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In various countries, a shortage of general practitioners (GPs) and worrying health statistics on risk factors, morbidity and mortality have been observed in rural areas. However, few comparative data are available on GP activities according to their location. The aim of this study was to analyse French GP activities according to their rural or urban practice location.
This study was ancillary to the Eléments de la COnsultation en médecine GENérale (ECOGEN) study, which was a cross-sectional, multicentre, national study conducted in 128 French general practices in 2012. Data were collected by 54 interns in training during a period of 20 working days from December 2011 to April 2012. GP practice location was classified as rural area, urban cluster or urban area. The International Classification of Primary Care (ICPC-2) was used to classify reasons for encounter, health problem assessments, and processes of care. Univariate analyses were performed for all dependent variablesth professionals in rural areas.Molecular docking is one of the most widely used computational tools in structure-based drug design and is critically dependent on accuracy and robustness of the scoring function. In this work, we introduce a new scoring function Lin_F9, which is a linear combination of nine empirical terms, including a unified metal bond term to specifically describe metal-ligand interactions. Parameters in Lin_F9 are obtained with a multistage fitting protocol using explicit water-included structures. For the CASF-2016 benchmark test set, Lin_F9 achieves the top scoring power among all 34 classical scoring functions for both original crystal poses and locally optimized poses with Pearson correlation coefficients (R) of 0.680 and 0.687, respectively. Meanwhile, in comparison with Vina, Lin_F9 achieves consistently better scoring power and ranking power with various types of protein-ligand complex structures that mimic real docking applications, including end-to-end flexible docking for the CASF-2016 benchmark test set using a single or an ensemble of protein receptor structures, as well as for D3R Grand Challenge (GC4) test sets. Lin_F9 has been implemented in a fork of Smina as an optional built-in scoring function that can be used for docking applications as well as for further improvement of scoring functions and docking protocols. Lin_F9 is accessible through https//yzhang.hpc.nyu.edu/Lin_F9/.The electrochemiluminescence (ECL) ratiometric assay is usually based on two different ECL luminophores, and the choice of two suitable luminophores and shared co-reactant makes its construction challenging. The single-emitter-based ECL ratio mode could overcome the limitation of two luminophores and simplify the construction process, so it is an ideal choice. In this work, CdTe quantum dots (CdTe QDs) were modulated using black phosphorus (BP) nanosheet to simultaneously emit the cathodic and anodic ECL signals, and H2O2 and tripropylamine (TPrA) served as the cathodic and anodic co-reactants, respectively. MicroRNA-126 (miRNA-126) was selected as the template target to exploit the application of BP-CdTe QDs in the single-emitter-based ECL ratio detection. Through the target recycling triggering rolling-circle amplification (RCA) reaction, a large amount of glucose oxidase (GOx)-modified single strand 1 was introduced. GOx catalyzed glucose to produce H2O2 in situ, which acted as a dual-role moderator to quench the anodic ECL emission with TPrA as the co-reactant while enhancing the cathodic emission, thereby realizing the ratiometric detection of miRNA-126 with a low detection limit of 29 aM (S/N = 3). The dual-ECL-emitting BP-CdTe QDs with TPrA-H2O2 as dual co-reactant provide a superior ECL ratio platform involving enzyme catalytic reaction, expanding the application of single-emitter-based ratio sensing in the diverse biological analysis.Droplet impact on a smooth solid surface at atmospheric pressure was experimentally studied and physically interpreted. A particular emphasis of the study is on the effects of liquid viscosity on the transition between droplet deposition (or droplet spreading without breakup) and droplet disintegration (including droplet splash and receding breakup). Specifically, the critical Weber number separating droplet deposition from droplet disintegration decreases and then increases with increasing Ohnesorge number (Oh). The splash in the low-Oh region and the receding breakup in the high-Oh region were analyzed qualitatively based on the unbalanced forces acting on the rim of the spreading or receding liquid film. A semiempirical correlation of droplet deposition/disintegration thresholds is proposed and well fits the experimental results from previous and present studies over a wide range of liquid viscosity.Although the antimicrobial, nutritional, and health-promoting properties of royal jelly (RJ) have been widely confirmed, the effects of storage temperature and time on RJ quality remain to be further explored. Herein, the antimicrobial and proteomic dynamics of RJ stored under different conditions were comprehensively investigated to identify consistent and sensitive markers of RJ degradation. We confirmed the negative correlation between antimicrobial properties and increased the storage temperature and duration in RJ. Using surface plasmon resonance, we showed the protein degradation-induced conformation changes in RJ, which reflected the overall variation in RJ proteins caused by the storage conditions. Further proteomic and western blotting analyses demonstrated the sensitivity and reliability of major RJ protein 4 (MRJP4) as a measure of temperature- and time-dependent RJ changes. Based on these results, we developed a colloidal gold immunoassay strip for MRJP4 detection, providing a reliable, simple, and rapid method for the evaluation of RJ freshness.Conjugated polymers achieve redox activity in electrochemical devices by combining redox-active, electronically conducting backbones with ion-transporting side chains that can be tuned for different electrolytes. In aqueous electrolytes, redox activity can be accomplished by attaching hydrophilic side chains to the polymer backbone, which enables ionic transport and allows volumetric charging of polymer electrodes. While this approach has been beneficial for achieving fast electrochemical charging in aqueous solutions, little is known about the relationship between water uptake by the polymers during electrochemical charging and the stability and redox potentials of the electrodes, particularly for electron-transporting conjugated polymers. We find that excessive water uptake during the electrochemical charging of polymer electrodes harms the reversibility of electrochemical processes and results in irreversible swelling of the polymer. We show that small changes of the side chain composition can significantly increase the reversibility of the redox behavior of the materials in aqueous electrolytes, improving the capacity of the polymer by more than one order of magnitude. Finally, we show that tuning the local environment of the redox-active polymer by attaching hydrophilic side chains can help to reach high fractions of the theoretical capacity for single-phase electrodes in aqueous electrolytes. Our work shows the importance of chemical design strategies for achieving high electrochemical stability for conjugated polymers in aqueous electrolytes.Stereoselective synthesis of the C4-C16 polyketide fragment of portimines A and B is reported, enabled by our previously established method for the stereoselective synthesis of syn-α,α'-dihydroxyketones. The preparation of this advanced fragment provides insights useful for the total synthesis of portimines A and B. learn more An asymmetric Evans aldol reaction was used to install the C10-C11 adjacent stereogenic centers before incorporation of indantrione, followed by epoxidation and epoxide opening to forge the challenging syn-α,α'-dihydroxyketone functionality.Light emitting lead halide perovskite nanocrystals are currently emerging as the workhorse in quantum dot research. Most of these reported nanocrystals are isotropic cubes or polyhedral; but anisotropic nanostructures with controlled anisotropic directions still remain a major challenge. For orthorhombic CsPbBr3, the 1D shaped nanostructures reported are linear and along either of the axial directions ⟨100⟩. In contrast, herein, spiral CsPbBr3 perovskite nanorods in the orthorhombic phase are reported with unusual anisotropy having (101) planes remaining perpendicular to the major axis [201]. While these nanorods are synthesized using the prelattice of orthorhombic Cs2CdBr4 with Pb(II) diffusion, the spirality is controlled by manipulation of the compositions of alkylammonium ions in the reaction system which selectively dissolve some spiral facets of the nanorods. Further, as spirality varied with facet creation and elimination, these nanorods were explored as photocatalysts for CO2 reduction, and the evolution of methane was also found to be dependent on the depth of the spiral nanorods. The entire study demonstrates facet manipulation of complex nanorods, and these results suggest that even if perovskites are ionic in nature, their shape could be constructed by design with proper reaction manipulation.In this work, we demonstrate how to efficiently compute the one- and two-body reduced density matrices within the spin-adapted full configuration interaction quantum Monte Carlo (FCIQMC) method, which is based on the graphical unitary group approach (GUGA). This allows us to use GUGA-FCIQMC as a spin-pure configuration interaction (CI) eigensolver within the complete active space self-consistent field (CASSCF) procedure and hence to stochastically treat active spaces far larger than conventional CI solvers while variationally relaxing orbitals for specific spin-pure states. We apply the method to investigate the spin ladder in iron-sulfur dimer and tetramer model systems. We demonstrate the importance of the orbital relaxation by comparing the Heisenberg model magnetic coupling parameters from the CASSCF procedure to those from a CI-only (CASCI) procedure based on restricted open-shell Hartree-Fock orbitals. We show that the orbital relaxation differentially stabilizes the lower-spin states, thus enlarging the coupling parameters with respect to the values predicted by ignoring orbital relaxation effects. Moreover, we find that, while CASCI results are well fit by a simple bilinear Heisenberg Hamiltonian, the CASSCF eigenvalues exhibit deviations that necessitate the inclusion of biquadratic terms in the model Hamiltonian.Synthetic DNA walkers are artificially designed DNA self-assemblies with the capability of performing quasi-mechanical movement at the micro/nanoscale and have shown extensive promise in biosensing, intracellular imaging, and drug delivery. However, DNA walkers are usually constructed by covalently or coordinately binding DNA strands specifically to hard surfaces, thereby greatly limiting their movement efficiency. Herein, we report an intraparticle and interparticle transferable DNA walker (dynamic micelle-supported DNA walker, DM-walker) constructed by immobilizing walking tracks and walking arms onto the corona of DNA micelles according to the principle of Watson-Crick base pairing. The DNAzyme-powered walking arm can drive the intraparticle and interparticle movements of the DM-walker due to the fact that the dynamic structure of the DNA micelle helps overcome the spatial barrier between the arms and tracks in the system, resulting in high walking efficiency. Moreover, the whole DM-walker can be constructed by self-assembly, getting rid of the tedious process and low efficiency of fixing DNA strands on hard surfaces.
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