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Microenvironment-responsive multifunctional enzyme-linked hydrogel for diabetic bone defect regeneration
PD-L1 expression in gastric cancer assessed with antibodies 28-8 and 22C3
Optical and electrical properties of PEDOT:PSS doped with polar solvents
Poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) has become one of the most widely used conductive polymers due to its stable conductivity, good flexibility, high light transmittance, and other advantages. In this study, PEDOT:PSS films with single doping of dimethyl sulfoxide (DMSO) or ethylene glycol (EG) and binary doping were prepared by spray coating. The electrical and optical properties of the films under different doping systems were compared. The experimental results revealed that the optical and electrical properties of binary doping are better. To explain this enhancement mechanism, multiscale molecular modeling, including density functional theory calculations and molecular dynamics simulations, was carried out. We demonstrated that DMSO cannot form hydrogen bonds with deprotonated PSS−, while EG can. Moreover, the synergistic effect of DMSO and EG can more effectively remove the insulating PSS. In addition, we found that the alterations in the morphology and structure of PEDOT induced by polar solvent doping represent the pivotal factor contributing to the improvement in the light transmittance of PEDOT:PSS films.
Dimensionality of the reinforced superconductivity in UTe2
Abstract Superconductivity in the heavy-fermion metal UTe 2 survives under high magnetic fields, presenting both an intriguing puzzle and an experimental challenge. The non-perturbative influence of the magnetic field complicates the determination of superconducting order parameters in the high-field phases. Here, we report electronic transport anisotropy measurements in precisely aligned microbars in magnetic fields to 45 T. Our results reveal a highly directional vortex pinning force in the field-reinforced phase. The critical current is significantly suppressed for currents only along the c- direction, where the flux-flow voltage vanishes with slight angular misalignments—hallmarks of vortex lock-in transitions typically seen in quasi-2D superconductors like cuprates and pnictides. This marks the observation of a transition into a vortex lock-in state at the boundary between two distinct superconducting states. These findings challenge assumptions of nearly isotropic charge transport in UTe 2 and point to enhanced two-dimensionality in the high-field state, consistent with a change in the order parameter.
A novel amphibian herpesvirus (candidate Batravirus ranidallo5) associated with disease in free-ranging Iberian painted frogs (Discoglossus galganoi) in Spain
Reduced-cost relativistic equation-of-motion coupled cluster method based on frozen natural spinors: A state-specific approach
We present the theoretical framework, implementation, and benchmark results for a reduced-cost relativistic equation-of-motion coupled cluster singles and doubles (EOM-CCSD) method based on state-specific frozen natural spinors (SS-FNSs). In this approach, the state-specific frozen natural spinors are derived from the second-order algebraic diagrammatic construction method, providing a compact virtual space for excited-state calculations. The excitation energies computed with the SS-FNS-EE-EOM-CCSD method exhibit smooth convergence with respect to the size of the virtual space and demonstrate significant improvements over those obtained using the conventional MP2-based FNS approach. We have implemented the relativistic SS-FNS-EE-EOM-CCSD method using both the four-component Dirac–Coulomb and the exact two-component atomic mean-field (X2CAMF) Hamiltonians for excitation energies and transition properties. The X2CAMF-based relativistic EOM-CCSD method emerges as a promising approach for large-scale excited-state calculations, achieving excellent agreement with the standard relativistic EOM-CCSD method based on the untruncated canonical spinor basis, but at a significantly reduced computational cost.
Germline pathogenic variation impacts somatic alterations and patient outcomes in pediatric central nervous system tumors
Research on vehicle trajectory planning algorithm integrating spatiotemporal constraints and adaptive curvature
Electron impact study for CH2F2 over a wide energy range (0.1–5000 eV)
In the present work, we have carried out a comprehensive electron interaction study with an important hydrofluorocarbon gas, difluoromethane (CH2F2), over a wide energy range (0.1–5000 eV). Various elastic and inelastic molecular processes are quantified and reported through differential and total cross sections. In order to investigate interactions for such a wide energy range, we have used ab initio R-matrix formalism for low energies and the Spherical Complex Optical Potential approach for intermediate- to high-energy regimes. We have evaluated the ionization cross sections using complex scattering potential-ionization contribution and Binary-Encounter-Bethe methods.
Superharmonic proton motion in high-energy-density organic electrodes for aqueous zinc batteries
Resveratrol delays senescence of human dental pulp stem cells via activating the SIRT1-mitochondrial autophagy
Assessing properties of Al and Ga dopants in ZnSe
ZnSe is a material that has been studied in the past for its use in optoelectronics such as light-emitting diodes and lasers. More recently, ZnSe has become a material of interest for quantum computing applications because of its direct and wide bandgap (2.82 eV) and its ability to be grown isotopically pure. Group III elements aluminum (Al) and gallium (Ga) have a history of being donor dopants in ZnSe for optoelectronic applications, but their properties have not yet been assessed with density functional theory (DFT). This work explores the thermodynamic, electronic, and spin properties of Al and Ga defects in ZnSe with hybrid-functional DFT, and the findings are compared with experimental results from the literature. It will be shown that Al and Ga are donors that have zero spin when they occupy the Zn site in ZnSe. Al and Ga on the Se site possess interesting spin properties that could potentially be utilized for quantum applications. In particular, the +1 charge states of either Al or Ga replacing Se (AlSe1 and GaSe1) both have spin-triplet ground state configurations as well as spin-conserved intra-defect transitions well isolated from the band edges. Their properties provide interesting insight that could be helpful in furthering the search for point defects that can be utilized as spin qubits in ZnSe.
Identification of a PFAS hyperaccumulator and elucidation of its translocation mechanism for sustainable phytoremediation
Engineering properties of expansive soil stabilized with barley husk ash and lime: case study of Jimma town subgrade soils
Chain dynamics and conductivity of polymerized ionic liquids: Effects of electrostatic correlation and chain length
Polymerized ionic liquids (PILs) exhibit complex ion transport dynamics that are central to advancing energy storage design. In this work, we employ coarse-grained molecular dynamics simulations with smeared electrostatics and mass to isolate the role of electrostatic correlations and chain length on ion transport in solvent-free PILs. This model enables access to long chain lengths and entangled regimes and is constructed such that it eliminates glassy slowdown. We find that introducing electrostatics slightly stiffens the polymer chains, slows their relaxation, and reduces diffusivity. Nevertheless, the charged system retains ideal chain statistics and exhibits the same Rouse-to-reptation crossover observed in the analogous uncharged system. Moreover, although polyanion diffusivity decreases sharply with chain length, the ion conductivity remains nearly constant. Analysis of the Onsager transport coefficients reveals that this behavior arises from a competition between the slowdown of polymer diffusion and enhanced interchain correlations. This competition and the resulting conductivity behavior persist even in the absence of electrostatic interactions, highlighting the role of melt incompressibility rather than charge-mediated effects. These findings reveal an intrinsic decoupling between charge transport and chain relaxation that does not rely on glass transition, suggesting that mechanical properties can, in principle, be tuned via the chain length without compromising conductivity.
Ultrafast nonthermal electron transfer at plasmonic interfaces
Abstract Plasmon-induced charge generation and separation in metal/semiconductor heterostructures offer a promising platform for hot carrier-based energy conversion applications. A key challenge is understanding ultrafast hot carrier transfer at heterogeneous interfaces, as the details of plasmonic enhanced charge transfer dynamics and accompanying energy relaxation remain unclear. Here, by tracking charge transfer processes across spatial, temporal, and energy domains, we reveal ultrafast, nonthermal electron transfer directly from gold nanoparticles to gallium nitride (GaN) without energy losses from electron-electron scattering. This process facilitates efficient charge separation and produces a nonthermal distribution of transferred electron in GaN—contrasting with substantial energy dissipation typically observed during conventional interfacial charge transport. Furthermore, we demonstrate the pivotal role of light polarization in modulating charge generation and energy distribution, which enables dynamic control of electron relaxation and enhances the possibility of nonthermal electrons surmounting the Schottky barrier for successful injection. These insights pave the way for advancing hot-carrier management and achieving coherent control of non-equilibrium charge behavior across multiple dimensions for solar energy conversion and optoelectronic applications.
Impact of statins on short and long term mortality in severe community acquired pneumonia in the intensive care unit
Abstract Severe community-acquired pneumonia (sCAP) carries high mortality. While co-adjuvant therapies remain limited, statins have shown potential benefits. This study simulated a randomised controlled trial (RCT) using real-world data to evaluate the effect of statins on mortality in ICU patients with sCAP. A propensity score matching (PSM) analysis was conducted using the MIMIC-IV database. Kaplan-Meier curves evaluated the impact of statin therapy on 28-, 90-, and 365-day mortality, and Cox regression was used to confirm associations. A total of 4,742 patients met inclusion criteria, including 1,273 who received statins before and/or during the sCAP episode. PSM achieved balanced baseline characteristics between groups. Statin therapy was associated with reduced mortality: average treatment effect − 4.03% (95% CI: -6.9% to -1.0%, p = 0.007) using PSM and − 3.7% (95% CI: -6.1% to -1.3%, p = 0.002) via inverse probability weighting. Kaplan-Meier analysis showed significantly improved survival for statin users (log-rank p < 0.0001). Cox regression confirmed a protective effect (hazard ratio 0.79, 95% CI: 0.72–0.87, p = 0.0001). Statin use was associated with reduced acute and long-term mortality in patients with sCAP. These findings highlight the potential role of statins as co-adjuvant therapy, supporting further investigation to optimise treatment protocols.
Non-Markovian waiting-time distribution for electron transport through a vibrating molecular junction
A thorough understanding of electronic transport through molecular junctions in the presence of molecular vibrations is crucial for the technical progress of molecular electronics. In this work, we first develop a non-Markovian formalism to predict the waiting-time distribution (WTD) in terms of a generalized quantum master equation, which is valid for finite bias and temperatures. This formalism is applied to the investigation of electron transport through a vibrating molecule for different parameters, where the WTDs are analyzed to explore non-Markovian dynamics induced by the coupling between the molecule and the electrodes in the presence of mechanical dampings. This analysis reveals that the WTDs exhibit prominent damped oscillations for a small damping, indicating that electron transport is directly modulated by the periodic motion of the molecular vibration for both Markovian and non-Markovian couplings to the electrodes. However, the periodic oscillations are sustained for a much longer time in the presence of non-Markovian dynamics. This intriguing non-Markovian characteristic is gradually washed out by increasing either the bias or the tunneling length because both decrease the electronic correlation time, leading to an effective reduction of the coupling between molecules and electrodes. In contrast, an increasing tunneling rate gives rise to enhanced non-Markovian signatures in the WTD, which feature a strong first peak as more energy is pumped into the molecular vibrations by frequent electron tunneling events.
Positive appraisal style predicts long-term stress resilience and mediates the effect of a pro-resilience intervention
Abstract Stress resilience is the maintenance of mental health despite adversity. Identifying factors that predict and promote good long-term mental health outcomes in stressor-exposed individuals is a first step towards developing more effective prevention programs. In two independent observational samples ( N = 132, N = 1034), we find that a tendency to evaluate stressors in a realistic to slightly unrealistically positive fashion (positive appraisal style, PAS) is prospectively associated with resilient outcomes over several years. We also find that PAS is an integrative, proximal resilience factor that mediates the pro-resilience effects of other protective factors (e.g., social support). In an analysis of pre-specified exploratory outcomes of a randomized controlled trial comparing a behavioral intervention targeting a broad set of resilience factors against usual care in a sample of distressed healthcare workers ( N = 232; trial registry: NCT04980326), we find that PAS is modifiable, with improvements in PAS mediating intervention-induced improvements in resilience. These results establish PAS as a proximal, plastic, and potentially causal resilience factor.