This study developed a high-precision deep potential (DP) model based on density functional theory (DFT) and the DP-GEN workflow to efficiently simulate the microscopic structures and thermophysical properties of LiF-NaF-KF molten salt systems with varying compositions. Through iterative optimization of the training data set using the DP-GEN active learning strategy, our DP model demonstrated excellent agreement with DFT calculations in predicting energies, forces, and stresses. Leveraging this model, we systematically investigated the local structures and properties of 22 FLiNaK molten salt compositions, including radial distribution functions (RDFs), coordination numbers (CNs), density (ρ), heat capacity (), self-diffusion coefficients (SDCs), electrical conductivity, and shear viscosity.
View Article and Find Full Text PDFThe hazard of diethylstilbestrol (DES) towards human health underscored the imperative for highly sensitive and rapid analytical technologies. Herein, a molecularly imprinted electrochemical sensor (MIECS) was innovatively constructed by incorporating the Pt nanoparticles (PtNPs)-decorated MXene/NH-UiO-66 into molecularly imprinted polymer (MIP/MXene/NH-UiO-66/PtNPs) for ultra-sensitive and rapid detection of DES. The introduction of NH-UiO-66 effectively prevented the restacking of MXene and with the synergistic effect of PtNPs, the electrical conductivity of the sensor was significantly enhanced.
View Article and Find Full Text PDFMotor imagery (MI)-based neurorehabilitation shows promise for intracerebral hemorrhage (ICH) recovery, yet conventional unimodal brain-computer interfaces (BCIs) face critical limitations in cross-subject generalization. This study presents a multimodal electroencephalography (EEG)-functional near-infrared spectroscopy (fNIRS) fusion framework incorporating a Wasserstein metric-driven source domain selection method that quantifies inter-subject neural distribution divergence. Through comparative neuroactivation analysis of 17 normal controls and 13 ICH patients during MI tasks, the transfer learning model achieved 74.
View Article and Find Full Text PDFZhongguo Dang Dai Er Ke Za Zhi
August 2025
Objectives: To investigate the effects of hyperoxia on the expression of N-methyl-D-aspartate receptor 1 (NMDAR1) and its synapse-associated molecules, including cannabinoid receptor 1 (CB1R), postsynaptic density 95 (PSD95), and synapsin (SYN), in the hippocampus of neonatal rats.
Methods: One-day-old Sprague-Dawley neonatal rats were randomly divided into a hyperoxia group and a control group (=8 per group). The hyperoxia group was exposed to 80% ± 5% oxygen continuously, while the control group was exposed to room air, for 7 days.
RuO currently serves as a highly advantageous catalyst for water electrolysis. Nonetheless, unstable hypervalent Ru species during the oxidation process can lead to catalyst inactivation. Herein, we report the successful construction of pentavalent uranium-regulated U-Co-Ru ternary oxide with alterable valence states and stable coordination.
View Article and Find Full Text PDFBackground: Despite advancements in clinical treatment modalities, immune-related molecular mechanisms underlying bladder cancer remain unclear. Therefore, this study aimed to identify immune-related biomarkers and potential therapeutic targets for bladder cancer, thereby contributing to the development of novel therapeutic interventions.
Methods: By integrating data from The Cancer Genome Atlas (TCGA), Gene Expression Omnibus (GEO), and genome-wide association study (GWAS) databases, combined with differential expression analysis, weighted gene co-expression network analysis (WGCNA), and Mendelian randomization analysis, key immune-related genes in bladder cancer were identified.
Int J Biol Macromol
September 2025
Millet starch is one of the most dominant components of millet and is essential to understand how fermentation can be applied to improve the quality of traditional millet starch-based foods. Fermentation has long been an important method for cereal food processing and remains an effective approach for starch modification. This study aimed to investigate the impact of probiotic fermentation (Pediococcus acidilactici) on the structural and physicochemical properties of millet starch.
View Article and Find Full Text PDFThe selective removal of thorium (Th) from rare earth element (REE)-associated mineral leachates is essential for improving REE utilization and mitigating radioactive hazards. However, high concentrations of competing metal ions and the lack of environmentally friendly separation strategies make Th(IV) recovery challenging. Here, we report a biomimetic phosphatization approach using nano zero-valent iron (ZVI) and phosphoric acid to construct phosphate-coordinated surfaces for selective Th immobilization.
View Article and Find Full Text PDFBioinformatics
July 2025
Motivation: Biomedical knowledge graphs (KGs) are crucial for drug discovery and disease understanding, yet their completion and reasoning are challenging. Knowledge embedding (KE) methods capture global semantics but struggle with dynamic structural integration, while graph neural networks (GNNs) excel locally but often lack semantic understanding. Even ensemble approaches, including those leveraging language models, often fail to achieve a deep, adaptive, and synergistic co-evolution between semantic comprehension and structural learning.
View Article and Find Full Text PDFThis study characterized the flavor profile of Huangjiu brewed with Polygonatum sibiricum and Broomcorn millet (HJMHJ) using headspace solid phase microextraction-comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (HS-SPME-GC × GC-TOF-MS), gas chromatography-ion mobility spectrometry (GC-IMS) and intelligent sensory technologies. The results identified six volatile compounds (isobutyric acid, dibutyl phthalate, α-terpineol, β-damascenone, 2-pentyl-furan and γ-nonalactone) as the key aroma compounds. Metabolic network analysis revealed that glycolysis plays a crucial role in Huangjiu metabolism.
View Article and Find Full Text PDFCrit Rev Food Sci Nutr
June 2025
The frequent occurrence of food safety incidents has aroused widespread public concern all over the world. The detection of trace hazards in food is an important means to ensure public safety. The results of single-signal sensing assays are susceptible to complex sample matrix, environment and operating conditions to obtain inaccurate test results.
View Article and Find Full Text PDFJ Chromatogr B Analyt Technol Biomed Life Sci
September 2025
Proteoforms, structurally distinct yet closely related protein isoforms, play a pivotal role in biopharmaceutical development, directly influencing therapeutic efficacy, safety, and stability. These molecular variants arise from genetic polymorphisms, alternative splicing, and post-translational modifications, necessitating advanced analytical techniques for precise characterization. Imaged capillary isoelectric focusing (icIEF) coupled with mass spectrometry (MS) has become a powerful high-resolution tool for resolving and identifying proteoforms in complex biopharmaceutical samples.
View Article and Find Full Text PDFIn this study, an innovative operando characterization methodology utilizing synchrotron radiation X-ray micro-computed tomography (SR-µCT) and high-energy X-ray diffraction (HEXRD) to investigate dendritic electrodeposition in high-temperature molten salt (HTMS) electrochemistry is presented. This approach enables the in-situ visualization and quantification of uranium dendrite growth and ion diffusion dynamics during the electrochemical reaction of LiCl-KCl-UCl molten salt. Through 3D reconstruction of uranium dendrite imaging and multiphysics simulations of the uranium electrolysis process, the underlying mechanisms of uranium dendrite formation are elucidated.
View Article and Find Full Text PDFRestoring tracheal defects remains a significant challenge in tissue engineering and regenerative medicine. Current scaffolds fall short of achieving optimal tracheal repair due to unmatched mechanical properties and limited anti-inflammatory properties. In this study, we incorporated the natural plant-derived anti-inflammatory molecule Xanthohumol (XN) into the backbone of a degradable polyurethane (PEUU) to create a porous PEXUU scaffold with tailorable mechanical properties and sustained anti-inflammatory activity.
View Article and Find Full Text PDFObjective: Endocrine therapy is an essential treatment to improve disease-free and overall survival in patients with hormone receptor-positive breast cancer. However, symptoms associated with endocrine therapy severely affect patients' quality of life and medication adherence. To inform symptom management strategies, this study systematically reviews research on patients' symptom experiences and coping strategies during endocrine therapy.
View Article and Find Full Text PDFItal J Pediatr
June 2025
Background: Continuous renal replacement therapy (CRRT) plays a pivotal role in delivering renal support to critical patients with acute kidney injury (AKI). However, administering CRRT to extremely low birth weight (ELBW) infants, defined as those with a birth weight under 1000 g, presents distinct challenges. We summarized our experiences of the ELBW infants who were treated with CRRT at a tertiary medical center in China, and evaluated its feasibility and safety in this group of patients.
View Article and Find Full Text PDFAiming at the position tracking control problem of flexible jointed manipulator in the uncertainties and external disturbances, this paper proposes an integrated nonlinear disturbance observer (NDOB) and a non-singular fast terminal sliding mode (NFTSM) control method based on adaptive exponential reaching law (AERL). The NDOB is designed to ensure that the time-varying disturbance is suppressed in finite time. The AERL is designed to improve the track tracking speed and reduce the chattering of the control input.
View Article and Find Full Text PDFUnlabelled: ABS: OBJECTIVE: This study aimed to compare the performance of three large language models (LLMs)-ChatGPT-3.5, ChatGPT-4, and Open AI-o1-in addressing clinical questions related to Programmed Cell Death in multiple myeloma. By evaluating each model's accuracy, comprehensiveness, and self-correcting capabilities, the investigation sought to determine the most effective tool for supporting clinical decision-making in this specialized oncological context.
View Article and Find Full Text PDFSpatially resolved in vivo CRISPR screening integrates gene editing with spatial transcriptomics to examine how genetic perturbations alter gene expression within native tissue environments. However, current methods are limited to small perturbation panels and the detection of a narrow subset of protein-coding RNAs. We present Perturb-DBiT, a distinct and versatile approach for the simultaneous co-sequencing of spatial total RNA whole-transcriptome and single-guide RNAs (sgRNAs), base-by-base, on the same tissue section.
View Article and Find Full Text PDFObjective: To compare the efficacy of mirabegron and doxazosin in alleviating ureteral stent-related symptoms and sexual dysfunction.
Method: This study included 107 patients who provided informed consent and underwent transurethral ureteral lithotripsy with ureteral stent placement between January 2023 and December 2023. Patients were randomized into two groups receiving either mirabegron (50 mg/day) or doxazosin (4 mg/day).
Background: Neoadjuvant immunochemotherapy (neoICT) is not currently recommended for patients with stage II-IIIB non-small cell lung cancer (NSCLC) harboring oncogenic driver mutations, especially tyrosine kinase inhibitor-sensitizing epidermal growth factor receptor (EGFR) or anaplastic lymphoma kinase (ALK). This study aimed to compare the pathologic response and survival outcomes between neoICT and neoadjuvant chemotherapy (neoChT) in patients with stage II-IIIB NSCLC harboring driver mutations beyond EGFR exon 19 deletion (19del), exon 21 L858R, and ALK rearrangement.
Methods: Patients with stage II-IIIB NSCLC harboring driver mutations (EGFR 20ins/EGFR G719X/KRAS/BRAF/c-MET/HER-2/ROS1/RET/PIK3CA) who underwent neoICT or neoChT followed by curative-intent resection were retrospectively enrolled between November 2019 and August 2023.
Background: CT images and circulating tumor cells (CTCs) are indispensable for diagnosing the mediastinal lesions by providing radiological and intra-tumoral information. This study aimed to develop and validate a deep multimodal fusion network (DMFN) combining CTCs and CT images for the multi-classification of mediastinal lesions.
Methods: In this retrospective diagnostic study, we enrolled 1074 patients with 1500 enhanced CT images and 1074 CTCs results between Jan 1, 2020, and Dec 31, 2023.
Kidney fibrosis determines clinical outcomes in individuals with chronic kidney disease (CKD). The stoichiometric ratio of collagens in renal scar differs from that of healthy kidney extracellular matrix (ECM), but the functional importance of altered collagen types in injured kidneys remains unclear. Using human population studies, we show that circulating protein and renal mRNA amounts of collagen V A1 (COL5A1) exhibited associations with kidney disease and incident CKD risk.
View Article and Find Full Text PDFSuspension cells, particularly 293F cells, are widely used for the production of therapeutic proteins, antibodies, virus-like particles (VLPs) for vaccines, and viral vectors for gene and cell therapies. However, DNA-encapsulated polyplexes typically exhibit poor interaction with the cellular membrane of suspension cells, resulting in low cellular uptake and transfection efficiency, which underscores the need for the development of more effective gene delivery systems for suspension cells. Molecular weight (MW) and topological structure are two of the most critical structural parameters that indicate the gene transfection performance of highly branched-linear poly(β-amino ester)s (H-LPAEs).
View Article and Find Full Text PDFMetabolites
February 2025
Background: β-cypermethrin (β-CYP) exhibits high toxicity to aquatic organisms and poses significant risks to aquatic ecosystems. , a protozoa widely distributed in aquatic environments, can tolerate high concentrations of β-cypermethrin. However, the comprehensive detoxification mechanisms remain poorly understood in .
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