Research status of small molecule inhibitors, probes, and degraders of NSDs: a comprehensive review.

The nuclear receptor binding SET domain (NSD) family of histone methyltransferases, which comprised NSD1, NSD2, and NSD3. They play a pivotal role in catalyzing mono- and dimethylation of histone H3 at lysine 36 (H3K36me1/2), a modification critical for maintaining chromatin structure and transcriptional fidelity. Dysregulation of NSD enzymes, often through overexpression, mutation, or chromosomal translocation, has been implicated in a broad spectrum of malignancies and various diseases.

Advances and Challenges in Machine Learning for RNA-Small Molecule Interaction Modeling: Review.

RNA plays a pivotal role in biological processes such as gene expression regulation and protein synthesis. Targeting RNA with small molecules offers a novel therapeutic strategy for various diseases by directly modulating these processes. However, the structural diversity and complexity of RNA pose significant challenges for experimentally characterizing RNA-small molecule interactions.

Discovery of Potential GPRC5D Inhibitors through Virtual Screening and Molecular Dynamics Simulations.

G protein-coupled receptor family C, group 5, member D (GPRC5D), a member of the G protein-coupled receptor (GPCR) family, has recently emerged as a promising target for immunotherapy in hematologic malignancies, particularly multiple myeloma. However, no systematic virtual screening studies have been conducted to identify small-molecule inhibitors targeting GPRC5D. To address this gap, a multistep computational screening strategy is developed that integrates Protein-Ligand Affinity prediction NETwork (PLANET), a GPU-accelerated version of AutoDock Vina (Vina-GPU), molecular mechanics/generalized born surface area (MM/GBSA), and an online tool for Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) property prediction (admetSAR 3.

Hydrogel integrated ion channels in porous membrane for stabilizing zinc anode of aqueous zinc-ion batteries.

Aqueous zinc ion batteries (AZBs) are characterized by high capacity, environmental friendliness and low cost. However, the dendrites and parasitic reactions (e.g.

In situ synthesis of coral-like ε-MnO by ozone for efficient ozone decomposition across varied humidity environments.

MnOx-based materials have attracted significant attention for ozone decomposition due to their excellent catalytic activity. However, improving their stability and water resistance under humid conditions remains a major challenge. In this work, a K-doped ε-MnO catalyst was synthesized in situ using ozone as an oxidant.

Synergistic Enhancement of Band Gap and Optical Anisotropy via Functional-Site Cosubstitution in Antiperovskite-Type Chalcohalides [BaK][X][MS] (M = Ge, Si; X = Cl, Br).

The advancement of infrared (IR) birefringent crystals has been persistently constrained by the mutually exclusive relationship between high Δ and wide bandgap () in traditional chalcogenides. Herein, we report the rational design and successful synthesis of antiperovskite-type chalcohalides [BaK][X][MS] (M = Ge, Si; X = Cl, Br) employing a functional-site cosubstitution strategy, where [Ba][S][GeS] was utilized as the prototype compound. Notably, the title compounds achieve a substantial improvement over the parent material [Ba][S][GeS], with Δ values increasing from 0.

Effective virtual screening strategy toward JAK3 covalent inhibitors: combining multi‑conformational consensus calculation with covalent docking.

Accumulating studies have demonstrated that the overactivation of Janus kinase 3 (JAK3) is closely associated with various inflammatory diseases, establishing it as a potential drug target for the treatment of autoimmune and inflammatory disorders. However, the high homology among kinase structures results in poor selectivity for existing JAK3 inhibitors. The approval of the JAK3 covalent inhibitor ritlecitinib has positioned the development of covalent inhibitors as an effective strategy for enhancing JAK3 selectivity.

Discovery and Characterization of Novel FGFR1 V561M Inhibitors via Virtual Screening and Molecular Dynamics Simulations.

The FGFR1 V561M mutation significantly reduces the efficacy of current FGFR1 inhibitors, creating an urgent need for targeted second-generation therapies. In this study, we developed a comprehensive virtual screening protocol that combines energy-based screening and machine learning techniques, leading to the identification of a novel compound, . This compound exhibited potent inhibitory activity against FGFR1 V561M with an IC of 90.

A wearable multi-parameter electrochemical detection and signal processing system for real-time sweat analysis.

This study presents a wearable multi-parameter electrochemical detection system (WMEDS) designed for the simultaneous monitoring of sweat biomarkers. The system integrates a microcontroller, a dual-mode signal acquisition circuit, and a low-power Bluetooth module. To address the non-stationary electrochemical signals, a preprocessing approach combining Savitzky-Golay filtering with Z-score-difference detection is employed.

Impacts of virtual reality-aided physical training on the balance ability and energy expenditure of children with moderate intellectual disability.

Aim/objective: To investigate the impact of Virtual Reality (VR)-aided training on balance ability, energy expenditure, and tennis learning outcomes in children with moderate intellectual disabilities.

Materials And Methods: Participants were assigned to either a VR-aided training group (experimental) or a traditional training group (control). Balance ability and energy expenditure were assessed using intelligent algorithms, while a custom questionnaire measured tennis learning interest, performance, and motivation.

ANSYS-Based Modeling and Simulation of Electrostatic Oil-Line Sensor.

Mechanical components are more difficult to detect at the initial state of failure. To solve this problem, this paper models and simulates the characteristics of an electrostatic oil-line sensor (OLS) wear particles carried in the lubricating oil path are detected. In this study, an OLS that monitors the charge in an oil line using the principle of electrostatic induction is modeled and simulated.

Effect of Plate Thickness on Residual Stress Distribution of GH3039 Superalloy Subjected to Laser Shock Peening.

To accurately assess the effect of different plate thicknesses on the residual stress field of laser shock peened GH3039 superalloy, residual stress measurements were performed on GH3039 alloy plates with thicknesses of 2 mm and 5 mm after laser shock peening (LSP) treatment. Both quasi-static and high strain rate mechanical tests of GH3039 were conducted, and the Johnson-Cook (J-C) constitutive equation for GH3039 alloy at specific strain rates was fitted based on the experimental results. To obtain the parameter in the J-C constitutive equation of GH3039 alloy under ultra-high strain rates, a modified method was proposed based on LSP experiment and finite element simulation results.

HSPC-Net: A hierarchical shape-preserving completion network for machine part point cloud completion.

With the continuous advancement of 3D scanning technology, point cloud data of mechanical components has found widespread applications in industrial design, manufacturing, and repair. However, due to limitations in scanning precision and acquisition conditions, point cloud data often exhibit sparsity and missing information. This issue is particularly challenging when dealing with mechanically complex geometric shapes, where the missing portions frequently contain crucial details, posing significant difficulties for data completion.

Parametric Optimization Design Method for Friction Plates of Hydro-Viscous Clutches.

The hydro-viscous clutch (HVC) operates based on the theory of liquid viscous transmission, using viscous fluid as the working medium to transmit power through the shearing force of the oil film between friction plates. The groove structure on the friction plates directly affects the torque transmission capacity and rise in the shear-induced temperature of the oil film. Therefore, designing friction plate structures that balance efficient torque transmission and low temperature rise is of great significance.

MESM: integrating multi-source data for high-accuracy protein-protein interactions prediction through multimodal language models.

Background: Protein-protein interactions (PPIs) play a critical role in essential biological processes such as signal transduction, enzyme activity regulation, cytoskeletal structure, immune responses, and gene regulation. However, current methods mainly focus on extracting features from protein sequences and using graph neural network (GNN) to acquire interaction information from the PPI network graph. This limits the model's ability to learn richer and more effective interaction information, thereby affecting prediction performance.

Optimization and performance study of large aspect ratio SiC microgrooves by waterjet assisted laser machining.

Silicon carbide (SiC) ceramics hold significant application value in high-end fields such as semiconductors and aerospace due to their exceptional mechanical properties and thermal stability. Large-aspect-ratio (LAR) microgrooves in ceramics are crucial for enabling advanced functionalities in various applications, including microfluidic devices, microelectromechanical systems (MEMS), and thermal management systems, where precise control over fluid flow, structural integrity, and heat dissipation is required. However, their extreme hardness poses challenges for traditional mechanical machining, including low efficiency and severe tool wear, while laser machining is prone to defects such as heat-affected zones and recast layers.

Activation of peroxymonosulfate for enhanced antibiotic removal using OVs-CoO/FeO: Synergistic modulation of heterostructure and oxygen vacancy.

To broaden the applicability of permonosulfate-based advanced oxidation processes (PMS-AOPs) for promising new pollutants removal, challenges such as limited active site exposure and rate-limiting steps in metal redox cycling should be well addressed. In this work, oxygen vacancies (OVs)-rich CoO/FeO (1:1) with heterostructures was designed to activate peroxymonosulfate (PMS) for tetracycline (TC) degradation. It was found that the heterostructured CoO/FeO (1:1) achieved a TC degradation efficiency of 99.

Passive leakage dominates cadmium-induced release of dissolved extracellular organic matters from Chlorella vulgaris.

The production of microalgal dissolved extracellular organic matter (dEOM) is environmentally significant, yet the mechanism of its release under heavy metal stress remains unclear. In this study, Chlorella vulgaris dEOM production was quantitatively analyzed under 0-25 mg/L Cd exposure across exponential-stationary phases. The results identified passive leakage as the dominant release mechanism across varying Cd levels, primarily stemming from: (1) cell division processes during exponential growth under both low and high stress, and (2) membrane damage under high stress from exponential to stationary phase.

Confined FeO-carbon dot catalyzed fabrication of hierarchical FeC/Fe-CNT catalysts for efficient oxygen reduction.

FeO-CDs confined within a ZIF crystal matrix prevent the aggregation of metal nanoparticles and facilitate the fabrication of FeC/Fe-CNT catalysts by one-step pyrolysis at 900 °C in the absence of a H atmosphere.

Flexible Memory Application of Nanoscale Ti-Ge-Te Thin Film as Information Storage Medium With Excellent Thermal Stability, Low Resistance Drift and Superior Bending Characteristic.

The flexible Ti-Ge-Te phase change material was proposed and fabricated by magnetron cosputtering method. The impact of titanium dopant and mechanical bending on the thermal stability, electrical resistance, surface morphology, microstructure, and crystallization mechanism of GeTe thin film are investigated systematically. With the incorporation of appropriate titanium dopant, the crystallization process and grain size of GeTe material can be hindered.

A photocatalytic and superhydrophobic self-cleaning nanocellulose-based membrane based on Cu-MOF for highly efficient oil/water separation, the removal of dyes and anti-biofouling towards sewage remediation.

Multifunctional superhydrophobic nanocellulose-based membranes for self-cleaning, oil/water separation, photocatalytic degradation, and anti-biofouling are in great demand for sewage treatment. This demand led to the in situ deposition of Cu-MOF micro/nanoparticles on the surface of CB membranes, followed by stearic acid (STA) modification to provide excellent superhydrophobicity, which enables effective oil/water separation, photocatalytic degradation, and anti-biofouling. The CB/Cu-MOF/STA membranes created in this manner demonstrated good superhydrophobicity with a water contact angle of 160 ± 2° and superoleophobicity with an oil contact angle of 0°.

Ligand Binding Prediction on Pharmaceutical and Nucleic Acid Targets by the CoDock Group in CASP16.

Ligand binding prediction is a critical component of structure-based drug design, gaining prominence in Critical Assessment of protein Structure Prediction (CASP) since its introduction in CASP15. In CASP16, the challenges expanded to include protein-ligand and nucleic acid-ligand binding predictions, alongside binding affinity ranking, posing greater computational and methodological demands. This study presents a sophisticated prediction strategy combining template-based docking, multiple receptor conformations, and AI-driven scoring to address these challenges.

Efficient lithium recovery from spent ternary lithium-ion batteries via sulfuric acid roasting: Reaction mechanisms and gas emission control.

The increasing demand for lithium-ion batteries (LIBs) has introduced significant challenges related to efficient and environmentally sustainable lithium recycling. Recovering cathode materials from spent LIBs via sulfuric acid roasting and subsequent leaching requires a comprehensive understanding of reaction mechanisms and gas emission behaviors to facilitate industrial application. In this study, thermodynamic calculations were conducted using HSC 6.

Research into performance optimization control strategy of a hydrostatic drive bulldozer based on the constant speed cruise.

Hydrostatic bulldozers, mainly medium- and low-horsepower machines, are widely used in engineering, and improving their fuel economy is crucial under the global push for energy conservation. To address the poor fuel economy of the bulldozer during repetitive, precision tasks or idle transfers, a performance optimization control strategy (POCS) based on constant speed cruise(CSC) is designed. This strategy achieves optimal overall machine efficiency under cruise control by adjusting the engine throttle and the displacement of the hydraulic pump and motor.

CPD-KD: a cooperative perception network for discrepancy feature fusion through knowledge distillation.

The environmental perception of intelligent connected vehicles is a new perception paradigm centered around roadside sensing devices and 5G wireless communication. This approach expands the perception range of onboard sensors from localized observation to a global view, significantly enhancing the accuracy of vehicle perception. Traditional perception algorithms often face issues in real-world datasets, such as blurriness of target features from the vehicle's perspective and loss of specific information when integrating vehicle and infrastructure features.