromes were analyzed. Based on the overall data obtained in the wide battery of assays performed, iDye PolyPink exhibited the most advantages, with respect to the other compounds, and was selected to effectively label "true-to-life" MNPLs. These advantages were confirmed using a proposed protocol, and labeling titanium-doped PETNPLs (obtained from the degradation of milk PET plastic bottles), as an example of "true-to-life" secondary NPLs. These results confirmed the usefulness of iDye PolyPink for labeling MNPLs and detecting cell internalization., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 The Authors. Published by Elsevier B.V. All rights reserved.)

In this multicenter study conducted in France, we challenged the hypothesis of the transmission of pathogens other than Borrelia spp. in 22 patients developing erythema migrans following a tick bite. Using a combination of high-throughput microfluidic PCRs and agnostic metagenomics on skin biopsies and blood samples, no microorganisms other than Borrelia spp. was found., Competing Interests: The authors declare they have no conflicts of interest., (© 2024 The Authors.)

Solid-state methods for cooling and heating promise a sustainable alternative to current compression cycles of greenhouse gases and inefficient fuel-burning heaters. Barocaloric effects (BCE) driven by hydrostatic pressure (p) are especially encouraging in terms of large adiabatic temperature changes (|ΔT| ≈ 10 K) and isothermal entropy changes (|ΔS| ≈ 100 J K -1  kg -1 ). However, BCE typically require large pressure shifts due to irreversibility issues, and sizeable |ΔT| and |ΔS| seldom are realized in a same material. Here, the existence of colossal and reversible BCE in LiCB 11 H 12 is demonstrated near its order-disorder phase transition at ≈380 K. Specifically, for Δp ≈ 0.23 (0.10) GPa, |ΔS rev | = 280 (200) J K -1  kg -1 and |ΔT rev | = 32 (10) K are measured, which individually rival with state-of-the-art BCE figures. Furthermore, pressure shifts of the order of 0.1 GPa yield huge reversible barocaloric strengths of ≈2 J K -1  kg -1  MPa -1 . Molecular dynamics simulations are performed to quantify the role of lattice vibrations, molecular reorientations, and ion diffusion on the disclosed BCE. Interestingly, lattice vibrations are found to contribute the most to |ΔS| while the diffusion of lithium ions, despite adding up only slightly to the entropy change, is crucial in enabling the molecular order-disorder phase transition., (© 2024 The Authors. Advanced Science published by Wiley‐VCH GmbH.)

We present Svetlana (SuperVised sEgmenTation cLAssifier for NapAri), an open-source Napari plugin dedicated to the manual or automatic classification of segmentation results. A few recent software tools have made it possible to automatically segment complex 2D and 3D objects such as cells in biology with unrivaled performance. However, the subsequent analysis of the results is oftentimes inaccessible to non-specialists. The Svetlana plugin aims at going one step further, by allowing end-users to label the segmented objects and to pick, train and run arbitrary neural network classifiers. The resulting network can then be used for the quantitative analysis of biophysical phenoma. We showcase its performance through challenging problems in 2D and 3D and provide a comprehensive discussion on its strengths and limits., (© 2024. The Author(s).)

Dynamical tuning of the thermal conductivity in crystals, κ , is critical for thermal management applications, as well as for energy harvesting and the development of novel phononic devices able to perform logic operations with phonons. Such a desired κ control can be achieved in functional materials that experience large structural and phonon variations as a result of field-induced phase transformations. However, this approach is only practical within reduced temperature intervals containing zero-bias phase transition points, since otherwise the necessary driving fields become excessively large and the materials' performances are detrimentally affected. Here, based on first-principles calculations, we propose an alternative strategy for dynamically tuning κ that is operative over broad temperature conditions and realizable in a wide class of materials. By shining light on the archetypal perovskite oxide KNbO 3 , we predict that ultrafast and reversible ferroelectric-to-paraelectric phase transitions are induced, yielding large and anisotropic κ variations (up to ≈30% at T = 300 K). These light-induced thermal transport shifts can take place at temperatures spanning several hundreds of kelvin and are essentially the result of anharmonic effects affecting the phonon lifetimes.

Despite being fundamental to the understanding of solid-state electrolytes (SSEs), little is known on the degree of coordination between mobile ions in diffusive events, thus hindering a detailed comprehension and possible rational design of SSEs. Here, we introduce an unsupervised k-means clustering approach that is able to identify ion-hopping events and correlations between many mobile ions and apply it to a comprehensive ab initio MD database comprising several families of inorganic SSEs and millions of ionic configurations. It is found that despite two-body interactions between mobile ions being the largest, higher-order n -ion (2 < n ) correlations are most frequent. Specifically, we prove a general exponential decaying law for the probability density function governing the number of concerted mobile ions. For the particular case of Li-based SSEs, it is shown that the average number of correlated mobile ions amounts to 10 ± 5 and that this result is practically independent of the temperature. Interestingly, our data-driven analysis reveals that fast-ionic diffusion strongly and positively correlates with ample hopping lengths and long hopping spans but not with high hopping frequencies and short interstitial residence times. Finally, it is shown that neglection of many-ion correlations generally leads to a modest overestimation of the hopping frequency that roughly is proportional to the average number of correlated mobile ions.

Colloidal quantum dots with lower surface ligand density are desired for preparing the active layer for photovoltaic, lighting, and other potential optoelectronic applications. In emerging perovskite quantum dots (PQDs), the diffusion of cations is thought to have a high energy barrier, relative to that of halide anions. Herein, we investigate the fast cross cation exchange approach in colloidal lead triiodide PQDs containing methylammonium (MA + ) and formamidinium (FA + ) organic cations, which exhibits a significantly lower exchange barrier than inorganic cesium (Cs + )-FA + and Cs + -MA + systems. First-principles calculations further suggest that the fast internal cation diffusion arises due to a lowering in structural distortions and the consequent decline in attractive cation-cation and cation-anion interactions in the presence of organic cation vacancies in mixed MA + -FA + PQDs. Combining both experimental and theoretical evidence, we propose a vacancy-assisted exchange model to understand the impact of structural features and intermolecular interaction in PQDs with fewer surface ligands. Finally, for a realistic outcome, the as-prepared mixed-cation PQDs display better photostability and can be directly applied for one-step coated photovoltaic and photodetector devices, achieving a high photovoltaic efficiency of 15.05% using MA 0.5 FA 0.5 PbI 3 PQDs and more precisely tunable detective spectral response from visible to near-infrared regions.

Cathode degradation of Li-ion batteries (Li + ) continues to be a crucial issue for higher energy density. A main cause of this degradation is strain due to stress induced by structural changes according to the state-of-charge (SOC). Moreover, in solid-state batteries, a mismatch between incompatible cathode/electrolyte interfaces also generates a strain effect. In this respect, understanding the effects of the mechanical/elastic phenomena associated with SOC on the cathode performance, such as voltage and Li + diffusion, is essential. In this work, we focused on LiCoO 2 (LCO), a representative LIB cathode material, and investigated the effects of biaxial strain and hydrostatic pressure on its layered structure and Li + transport properties through first-principles calculations. With the nudged elastic band technique and molecular dynamics, we demonstrated that in Li-deficient LCO, compressive biaxial strain increases the Li + diffusivity, whereas tensile biaxial strain and hydrostatic pressure tend to suppress it. Structural parameter analysis revealed the key correlation of "Co layer distances" with Li + diffusion instead of "Li layer distances", as ordinarily expected. Structural analysis further revealed the interplay between the Li-Li Coulomb interaction, SOC, and Li + diffusion in LCO. The activation volume of LCO under hydrostatic pressure was reported for the first time. Moreover, vacancy formation energy calculations showed that the Li intercalation potential could be decreased under compressive biaxial strain due to the weakening of the Li-O bond interaction. The present findings may serve to improve the control of the energy density performance of layered cathode materials.

Metal clusters supported on TiO 2 are widely used in many photocatalytic applications, including pollution control and production of solar fuels. Besides high photoactivity, stability during the photoreaction is another essential quality of high-performance photocatalysts, however systematic studies on this attribute are absent for metal clusters supported on TiO 2 . Here we have studied, both experimentally and with first-principles simulation methods, the stability of Pt, Pd and Au clusters prepared by ball milling on nanoshaped anatase nanoparticles preferentially exposing {001} (plates) and {101} (bipyramids) facets during the photogeneration of hydrogen. It is found that Pt/TiO 2 exhibits superior stability than Pd/TiO 2 and Au/TiO 2 , and that {001} facet-based photocatalysts always are more stable than their {101} analogous regardless of the considered metal species. The loss of stability associated with cluster sintering, which is facilitated by the transfer of photoexcited carriers from the metal species to the neighbouring Ti and O atoms, most significantly and detrimentally affects the H 2 -evolution photoactivity., (© 2023. Springer Nature Limited.)

Helium, the second most abundant element in the universe, exhibits an extremely large electronic band gap of about 20 eV at ambient pressures. While the metallization pressure of helium has been accurately determined, thus far little attention has been paid to the specific mechanisms driving the band-gap closure and electronic properties of this quantum crystal in the terapascal regime (1 TPa = 10 Mbar). Here, we employ density functional theory and many-body perturbation calculations to fill up this knowledge gap. It is found that prior to reaching metallicity helium becomes an excitonic insulator (EI), an exotic state of matter in which electrostatically bound electron-hole pairs may form spontaneously. Furthermore, we predict metallic helium to be a superconductor with a critical temperature of ≈ 20 K just above its metallization pressure and of ≈ 70 K at 100 TPa. These unforeseen phenomena may be critical for improving our fundamental understanding and modeling of celestial bodies., (© 2023. The Author(s).)

Solid-state cooling applications based on electrocaloric (EC) effects are particularly promising from a technological point of view due to their downsize scalability and natural implementation in circuitry. However, EC effects typically involve materials that contain toxic substances and require relatively large electric fields (∼100-1000 kV cm -1 ) that cause fateful leakage current and dielectric loss problems. Here, we propose a possible solution to these practical issues that consists of concertedly applying hydrostatic pressure and electric fields on lead-free multiferroic materials. We theoretically demonstrate this strategy by performing first-principles simulations on supertetragonal BiFe 1- x Co x O 3 solid solutions (BFCO). It is shown that hydrostatic pressure, besides adjusting the occurrence of EC effects to near room temperature, can reduce enormously the intensity of driving electric fields. For pressurized BFCO, we estimate a colossal room-temperature EC strength, defined as the ratio of the adiabatic EC temperature change by an applied electric field, of ∼1 K cm kV -1 , a value that is several orders of magnitude larger than those routinely measured in uncompressed ferroelectrics.

Solid-state electrolytes (SSEs) with high ion conductivity are pivotal for the development and large-scale adoption of green-energy conversion and storage technologies such as fuel cells, electrocatalysts and solid-state batteries. Yet, SSEs are extremely complex materials for which general rational design principles remain indeterminate. Here, we combine first-principles materials modelling, computational power and modern data analysis techniques to advance towards the solution of such a fundamental and technologically pressing problem. Our data-driven survey reveals that the correlations between ion diffusivity and other materials descriptors in general are monotonic, although not necessarily linear, and largest when the latter are of vibrational nature and explicitly incorporate anharmonic effects. Surprisingly, principal component and k -means clustering analyses show that elastic and vibrational descriptors, rather than the usual ones related to chemical composition and ion mobility, are best suited for reducing the high complexity of SSEs and classifying them into universal classes. Our findings highlight the need for considering databases that incorporate temperature effects to improve our understanding of SSEs and point towards a generalized approach to the design of energy materials.

Introduction: Previous international mass-media campaigns for low back pain (LBP) have had conflicting impacts on the general population. The objective was to evaluate the impact of a national back pain campaign conducted between 2017 and 2019 on beliefs and behaviours of general practitioners and the general population in France., Methods: Between 2017 and 2019, a mass-media campaign was used to disseminate positive messages about LBP using several media, along with a parallel campaign addressed to general practitioners. An email survey before the campaign and 6 and 18 months after the campaign started evaluated beliefs and behaviours among a representative sample of the 2 target populations (3500 people from the general population and 700 general practitioners before the campaign, and 2000 people and 300 general practitioners 6 and 18 months after)., Results: Overall, 56% of the general population respondents before the campaign and 74% and 75% at 6 and 18 months after adhered to the statement "One should maintain physical activity" when dealing with LBP. Conversely, the percentage adhering to the statement "The best treatment is resting" decreased significantly from 68% before the campaign to 45% at 6 and 18 months after. Physicians reported delivering more reassurance and giving more documentation to patients after the campaign. They prescribed less sick leave during the first consultation (65% before the campaign, 46% and 30% at 6 and 18 months after)., Conclusion: A mass-media campaign aimed at the public and general practitioners in France significantly modified beliefs and behaviours about LBP., (Copyright © 2023. Published by Elsevier Masson SAS.)

The mass transport properties along dislocation cores in hcp ^{4}He are revisited by considering two types of edge dislocations as well as a screw dislocation, using a fully correlated quantum simulation approach. Specifically, we employ the zero-temperature path-integral ground state (PIGS) method together with ergodic sampling of the permutation space to investigate the fundamental dislocation core structures and their off-diagonal long-range order properties. It is found that the Bose-Einstein condensate fraction of such defective ^{4}He systems is practically null (≤10^{-6}), just as in the bulk defect-free crystal. These results provide compelling evidence for the absence of intrinsic superfluidity in dislocation cores in hcp ^{4}He and challenge the superfluid dislocation-network interpretation of the mass-flux-experiment observations, calling for further experimental investigation.

The formation of coamorphous mixtures of pharmaceuticals is an interesting strategy to improve the solubility and bioavailability of drugs, while at the same time enhancing the kinetic stability of the resulting binary glass and allowing the simultaneous administration of two active principles. In this contribution, we describe kinetically stable amorphous binary mixtures of two commercial active pharmaceutical ingredients, diazepam and nordazepam, of which the latter, besides being administered as a drug on its own, is also the main active metabolite of the other in the human body. We report the eutectic equilibrium-phase diagram of the binary mixture, which is found to be characterized by an experimental eutectic composition of 0.18 molar fraction of nordazepam, with a eutectic melting point of T e = 395.4 ± 1.2 K. The two compounds are barely miscible in the crystalline phase. The mechanically obtained mixtures were melted and supercooled to study the glass-transition and molecular-relaxation dynamics of amorphous mixtures at the corresponding concentration. The glass-transition temperature was always higher than room temperature and varied linearly with composition. The T e was lower than the onset of thermal decomposition of either compound (pure nordazepam decomposes upon melting and pure diazepam well above its melting point), thus implying that the eutectic liquid and glass can be obtained without any degradation of the drugs. The eutectic glass was kinetically stable against crystallization for at least a few months. The relaxation processes of the amorphous mixtures were studied by dielectric spectroscopy, which provided evidence for a single structural (α) relaxation, a single Johari-Goldstein (β) relaxation, and a ring-inversion conformational relaxation of the diazepinic ring, occurring on the same timescale in both drugs. We further characterized both the binary mixtures and pure compounds by FTIR spectroscopy and first-principles density functional theory (DFT) simulations to analyze intermolecular interactions. The DFT calculations confirm the presence of strong attractive forces within the heteromolecular dimer, leading to large dimer interaction energies of the order of -0.1 eV.

The role of local chemical environments in the electron energy loss spectra of complex multiferroic oxides was studied using computational and experimental techniques. The evolution of the O K-edge across an interface between bismuth ferrite (BFO) and lanthanum strontium manganate (LSMO) was considered through spectral averaging over crystallographically equivalent positions to capture the periodicity of the local O environments. Computational techniques were used to investigate the contribution of individual atomic environments to the overall spectrum, and the role of doping and strain was considered. Chemical variation, even at the low level, was found to have a major impact on the spectral features, whereas strain only induced a small chemical shift to the edge onset energy. Through a combination of these methods, it was possible to explain experimentally observed effects such as spectral flattening near the interface as the combination of spectral responses from multiple local atomic environments., Competing Interests: The authors declare no competing financial interest., (© 2022 The Authors. Published by American Chemical Society.)

Ni-rich layered oxides, such as LiNi 0.8 Co 0.1 Mn 0.1 O 2 (NCM811), are promising cathode materials for high-energy lithium-ion batteries. However, the relatively high reactivity of Ni in NCM811 cathodes results in severe capacity fading originating from the undesired side reactions that occur at the cathode-electrolyte interface during prolonged cycling. Therefore, the trade-off between high capacity and long cycle life can obstruct the commercialization process of Ni-rich cathodes in modern lithium-ion batteries (LIBs). In addition, high sensitivity toward air upon storage greatly limits the commercial application. Herein, a facile surface modification strategy is introduced to enhance the cycling and in-air storage stability of NCM811. The NCM811 with a uniform SrTiO 3 (STO) nano-coating layer exhibited outstanding electrochemical performances that could deliver a high discharge capacity of 173.5 mAh⋅g -1 after 200 cycles under 1C with a capacity retention of 90%. In contrast, the uncoated NCM811 only provided 65% capacity retention of 130.8 mAh⋅g -1 under the same conditions. Structural evolution analysis suggested that the STO coating acted as a buffer layer to suppress the dissolution of transition metal ions caused by the HF attack from the electrolyte and promote the lithium diffusion during the charge-discharge process. In addition, the constructed STO layer prevented the exposure of NCM811 to H 2 O and CO 2 and thus effectively improved the in-air storage stability. This work offers an effective way to enhance the performance stability of Ni-rich oxides for high-performance cathodes of lithium-ion batteries., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2022 Elsevier Inc. All rights reserved.)

Objectives: To describe Staphylococcus lugdunensis prosthetic joint infection (PJI) management and outcome., Methods: Adults with proven S. lugdunensis PJI were included in a multicentric retrospective cohort. Determinants for failure were assessed by logistic regression and treatment failure-free survival curve analysis (Kaplan-Meier)., Results: One hundred and eleven patients were included (median age 72.4 [IQR, 62.7-79.4] years), with a knee (n = 71, 64.0%) or hip (n = 39, 35.1%) PJI considered as chronic in 77 (69.4%) cases. Surgical management consisted in debridement, antibiotic with implant retention (DAIR; n = 60, 54.1%), two-stage (n = 28, 25.2%) or one-stage (n = 15, 13.5%) exchange. Total duration of antimicrobial therapy was 13.1 (IQR, 11.8-16.9) weeks. After a median follow-up of 99.9 (IQR, 53.9-178.1) weeks, 22 (19.8%) S. lugdunensis-related treatment failures were observed. Independent determinants for outcome were diabetes (OR, 3.741; p = 0.036), sinus tract (OR, 3.846; p = 0.032), DAIR (OR, 3.749; p = 0.039) and rifampin-based regimen (OR, 0.319; p = 0.043). Twenty-four (40.0%) of the 60 DAIR-treated patients experienced treatment failure, with hip location (OR, 3.273; p = 0.048), delay from prosthesis implantation (OR, 1.012 per month; p = 0.019), pre-surgical CRP level >115 mg/L (OR, 4.800; p = 0.039) and mobile component exchange (OR, 0.302; p = 0.069) constituting additional determinants of outcome., Conclusions: Staphylococcus lugdunensis PJI are difficult-to-treat infections, with pivotal roles of an optimal surgical management., Competing Interests: Conflict of interest None of the authors has commercial or other associations that might pose a conflict of interest for this manuscript., (Copyright © 2022. Published by Elsevier Ltd.)

Introduction: Masquelet's induced membrane technique offers a definitive contribution to the treatment of diaphyseal osteomyelitis. To overcome its drawbacks while maintaining its principles, technical modifications have been proposed: antibiotic cement, femoral intramedullary autograft harvested by RIA (Reamer Irrigation Aspiration) and interlocking nails., Material and Method: This retrospective study gathered patients with chronic osteomyelitis of the femur or tibia. The first surgical stage consisted of bone resection in the healthy zone and use of a gentamicin cement spacer to fill the bone defect. The second stage consisted of the placement of a statically locked intramedullary nail associated with a bone autograft using the RIA technique., Results: Among this group of 12 men with diaphyseal osteomyelitis; 9 tibial and 2 femoral, and 1 knee nonunion, the mean bone defect was 7.3cm (±6.7). The mean time between the 2 stages was 2.7months (±3) with a mean antibiotic period of 3.25weeks (±3). There was a femoral diaphyseal fracture at the donor site, and a wrong trajectory intraoperatively during the RIA. Two patients with tibial nonunion presented with nail rupture without septic recurrence. A septic recurrence was healed by removal of the nail. At a minimum follow-up of 18months, with an average of 5years, consolidation was complete without infectious recurrence. Despite the statistical weakness related to the size of the cohort, the resumption of early weight bearing (OR=-7.68 95% CI [-13.33 to -2.08] (p=0.01)) and nail dynamization seemed to have an impact on the formation of complete consolidation (OR=-0.86 95% CI [-1.39 to -0.33] (p=0.007))., Discussion and Conclusion: This short series, compared to the literature, demonstrated that the proposed technical modifications improved the overall management of this rare and challenging condition while maintaining the reliability of the original technique. Dynamization was also seen to be of particular interest., Level of Evidence: IV, retrospective study., (Copyright © 2022 Elsevier Masson SAS. All rights reserved.)

Ruddlesden-Popper phase 2D perovskite solar cells (PSCs) exhibit improved lifetime while still facing challenges such as phase alignment and up-scaling to module-level devices. Herein, polyelectrolytes are explored to tackle this issue. The contact between perovskite and hole-transport layer (HTL) is important for decreasing interfacial non-radiative recombination and scalable fabrication of uniform 2D perovskite films. Through exploring compatible butylamine cations, we first demonstrate poly(3-(4-carboxybutyl)thiophene-2,5-diyl)-butylamine (P3CT-BA) as an efficient HTL for 2D PSCs due to its great hydrophilicity, relatively high hole mobility and uniform surface. More importantly, the tailored P3CT-BA has an anchoring effect and acts as the buried passivator for 2D perovskites. Consequently, a best efficiency approaching 18 % was achieved and we further first report large-area (2×3 cm 2 , 5×5 cm 2 ) 2D perovskite minimodules with an impressive efficiency of 14.81 % and 11.13 %, respectively., (© 2022 Wiley-VCH GmbH.)

The aim of this study was to assess the acceptability and feasibility of offering risk-based breast cancer screening and its integration into regular clinical practice. A single-arm proof-of-concept trial was conducted with a sample of 387 women aged 40-50 years residing in the city of Lleida (Spain). The study intervention consisted of breast cancer risk estimation, risk communication and screening recommendations, and a follow-up. A polygenic risk score with 83 single nucleotide polymorphisms was used to update the Breast Cancer Surveillance Consortium risk model and estimate the 5-year absolute risk of breast cancer. The women expressed a positive attitude towards varying the frequency of breast screening according to individual risk and, especially, more frequently inviting women at higher-than-average risk. A lower intensity screening for women at lower risk was not as welcome, although half of the participants would accept it. Knowledge of the benefits and harms of breast screening was low, especially with regard to false positives and overdiagnosis. The women expressed a high understanding of individual risk and screening recommendations. The participants' intention to participate in risk-based screening and satisfaction at 1-year were very high.

Lithium-rich manganese-based oxides (LRMO) are regarded as promising cathode materials for powering electric applications due to their high capacity (250 mAh g -1 ) and energy density (∼900 Wh kg -1 ). However, poor cycle stability and capacity fading have impeded the commercialization of this family of materials as battery components. Surface modification based on coating has proven successful in mitigating some of these problems, but a microscopic understanding of how such improvements are attained is still lacking, thus impeding systematic and rational design of LRMO-based cathodes. In this work, first-principles density functional theory (DFT) calculations are carried out to fill out such a knowledge gap and to propose a promising LRMO-coating material. It is found that SrTiO 3 (STO), an archetypal and highly stable oxide perovskite, represents an excellent coating material for Li 1.2 Ni 0.2 Mn 0.6 O 2 (LNMO), a prototypical member of the LRMO family. An accomplished atomistic model is constructed to theoretically estimate the structural, electronic, oxygen vacancy formation energy, and lithium-transport properties of the LNMO/STO interface system, thus providing insightful comparisons with the two integrating bulk materials. It is found that (i) electronic transport in the LNMO cathode is enhanced due to partial closure of the LNMO band gap (∼0.4 eV) and (ii) the lithium ions can easily diffuse near the LNMO/STO interface and within STO due to the small size of the involved ion-hopping energy barriers. Furthermore, the formation energy of oxygen vacancies notably increases close to the LNMO/STO interface, thus indicating a reduction in oxygen loss at the cathode surface and a potential inhibition of undesirable structural phase transitions. This theoretical work therefore opens up new routes for the practical improvement of cost-affordable lithium-rich cathode materials based on highly stable oxide perovskite coatings.

Context: After a COVID-19 infection, some patients have persistent symptoms, the most common is fatigue. To prevent it from becoming chronic (post-COVID-19 syndrome), early management before 3 months could be useful. Exercise and education are recommended., Objective: To assess fatigue in patients with prolonged symptoms after COVID-19 infection and who received a mixed program of remote adapted physical activity and therapeutic education. The secondary objective was to evaluate the efficacy and safety of this training method thanks to aerobic and anaerobic parameters., Methods: "CoviMouv': From Coaching in Visual to Mouv in real" is a nonrandomized controlled pilot study. Patients in telerehabilitation followed 12 remote exercise sessions and 3 therapeutic education workshops. Patients on traditional rehabilitation followed their program with a community-based physiotherapist., Results: Fatigue was reduced after the one-month intervention in both groups ( p = 0.010). The majority of aerobic parameters were significantly improved, e.g., maximal oxygen uptake ( p = 0.005), walking distance ( p = 0.019) or hyperventilation values ( p = 0.035). The anaerobic parameter was not improved ( p = 0.400). No adverse event was declared., Discussion: Telerehabilitation is a good alternative when a face-to-face program is not possible. This care at an early stage of the disease could help prevent the chronicity of post-COVID-19 symptoms and the installation of vicious circles of physical deconditioning. A larger study would be necessary., Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (Copyright © 2022 Colas, Bayle, Labeix, Botelho-Nevers, Gagneux-Brunon, Cazorla, Schein, Breugnon, Garcin, Feasson, Roche and Hupin.)

We demonstrate that the heat capacity Boson peak (BP)-like anomaly appearing in fully ordered anharmonic molecular crystals emerges as a result of the strong interactions between propagating (acoustic) and low-energy quasi-localized (optical) phonons. In particular, we experimentally determine the low-temperature (<30 K) specific heat of the molecular crystal benzophenone and those of several of its fully ordered bromine derivatives. Subsequently, by means of theoretical first-principles methods based on density functional theory, we estimate the corresponding phonon dispersions and vibrational density of states. Our results reveal two possible mechanisms for the emergence of the BP-like anomaly: (i) acoustic-optic phonon avoided crossing, which gives rise to a pseudo-van Hove singularity in the acoustic phonon branches, and (ii) piling up of low-frequency optical phonons, which are quasi degenerate with longitudinal acoustic modes and lead to a surge in the vibrational density of states at low energies.

Hybrid halide perovskites have emerged as highly promising photovoltaic materials because of their exceptional optoelectronic properties, which are often optimized via compositional engineering like mixing halides. It is well established that hybrid perovskites undergo a series of structural phase transitions as temperature varies. In this work, the authors find that phase transitions are substantially suppressed in mixed-halide hybrid perovskite single crystals of MAPbI 3-x Br x (MA = CH 3 NH 3 + and x = 1 or 2) using a complementary suite of diffraction and spectroscopic techniques. Furthermore, as a general behavior, multiple crystallographic phases coexist in mixed-halide perovskites over a wide temperature range, and a slightly distorted monoclinic phase, hitherto unreported for hybrid perovskites, is dominant at temperatures above 100 K. The anomalous structural evolution is correlated with the glassy behavior of organic cations and optical phonons in mixed-halide perovskites. This work demonstrates the complex interplay between composition engineering and lattice dynamics in hybrid perovskites, shedding new light on their unique properties., (© 2022 The Authors. Small published by Wiley-VCH GmbH.)

Metallic 1T-phase MoS 2 exhibits superior hydrogen evolution reaction (HER) performance than natural 2H-phase MoS 2 owing to its higher electrical conductivity and abundance of active sites. However, the reported 1T-MoS 2 catalysts usually suffer from extreme instability, which results in quick phase transformation at ambient conditions. Herein, we present a facile approach to engineer the phase of MoS 2 by introducing intercalated hydrazine. Interestingly, the as-synthesized 1T-dominant MoS 2 sample demonstrates excellent ambient stability without noticeable degradation for 3 months. Additionally, the 1T-dominant MoS 2 exhibits superior electrical conductivity (∼700 times higher than that of 2H-MoS 2 ) and improved electrochemical catalytic performance (current density ∼12 times larger than that of 2H-MoS 2 at an overpotential of 300 mV vs the reversible hydrogen electrode, RHE). Through experimental characterizations and density functional theory (DFT) calculation, we conclude that the stabilization of the metallic phase could be attributed to the electron donation from hydrazine molecules to the adjacent Mo atoms. The phase control strategy in this work provides a guideline to develop other highly efficient and stable two-dimensional (2D) electrocatalysts.

Background and Objective: Lyme disease which is one of the most common infectious vector-borne diseases manifests itself in most cases with erythema migrans (EM) skin lesions. Recent studies show that convolutional neural networks (CNNs) perform well to identify skin lesions from images. Lightweight CNN based pre-scanner applications for resource-constrained mobile devices can help users with early diagnosis of Lyme disease and prevent the transition to a severe late form thanks to appropriate antibiotic therapy. Also, resource-intensive CNN based robust computer applications can assist non-expert practitioners with an accurate diagnosis. The main objective of this study is to extensively analyze the effectiveness of CNNs for diagnosing Lyme disease from images and to find out the best CNN architectures considering resource constraints., Methods: First, we created an EM dataset with the help of expert dermatologists from Clermont-Ferrand University Hospital Center of France. Second, we benchmarked this dataset for twenty-three CNN architectures customized from VGG, ResNet, DenseNet, MobileNet, Xception, NASNet, and EfficientNet architectures in terms of predictive performance, computational complexity, and statistical significance. Third, to improve the performance of the CNNs, we used custom transfer learning from ImageNet pre-trained models as well as pre-trained the CNNs with the skin lesion dataset HAM10000. Fourth, for model explainability, we utilized Gradient-weighted Class Activation Mapping to visualize the regions of input that are significant to the CNNs for making predictions. Fifth, we provided guidelines for model selection based on predictive performance and computational complexity., Results: Customized ResNet50 architecture gave the best classification accuracy of 84.42% ±1.36, AUC of 0.9189±0.0115, precision of 83.1%±2.49, sensitivity of 87.93%±1.47, and specificity of 80.65%±3.59. A lightweight model customized from EfficientNetB0 also performed well with an accuracy of 83.13%±1.2, AUC of 0.9094±0.0129, precision of 82.83%±1.75, sensitivity of 85.21% ±3.91, and specificity of 80.89%±2.95. All the trained models are publicly available at https://dappem.limos.fr/download.html, which can be used by others for transfer learning and building pre-scanners for Lyme disease., Conclusion: Our study confirmed the effectiveness of even some lightweight CNNs for building Lyme disease pre-scanner mobile applications to assist people with an initial self-assessment and referring them to expert dermatologist for further diagnosis., Competing Interests: Declaration of Competing Interest The authors have declared no conflict of interest., (Copyright © 2022 Elsevier B.V. All rights reserved.)

Objective: Carbapenemase-producing Enterobacteriaceae (CRE) and Enterococcus faecium resistant to vancomycin (VRE) constitute major threats to public health worldwide. The Pacific area is concerned and has implemented strategies to control antimicrobial resistance (AMR). However, accurate epidemiological data are rarely reported. Our study aimed to present the strategies applied to prevent and control the spread of highly resistant bacteria in the Pacific territory of New Caledonia., Patients and Methods: Cohort prospective study of all cases of highly resistant bacteria (HRB) isolated in New Caledonia from September 2004 to December 2020. Evaluation of the impact of the infection control measures implemented in healthcare settings: screening strategy, cohorting unit, IT tools and control of antibiotic prescriptions., Results: A total of 346 patients with HRB were identified. Most of them (63.0%) were infected or colonized by VRE (n=218) and 128 by CRE. While the number of CREs significantly increased from 2013 to 2020 (P<0.0001), control procedures have limited their dissemination. Most patients were colonized by IMP-4-CRE (n=124/128). The incidence density of VRE significantly decreased from 38.52 for 100,000 hospitalisation-days in 2015 to 4.19 for 100,000 hospitalisation-days in 2019 due to systematic screening of patients before sanitary repatriation from Australia and cohorting implementation. The risk of VRE diffusion is now well under control., Conclusions: Our study confirms that it is possible to control the spread of AMR in a circumscribed territory by means of a global control strategy involving screening, cohorting unit, IT tools and antibiotic prescription controls., (Copyright © 2021. Published by Elsevier Masson SAS.)

Bone and joint infections represent a potentially devastating complication of prosthetic orthopedic joint replacement, thus requiring both rapid and appropriate antibiotic treatment. Staphylococcus aureus is one of the most common pathogens involved in this pathology. Being able to assert its presence is the first step of efficient patient management. This monocenter study evaluated the MRSA/SA ELITe MGB assay for the molecular detection of S. aureus and methicillin-resistant S. aureus (MRSA) in bone and joint biopsy specimens and synovial fluids. This test, together with conventional techniques, including standard cultures and the 16S rRNA amplification assay, was performed on 208 successive perioperative samples collected prospectively for 1 year obtained from 129 patients. Using conventional techniques, we detected a microbial pathogen in 76 samples from 58 patients, 40 of which were identified as S. aureus. The limit of detection (LOD) of the MRSA/SA ELITe MGB assay was experimentally determined for bone and joint biopsy specimens and synovial fluids using negative samples spiked with S. aureus ATCC 43300. The sensitivities of S. aureus detection with the MRSA/SA ELITe MGB assay were 82.5% (33/40 samples) and 97.5% (39/40 samples) using the manufacturer's LOD and an experimentally determined LOD, respectively. Interestingly, using the osteoarticular specific LOD, 15 additional samples were determined to be positive for S. aureus DNA with the MRSA/SA ELITe MGB assay; in all cases, these samples were obtained from patients considered to be infected with S. aureus according to their clinical and microbiological records. The results were available within 24 h, which could help to expedite therapeutic decisions.

Leptospirosis is endemic in New Caledonia. Clinical diagnosis is often difficult and its evolution can be fatal. Leptospirosis requires specific management before biological confirmation. Modified Faine criteria (Faine Score) have been suggested to diagnose leptospirosis on epidemiological (parts A and B) and biological (part C) criteria. The main objective of our study was to assess the relevance of the epidemiological-clinical modified Faine score, parts A and B (MF A + B), in patients with suspected leptospirosis in New Caledonia. A monocentric case-control study was conducted in suspect patients for whom a Leptospira polymerase chain reaction (PCR) test was done within the first 7 days of signs onset at the tertiary hospital from January 2018 to January 2019. Cases and control subjects were matched 1:2 in the gender and age categories. Bivariate, and then multivariable, analyses studied the association between the MF A + B score and a positive Leptospira PCR test, adjusted on the variables retained. In all, 35 cases and 70 control subjects matched for age and gender were analyzed. Multivariable analysis by logistic regression found a significant association between an MF A + B score taken from the categories "possible leptospirosis" (score, 20-25) and "presumed leptospirosis" (score, > 26), and the case or control subject status (P < 0.0001). Model performance was high, with an area under the curve value of 99.27%, 93.55% sensitivity, and 96.36% specificity, which classified subjects correctly in 95.35% of cases. Our study suggests using the MF A + B score to identify possible cases of leptospirosis and initiate antibiotic therapy before biological confirmation in New Caledonia. This score should be evaluated in areas where more differential diagnoses exist and where PCR is not widely available.

Structural defects are ubiquitous for polycrystalline perovskite films, compromising device performance and stability. Herein, a universal method is developed to overcome this issue by incorporating halide perovskite quantum dots (QDs) into perovskite polycrystalline films. CsPbBr 3 QDs are deposited on four types of halide perovskite films (CsPbBr 3 , CsPbIBr 2 , CsPbBrI 2 , and MAPbI 3 ) and the interactions are triggered by annealing. The ions in the CsPbBr 3 QDs are released into the thin films to passivate defects, and concurrently the hydrophobic ligands of QDs self-assemble on the film surfaces and grain boundaries to reduce the defect density and enhance the film stability. For all QD-treated films, PL emission intensity and carrier lifetime are significantly improved, and surface morphology and composition uniformity are also optimized. Furthermore, after the QD treatment, light-induced phase segregation and degradation in mixed-halide perovskite films are suppressed, and the efficiency of mixed-halide CsPbIBr 2 solar cells is remarkably improved to over 11% from 8.7%. Overall, this work provides a general approach to achieving high-quality halide perovskite films with suppressed phase segregation, reduced defects, and enhanced stability for optoelectronic applications., (© 2021 The Authors. Advanced Science published by Wiley-VCH GmbH.)

Interfacial thermal transport plays a prominent role in the thermal management of nanoscale objects and is of fundamental importance for basic research and nanodevices. At metal/insulator interfaces, a configuration commonly found in electronic devices, heat transport strongly depends upon the effective energy transfer from thermalized electrons in the metal to the phonons in the insulator. However, the mechanism of interfacial electron-phonon coupling and thermal transport at metal/insulator interfaces is not well understood. Here, the observation of a substantial enhancement of the interfacial thermal resistance and the important role of surface charges at the metal/ferroelectric interface in an Al/BiFeO 3 membrane are reported. By applying uniaxial strain, the interfacial thermal resistance can be varied substantially (up to an order of magnitude), which is attributed to the renormalized interfacial electron-phonon coupling caused by the charge redistribution at the interface due to the polarization rotation. These results imply that surface charges at a metal/insulator interface can substantially enhance the interfacial electron-phonon-mediated thermal coupling, providing a new route to optimize the thermal transport performance in next-generation nanodevices, power electronics, and thermal logic devices., (© 2021 Wiley-VCH GmbH.)