Mechanisms of cesium incorporation and thermal stability in sodalite.

The immobilization of radioactive cesium (Cs) within sodalite frameworks is a critical challenge in nuclear waste management. This study employs density functional theory and molecular dynamics simulations to investigate the structural evolution, thermodynamic stability, and bonding mechanisms of Cs-incorporated sodalite (NaCsAlSiOCl, 0 ≤ ≤ 8). Formation energy calculations reveal a concentration-dependent preference for Cs substitution, with a minimum of 0.

Screening, UV Mutagenesis, and Exploration of Enzymatic Degradation Mechanisms in the Highly Efficient Polyurethane-Degrading Bacillus sp. J-11.

Aims: This research aims to screen and identify a microbial strain capable of efficiently degrading waterborne polyurethane used in the biomedical field. Furthermore, the research seeks to enhance the strain's degradation capability through ultraviolet mutagenesis and elucidate its enzymatic degradation mechanism.

Methods And Results: We successfully isolated the target strain from the soil sample and identified it as Bacillus sp.

Radiographic parameters and feasibility analysis of dual sacral-2 alar-iliac screw fixation using three-dimensional digital technology.

Objective: The purpose of this study was to evaluate the feasibility and the trajectories of dual sacral-2 alar-iliac (S2AI) screw fixation with three-dimensional digital technology simulation analysis.

Methods: The pelvic computed tomography scan data of 60 (30 men and 30 women, age: 25-86 years) individuals were selected and reconstructed. The trajectories of dual S2AI screws were plotted using three-dimensional reconstruction software.

In vivo Pharmacokinetic Interactions Between Palbociclib and Rivaroxaban or Apixaban: Implications for Increased Drug Exposure and Dose Adjustments.

Background: Apixaban and rivaroxaban are oral direct factor Xa inhibitors, primarily eliminated through CYP3A4-mediated metabolism and direct intestinal excretion. Previous studies suggest that palbociclib, a CDK4/6 inhibitor, may increase the systemic exposure of these anticoagulants; however, the specific pharmacokinetic mechanisms remain unclear. This study aims to evaluate the effects of palbociclib on the pharmacokinetics of apixaban and rivaroxaban using a rat model to optimize combined drug regimens.

PRANCE: Joint Token-Optimization and Structural Channel-Pruning for Adaptive ViT Inference.

The troublesome model size and quadratic computational complexity associated with token quantity pose significant deployment challenges for Vision Transformers (ViTs) in practical applications. Despite recent advancements in model pruning and token reduction techniques speed up the inference speed of ViTs, these approaches either adopt a fixed sparsity ratio or overlook the meaningful interplay between architectural optimization and token selection. Consequently, this static and single-dimension compression often leads to pronounced accuracy degradation under aggressive compression rates, as they fail to fully explore redundancies across these two orthogonal dimensions.

Dynamic Relevance Between Reflux Events and Esophageal Motility in Patients With Proton Pump Inhibitor-Refractory Gastroesophageal Reflux Disease.

Objectives: The association between reflux events and esophageal motility abnormality is unclear. We aimed to determine the relevance between reflux events and esophageal motility in proton pump inhibitor (PPI)-refractory gastroesophageal reflux disease (GERD).

Methods: Patients with PPI-refractory or PPI-responsive GERD were enrolled.

Quantitative assessment of lumbar intervertebral disc degeneration and its correlation with clinical symptoms: a study utilizing ultrashort time-of-echo and T2 mapping as biomarkers.

Background: Lumbar cartilage endplate (CEP) structures show low signal intensity on conventional magnetic resonance imaging (MRI), making them hard to observe and quantify. This often results in poor correlation between conventional MRI findings and low back pain (LBP) symptoms and provides inadequate guidance for clinical decisions.

Methods: The study included Twenty-five healthy volunteers and forty-one patients with LBP.

"Twisted" Terpolymer Donor Enabling High-Performance Intrinsically Stretchable Organic Solar Cells.

Intrinsically stretchable organic solar cells (is-OSCs) hold great potential for next-generation wearable power generators. Currently, high-efficiency polymeric donor materials are based on rigid planar conjugated backbones, which limits their mechanical robustness and creates a trade-off between photovoltaic performance and stretchability. To simultaneously improve the power conversion efficiency (PCE) and mechanical robustness of is-OSCs, we develop a series of ductile PM-BOX% terpolymers by incorporating different amounts (X = 5, 10, and 20) of 3-butyloctyl-thiophene (ThBO) units into PM6 backbone.

Computational Exploration of Polymer Mechanochemistry: Quantitation of Activation Force and Systematic Discovery of Reaction Sites by the Extended Artificial Force-Induced Reaction Method.

A collection of mechanophores was computationally studied using the extended artificial force induced reaction (EX-AFIR) method, which utilizes two different sets of forces to determine the activation force level () practically and efficiently. Identifying a mechanophore's is a focus of mechanochemistry. As have been done in an existing framework, we generated the Δ- curve, where is the value of external force and Δ denotes the force-coupled free energy barrier of a specific reaction under .

Magnetic Field-Driven Interface Hydroxylation via the Vibrational Stark Effect Boosts Alkaline Hydrogen Evolution Reaction.

Tuning interfacial water structures is a fundamental yet underexplored strategy for advancing the hydrogen evolution reaction (HER) and broader electrocatalytic processes. Here, we demonstrate a universal and scalable catalytic optimization strategy via the magnetic field-driven reconfiguration of interfacial water at the molecular level. Unlike conventional magnetohydrodynamic (MHD) strategies focusing on mass transport, this work pioneers a molecular-level interfacial water structure modulation via the vibrational Stark effect (VSE), achieving intrinsic catalytic enhancement for HER.

Cosmic Blueprint to Nanoscale Design: Hoag's Object-Like Polyoxovanadate Encapsulated by a Hierarchical Silver Nanocluster.

The pervasive presence of toroidal architectures across scales, from molecular assemblies to cosmic formations, reveals a universal design principle that integrates aesthetic symmetry with functional topology in nature. Yet, constructing such hierarchical toroidal organization at the nanoscale, particularly for metal nanoclusters, remains an unmet challenge. We present an unprecedented wheel-shaped silver nanocluster, [(VO⊂VO)@Ag(BuPhC≡C)(SO)(DMF)] (), encapsulating an unparalleled hierarchical toroidal [VO⊂VO] polyoxovanadate (POV).

Compact accelerator-based production of carrier-free Lu from 18 MeV on [Yb] .

Background: Recent EMA and FDA approvals of Lu-DOTATATE and Lu-PSMA-617 have led to increased demand for radiotherapeutic Lu, due to its promising potential to treat castration-resistant neuroendocrine cancers. Conventional reactor production methods pose challenges related to cost, waste management, and local availability. In comparison, accelerators produce less waste, have lower maintenance costs, and can be directly integrated into hospital settings.

Automated psoas muscle segmentation: imaging features and surgical fitness in spinal metastatic lung cancer.

Objectives: Lung cancer's propensity for spinal metastasis leads to fractures, dysfunction, pain, and reduced quality of life. Spinal interventions are selectively offered to patients deemed fit for surgery. Sarcopenia, assessed by psoas muscle (PM) and whole-abdominal muscle (WAM) measurements, is proposed as a fitness marker, but consensus on thresholds and segmentation tools is lacking.

Comparison of the effects of zoledronic acid versus denosumab on bone metabolism, inflammatory response, and immunoglobulins in breast cancer patients with bone metastases.

Background: This study aimed to compare the effects of Zoledronic Acid (ZA) versus Denosumab (DEN) on bone metabolism, inflammatory response, and immunoglobulins in breast cancer (BC) patients with bone metastases.

Methods: The potential study population consisted of 163 patients with bone metastases BC admitted from May 2023 to June 2024. Through propensity score matching (PSM), 122 patients were included, with 61 patients in the ZA group (treated with ZA) and 61 patients in the DEN group (treated with DEN).

Natural Tooth Count and Sleep Quality in Older Adults: The Mediating Effect of Temporomandibular Joint Pain.

Purpose: The study aimed to explore the relationship between tooth count and sleep quality and duration in the elderly, investigating the potential mediating role of temporomandibular joint (TMJ) pain in this relationship.

Methods: Using data from the China Health and Longevity Longitudinal Survey (CLHLS), a cohort analysis was conducted on 5941 older Chinese adults. Multivariate linear regression and mediation analysis were applied to assess the associations, adjusting for sociodemographic factors, health behaviours, and comorbidities.

Femtosecond-Laser Synthesized PtBi Nanoalloys for Efficient Methanol Oxidation in Hybrid Electrolysis.

Hydrogen production through electrochemical seawater splitting is challenged by the energy-intensive oxygen evolution reaction and the competing chlorine evolution reaction. To overcome these obstacles, ligand-free platinum bismuth (PtBi) alloy nanoparticles (≈2 nm) are synthesized via femtosecond laser liquid ablation under nonequilibrium conditions, yielding metastable structures with tunable elemental compositions populated with defects. The PtBi/C catalyst excels in alkaline methanol oxidation reaction (MOR), delivering a mass activity of 17.

Performance of heavy metals in the intertidal zone surface sediments of the Yellow River Estuary under water-sediment regulation scheme.

This study investigates the distribution, sources, and ecological risks of heavy metals (Cr, Cu, Zn, Cd, Pb, and Hg) and metalloid (As) in surface sediments of the Yellow River Estuary intertidal zone during the 2023 water-sediment regulation scheme (WSRS) period (summer) and the non-WSRS period (autumn). The results revealed that metal accumulation in both periods was primarily controlled by the co-adsorption of organic matter and fine particles. Hydrodynamic enhancement during the WSRS period reduced metal accumulation through sediment flushing and dilution, whereas weakened flows in the non-WSRS period promoted metal buildup.

Contrast-enhanced ultrasound radiomics model for predicting axillary lymph node metastasis and prognosis in breast cancer: a multicenter study.

Objective: To construct a multimodal ultrasound (US) radiomics model for predicting axillary lymph node metastasis (ALNM) in breast cancer and evaluated its application value in predicting ALNM and patient prognosis.

Methods: From March 2014 to December 2022, data from 682 breast cancer patients from four hospitals were collected, including preoperative grayscale US, color Doppler flow imaging (CDFI), contrast-enhanced ultrasound (CEUS) imaging data, and clinical information. Data from the First Medical Center of PLA General Hospital were used as the training and internal validation sets, while data from Peking University First Hospital, the Cancer Hospital of the Chinese Academy of Medical Sciences, and the Fourth Medical Center of PLA General Hospital were used as the external validation set.

Experimental study of hydrochemical and microbial community characteristics during CO-water-mineral interactions.

Water resources are the foundation for human survival and development. Identifying the mechanisms of water resource evolution is a prerequisite for achieving water resource regulation and promoting regional sustainable development. The vadose zone is an important site for the water cycle and plays a significant role in the transformation of atmospheric precipitation into groundwater.

Supramolecular Confinement of Cyclodextrin-Like Host-Guest Polyoxovanadate in Giant Ag Nanoclusters.

Although polyoxovanadates (POVs) and their silver nanocluster composites have attracted significant research attention owing to their remarkable structural diversity and multifunctional properties, the mechanistic interplay between their dual chemical roles-serving simultaneously as host matrices in supramolecular architectures and as structural templates directing silver nanocluster (Ag NC) assembly-remains insufficiently understood. Herein, we systematically optimized the condensation of {VO} (x = 4, 5) tetrahedra or square pyramids around simple anions (S and SO ) to tailor two distinct host-guest cyclodextrin-like POV supermolecules: [S@VO] and [SO@VO]. Remarkably, these two cyclic POVs were generated in situ and have never been observed before, either in vanadate chemistry or in silver nanoclusters, representing a new category of POV condensation species.

Photoplethysmogram (PPG)-Based Biometric Identification Using 2D Signal Transformation and Multi-Scale Feature Fusion.

Using Photoplethysmogram (PPG) signals for identity recognition has been proven effective in biometric authentication. However, in real-world applications, PPG signals are prone to interference from noise, physical activity, diseases, and other factors, making it challenging to ensure accurate user recognition and verification in complex environments. To address these issues, this paper proposes an improved MSF-SE ResNet50 (Multi-Scale Feature Squeeze-and-Excitation ResNet50) model based on 2D PPG signals.

Conformation-Dependent Binding Affinity of Small Molecules to Aβ42 Fibrils: Mechanistic Insights into Tracer Design.

The β-amyloid (Aβ) deposits in Alzheimer's disease (AD) are primarily composed of Aβ42-derived fibrils, and Aβ42 fibrils exhibit polymorphism with diverse molecular structures. While small-molecule-based targeting strategies have achieved phased progress in AD diagnosis and treatment, the distribution and quantity of binding sites on Aβ42 fibrils, as well as the dynamic interaction mechanisms between these sites and different tracers, remain unclear. Additionally, the binding efficacy of small molecules to Aβ42 fibrils with distinct structures and their conformational dependence have not yet been elucidated.

Visible-Light Catalyzed Desulfurative Cyclization for Synthesis of 3-Amino-[1,2,4]-triazolo Pyridine.

In this study, we developed a visible light-mediated catalytic system to facilitate the cyclization-desulfurization reaction between 2-hydrazinopyridine and isothiocyanate, enabling the direct synthesis of 3-amino-[1,2,4]-triazolopyridine derivatives through a one-pot method. This protocol allows for the efficient preparation of target products under mild and environmentally friendly conditions utilizing visible light irradiation and demonstrates good compatibility with various functional groups at room temperature. The gram-scale experiment further verified the potential of this method for industrial applications.

All-fiber generation and Poincaré sphere representation of double superposition states of OAM modes.

This paper proposes a hybrid-order orbital angular momentum Poincaré sphere to refine the representation of high-order spatial modes. The orbital angular momentum Poincaré sphere is extended to a more general form. Benefiting from the degenerate case of the hybrid-order Poincaré sphere, this new Poincaré sphere is both complete and intuitive, enabling the guided generation of vector light fields.

Effective control of conductivity in lutetium orthoferrite with cobalt doping measured by terahertz time-domain spectroscopy.

The effective control of conductivity in LuFeO (LFO) with Co doping is explored by terahertz (THz) time-domain spectroscopy. It is demonstrated that the conductivity of 5% Co-doped LFO (LFO:Co 5%) is lower than that of LFO, while that of 15% Co-doped LFO (LFO:Co 15%) is significantly higher than LFO. Furthermore, LFO exhibits two lattice vibration peaks at 0.