Theoretical calculations of Janus SiC/MoTeS and SiC/MoSTe nanoceramics: improving the performance of ceramic jewelry.

Context: The development of novel nano-ceramic composite materials significantly enhances the design quality and performance of ceramic jewelry. This research utilizes density functional theory to create innovative nano-ceramic materials, specifically Janus SiC/MoTeS and SiC/MoSTe, and examines their structural and electronic characteristics. The study explores the influence of biaxial and vertical strain on the modulation of the band gap in Janus heterojunctions.

Long-Range Order and Strong Quantum Coupling Enabled Stable Carrier Transport for Reliable Neuromorphic Computing.

Bio-inspired neuromorphic computing based on memristors holds significant potential for performing massively parallel computational tasks with high accuracy. However, its practical application is significantly limited by poor reliability, primarily due to instability in carrier transport. Here, long-range ordered quantum dot (QD) superlattices with strong quantum coupling is presented to enable carrier transport stability and improve device reliability.

Additive with Multinary Interactions to Perovskite Precursor Species for Catalyzed Crystallization of Antisolvent-Free α-FAPbI Solar Cells.

Antisolvent-free processes exhibit numerous advantages for fabricating perovskite solar cells (PSCs) while requiring exquisite control of nucleation and crystallization of perovskite film. Without the addition of Cs and Br species, more obstacles are faced for the preferred α-phase pure formamidinium lead triiodide (α-FAPbI) to achieve high power conversion efficiency (PCE) and stability. In this work, a novel additive, parecoxib (Pr), is proposed, which catalyzes the direct crystallization of α-FAPbI through multinary interactions with the solvate perovskite precursor.

Pore science and engineering: a new era of porous materials.

This perspective introduces a new discipline of pore science and engineering, calling for concerted efforts among researchers to propel porous materials into a new era of theory guide and molecular-level design.

A robust strategy for thermoformable cellulosic composite bioplastics hydrogen bond substitution.

Cellulose represents a promising renewable resource for the development of sustainable alternatives to petroleum-derived plastics, owing to its exceptional biodegradability and renewability. However, the extensive hydrogen-bonding network and ordered crystalline structure of cellulose limit its solubility and thermo-processability, posing significant challenges for large-scale production of recyclable high-performance bioplastics. In this study, we propose a robust strategy for cellulosic composite bioplastic by controlling the disruption and reformation of hydrogen bonds in ethyl cellulose (EC) nanocomposites incorporating rheologically tunable graphene (Rt-G), which can dynamically dissociate hydrogen bonds within the EC matrix.

Microstructure and mechanical properties of a high Nb-TiAl alloy with different carbon additions.

In this paper, the microstructure and mechanical properties of a high Nb-TiAl alloy with different carbon contents were characterized and measured, and the influence mechanisms of carbon addition were discussed. The results indicate that, the added carbon was first dissolved in alloy matrix and caused lattice distortion in α₂-TiAl and γ-TiAl. Exceeding its solid solubility, which was proved to be about 0.

Revealing roles of immobilization in microalgae-bacteria symbiosis system for nutrient removal from wastewater.

Limited information is available on immobilization roles in the microalgae-bacteria system for pollutant removal. In this work, nutrient removal performances and pathways were investigated in suspended microalgae-bacteria, immobilized microalgae-bacteria and co-immobilized microalgae-bacteria systems. Alginate immobilization enabled efficient biomass recovery with remarkable settling velocity at 1.

Multi-Dimensional Optimized Interfaces with Rich Hydrogen-Bond Networks in Composite Solid Electrolytes for Interface-Dominated Li Transport.

Rapid Li transport channels in composite solid electrolytes (CSEs) are often attributed to organic-inorganic interfaces. However, slow Li transport through polymer chains is still dominant due to inefficient interface construction and weak interface interactions. In this study, interface-dominated Li transport was achieved in ultracompatible CSEs by modifying sub-1 nm inorganic cluster chains (ICCs) with polyether amine (PEA).

Mitigating ion flux vortex enables reversible zinc electrodeposition.

Metal anodes hold considerable promise for high-energy-density batteries but are fundamentally limited by electrochemical irreversibility caused by uneven metal deposition and dendrite formation, which compromise battery lifespan and safety. The chaotic ion flow (or ion flux vortex) near the electrode surface, driving these instabilities, has remained elusive due to limitations in conventional techniques such as scanning electron and atomic force microscopies, which are invasive and incapable of probing internal structures of deposits. Here, we employ in-situ X-ray computed tomography (CT) to non-destructively visualize Zn deposition on LAPONITE-coated Zn anodes, thereby revealing the internal structural evolution and deposition orientation.

Multiple sensor fault-tolerant predictive control for autonomous surface vehicle formation.

To address the problem of cooperative Autonomous Surface Vehicle (ASV) formation control under multiple sensor faults (e.g., abnormal positioning and speed data), this paper proposes a predictive fault-tolerant control approach based on the Distributed Extended Kalman Filter (DEKF) and Model Predictive Control (MPC), termed DEKF-MPC.

Light-Driven Actuator Using Superhydrophobic Polymer Composite Films for Biomimetics and Water-Droplet Manipulation.

Combining light-stimulated actuators with large deformation and high sensitivity with superhydrophobic surfaces has great applications in emerging fields, such as smart bionics, microfluidic devices, and droplet manipulation. Here, using self-assembly and spray methods, light-responsive superhydrophobic films driven by UV light were prepared. Due to the low surface energy of polydimethylsiloxane (PDMS) and micronanostructures of ZnO, the film surface exhibited excellent superhydrophobicity.

Bayesian Expectile Joint Model With Varying Coefficient for Longitudinal and Semi-Competing Risks Data.

In the realm of clinical medical research, semi-competing risks data are usually observed in practice, yet there are few studies on the joint models of longitudinal and semi-competing risks data. In this paper, a joint model for longitudinal and semi-competing risks data is proposed. Based on the expectile regression, a linear mixed-effects longitudinal sub-model is formulated, and a Cox proportional hazards survival sub-model is considered under the framework of semi-competing risks.

Improved Utilization of Lithium Salt Additives in Lithium-Ion Batteries Through Power-Tuned Ultrasound for Stable Solid Electrolyte Interphase Layer Formation.

Lithium salt additives, as an important component of lithium-ion batteries (LIBs), suffer from problems of incomplete decomposition and low utilization, causing waste, safety, and environmental pollution. Applying a physical field such as ultrasound during battery formation was proposed to accelerate the decomposition of lithium salt additives such as lithium difluoro bis(oxalate) phosphate (LiDFBOP), but the ultrasonic power seems to critically affect the decomposition efficiency and the components and structure of the solid electrolyte interface (SEI) film because of the exacerbation of side effects. Hence, we explored the effect of different ultrasonic powers and half the amount of lithium salt additives on the decomposition of lithium salt and the components and structure of the generated SEI film, thereby establishing the correlation between ultrasonic power, the amount of lithium salt additives, and electrochemical performance and achieving the goal of 'reducing amount and increasing efficiency' for electrolyte additives.

Unlocking the Ligand-Dominated Redox Activity in π-d Conjugated Coordination Polymers for High-Capacity and Stable Potassium Storage.

Potassium-ion batteries (KIBs) offer a cost-effective, resource-abundant alternative to lithium-ion systems, yet the development of high-performance anodes with adequate capacity, stability, and rate capability remains a major challenge. Here, an electronic structure engineering strategy is introduced via d-orbital configuration optimization in a novel class of π-d conjugated coordination polymers (TM-BTA, TM = Ni, Co, Mn). Orbital-level and charge density analyses reveal that the metal center's electronic configuration governs metal-ligand interaction strength, thereby modulating charge delocalization and ligand redox behavior.

Synergistic Enhancement of Ferroelectricity in Eu/Fe Codoped BiNaTiO Thin Films: Mechanistic Insights via Luminescent Probing and Defect Engineering.

Defect engineering is a pivotal strategy for optimizing the polarization intensity in ferroelectrics. However, the synergistic effects of codoping transition metals and rare-earth ions into ferroelectric systems remain underexplored, and the resulting atomic-scale coupling mechanisms are not fully deciphered. This study demonstrates a synergistic enhancement of ferroelectric polarization in lead-free BiNaTiO (BNT) thin films through Eu/Fe codoping while elucidating the underlying mechanism via luminescent probing and simulation calculation.

Fe-Mn bimetallic loaded sludge biochar as a novel periodate activator for sulfamethoxazole removal: The combination of radical and non-radical mechanisms.

Pharmaceuticals and personal care products (PPCPs) have emerged as significant environmental contaminants, garnering considerable concern from both scientific communities and the general public. This study presented a citric acid sol-gel approach to synthesize iron-manganese modified sludge biochar (FM-SBC) for periodate (PI) activation toward sulfamethoxazole (SMX) removal from aqueous solutions. The incorporation of Fe and Mn species enhanced surface charge transfer and generated additional defect sites in the biochar matrix.

Metagenomic analysis of algal-bacteria symbiosis system (ABSS) under aniline stress: Synergistic optimization of aniline degradation and nitrogen metabolism.

As an energy-efficient and environmentally friendly algae-bacteria symbiotic system (ABSS), the underlying mechanisms governing its response to aniline remained inadequately explored. To address this, our research conducted a metagenomics-bathe superior performance of an ABSS (R2) over conventional activated sludge (R1) for aniline wastewater treatment. Specifically, R2 exhibited more stable aniline and COD removal capabilities compared to R1, with a 20 % significant increase in total nitrogen removal efficiency.

Polarization electric field tuning interface electric field in full-spectral response double S-scheme heterojunction to drive synchronous removal of Cr(VI) and RBR X-3B.

Photocatalytic technology provides a sustainable development strategy for the synchronous removal of azo dyes and mordant leaching of Cr(VI). To mitigate the shielding effect of free carriers on the built-in electric field during the photocatalytic process, a double S-scheme piezo-photocatalyst BiWO/BiOCl/BiS (BW-C-S) with full spectral response that can continuously respond to the ultrasound-guided polarized electric field to adjust the built-in electric field to promote the separation and migration of photogenerated carriers was developed. BW-C-S effectively overcame the barriers of carrier separation and migration by utilizing an ultrasonic-optical coupling field, achieving the rapid synchronous removal of reactive brilliant red X-3B (RBR X-3B) (0.

Recent Advances on Catalytic Asymmetric Synthesis of Molecules Bearing a Fluorine-Containing Stereogenic Carbon Center (2015-2024).

Fluorine, due to its unique ability to modify the physicochemical and biological properties of parent molecules, has found wide applications as pharmacological modulators in drug development research. Consequently, the portion of fluorine-containing drugs has increased to about 20% in recent years. Among these, fluorine-containing drugs with aromatic fluoro-substitutions are more common than those with fluoro-substitutions at stereogenic centers.

Covalent Tridentate Molecule Anchoring Enhances Nickel Oxide for Efficient Perovskite Solar Cells.

Nickel oxide (NiO) is a promising hole transport material for perovskite solar cells, but its high surface defect density and energy level mismatch with perovskite limit device efficiency. Conventional organic surface modifiers, relying on weak hydrogen bonds or single covalent bonds, fail to anchor stably to NiO, hindering their functional effectiveness. Here, A multidentate anchoring organic molecule, [4-(trifluoromethyl)phenyl]triethoxysilane (3F-PTES), is presented, forming robust tridentate covalent bonds with the NiO surface and significantly enhances interfacial binding strength and surface coverage compared with conventional groups (e.

Accounting for instrument resolution in the pair distribution functions obtained from total scattering data using Hermite functions.

The use of Hermite functions to describe pair distribution functions (PDFs) from total scattering data was previously proposed by Krylov & Vvedenskii [ (1995), , 683-687]. Hermite functions have a suitable form for describing both the total scattering data and the PDF, and have the useful feature that they are eigenfunctions of the Fourier transform operation. We demonstrate that, by fitting Hermite functions to total scattering data, it is possible to take into account the effects of experimental resolution when deriving the PDF from the scattering data.

Hyperbranched Poly(citric acid) Mitigated Iron Overload Damage via Iron Chelation and Antioxidation.

Iron overload (IO) is a condition of excessive iron deposition in various organs, which can cause pathological changes. In the treatment of IO, iron chelators have toxic side effects, and antioxidants cannot decrease iron deposition. Herein, a biodegradable hyperbranched poly(citric acid) (PCA) was synthesized, and the therapeutic effects of PCA on IO were investigated based on liver and bone tissue iron injury mouse models.

Encrypted traffic classification encoder based on lightweight graph representation.

In recent years, traffic encryption technology has been widely adopted for user information protection, leading to a substantial increase in encrypted traffic in communication networks. To address issues such as unclear local key features and low classification accuracy in traditional malicious traffic detection and normal application classification, this paper introduces an encrypted traffic classification encoder based on lightweight graph representation. By converting packet byte sequences into graphs to construct byte-level traffic graphs, we propose building a weighted output applied through a weight matrix to facilitate model lightweighting.

Molecular-Level Understanding of Membrane Disruption Behaviors of Antimicrobial Peptides by Gradient Boosting Algorithm-Assisted Raman Spectroscopy.

Antimicrobial peptides (AMPs) can rapidly kill bacteria via disrupting the integrity of the cytoplasmic membrane. Although the understanding of the interaction between AMPs and phospholipid membrane is essential for related drug designs, the observation of this process is still challenging, especially at the molecular level. Herein, we develop a new analytical methodology named gradient boosting algorithm-assisted Raman spectroscopy (GB-Raman) for revealing the membrane disruption mechanism of AMPs.

Do visual guiding facilities in freeway tunnels affect drivers' perception of longitudinal safety distance? A simulation experiment.

Objective: The safety perception of longitudinal distance by drivers in tunnels is critical for road safety. However, existing studies mainly focus on the effects of visual guiding facilities on speed perception and vehicle position, with limited research on their impact on longitudinal distance perception. This study aims to evaluate the effect of different types of visual guiding facilities on drivers' safety perception of longitudinal distance in freeway tunnels.