MMPD-DTA: Integrating Multi-Modal Deep Learning with Pocket-Drug Graphs for Drug-Target Binding Affinity Prediction.

Predicting drug-target binding affinity (DTA) is a crucial task in drug discovery research. Recent studies have demonstrated that pocket features and interactions between targets and drugs significantly improve the understanding of DTA. However, challenges remain, particularly in the detailed consideration of both global and local information and the further modeling of pocket features.

Postpartum haemorrhage following vaginal delivery: a comprehensive analysis and development of predictive models for aetiological subgroups in Chinese women.

Objectives: This study aimed to dissect the aetiological subgroups of postpartum haemorrhage (PPH) that occur after vaginal delivery in women with full-term singleton pregnancies. Our goal was to craft and validate predictive models to guide clinical decision-making and optimise resource allocation.

Design: A retrospective cohort study.

AlphaFold-Based AI Docking Reveals AMPK/SIRT1-TFEB Pathway Modulation by Traditional Chinese Medicine in Metabolic-Associated Fatty Liver Disease.

Metabolic-associated fatty liver disease (MAFLD) is a chronic, progressive disorder characterized by hepatic steatosis and excessive lipid accumulation. Its high global adult prevalence (approximately 50.7%), however, FDA-approved therapeutic drugs remains lacking.

Silencing of lncRNA Gm26917 Attenuates Alveolar Macrophage-mediated Inflammatory Response in LPS-induced Acute Lung Injury Via Inhibiting NKRF Ubiquitination.

The inflammatory response mediated by alveolar macrophages plays a crucial role in the development of acute lung injury. Numerous studies have reported that lncRNAs are highly expressed in acute lung injury in mouse models and cell lines, and acute lung injury (ALI) can be effectively alleviated by targeting these lncRNAs. The aim of this study was to explore the mechanism by LncRNA Gm26917 regulates the inflammatory response in alveolar macrophages during acute lung injury mouse model.

Effectiveness of non-pharmacological interventions to prevent enteral nutrition intolerance in ICU patients: A network meta-analysis.

Background: Enteral nutrition is beneficial for improving the clinical outcomes of intensive care unit patients. However, enteral nutrition intolerance is a common complication in intensive care unit patients undergoing enteral nutrition.

Aims: We aimed to assess the effectiveness of non-pharmacological interventions in preventing enteral nutrition intolerance in intensive care unit patients and to identify the optimal non-pharmacological interventions.

Electron-Donating Zr Induces Suppressed Ru Over-Oxidation and Accelerated Deprotonation Process Toward Efficient and Durable Water Electrolysis.

The scarcity of cost-effective and durable iridium-free anode electrocatalysts for the oxygen evolution reaction (OER) poses a significant challenge to the widespread application of the proton exchange membrane water electrolyzer (PEMWE). To address the electrochemical oxidation and dissolution issues of Ru-based electrocatalysts, an electron-donating modification strategy is developed to stabilize WRuO under harsh oxidative conditions. The optimized catalyst with a low Zirconium doping (Zr, 1 wt.

A Robust, Biodegradable, and Fire-Retardant Cellulose Nanofibers-Based Structural Material Fabricated from Natural Sargassum.

With increasing concern about the environmental pollution of petrochemical plastics, people are constantly exploring environmentally friendly and sustainable alternative materials. Compared with petrochemical materials, cellulose has overwhelming superiority in terms of mechanical properties, thermal properties, cost, and biodegradability. However, the flammability of cellulose hinders its practical application to a certain extent, so improving the fire-retardant properties of cellulose nanofiber-based materials has become a research focus.

Innovative strategies for designing and constructing efficient fuel cell electrocatalysts.

Polymer electrolyte membrane fuel cells (PEMFCs) are one of the most promising energy conversion devices due to their high efficiency and zero emission; however, two major challenges, high cost and short lifetime, have been hindering the commercialization of fuel cells. Achieving low-Pt or non-precious metal oxygen reduction reaction (ORR) electrocatalysts is one of the main research ideas in this field. In this review, the degradation mechanism of Pt-based catalysts is firstly explained and elucidated, and then five strategies are suggested for the reduction of Pt usage without loss of activity and durability: modulation of metal-support interactions, optimization of local ionomers and mass transport, modulation of composition, modulation of structure, and multi-site synergistic effects.

Effectiveness of different traditional Chinese medicine injections in patients with diabetic lower extremity arterial disease: A Bayesian network meta-analysis.

Background And Purpose: Numerous studies have demonstrated the effectiveness of Chinese medicine injections (CMIs) in treating diabetic lower extremity arterial disease (Dia-LEAD). However, with the variety of CMIs available, it has become challenging to determine the optimal choice for Dia-LEAD patients. This study aims to compare and rank the efficacy of CMIs for Dia-LEAD to provide references and evidence for clinicians in optimising drug selection.

A two-dimensional amorphous iridium-cobalt oxide for an acidic oxygen evolution reaction.

A two-dimensional (2D) amorphous iridium cobalt oxide (Am-IrCoO) was prepared using the molten salt method. The optimal catalyst shows a low overpotential of 230 mV at 10 mA cm in 0.5 M HSO.

FF-ATPase Biomolecular Motor: Structure, Motility Manipulations, and Biomedical Applications.

Biomolecular motors are dynamic systems found in organisms with high energy conversion efficiency. FF-ATPase is a rotary biomolecular motor known for its near 100% energy conversion efficiency. It utilizes the synthesis and hydrolysis of ATP to induce conformational changes in motor proteins, thereby converting chemical energy into mechanical motion.

Simulation of Spatial and Temporal Patterns of Suitable Wintering Habitat for Hooded Crane () Under Climate and Land Use Change Scenarios.

In the context of global warming and intensified human activities, the loss and fragmentation of species habitats have been exacerbated. In order to clarify the trends in the current and future suitable wintering areas for hooded cranes (), the MaxEnt model was applied to predict the distribution patterns and trends of hooded cranes based on 94 occurrence records and 23 environmental variables during the wintering periods from 2015 to 2024. The results indicated the following.

Prediction of mortality risk in patients with severe community-acquired pneumonia in the intensive care unit using machine learning.

The aim of this study was to develop and validate a machine learning-based mortality risk prediction model for patients with severe community-acquired pneumonia (SCAP) in the intensive care unit (ICU). We collected data from two centers as the development and external validation cohorts. Variables were screened using the Recursive Feature Elimination method.

Establishing the Link Between Oxygen Vacancy and Activity Enhancement in Acidic Water Oxidation of Trigonal Iridium Oxide.

Developing durable IrO2-based electrocatalysts with high oxygen evolution reaction (OER) activity under acidic condition is crucial for proton exchange membrane electrolyzers. While oxygen defects are considered potentially important in OER, their direct relationship with catalytic activity has yet to be established. In this study, we introduced abundant oxygen vacancies through Re doping in 2D IrO2 (Re0.

Interfacial Oxygen Vacancy-Copper Pair Sites on Inverse CeO/Cu Catalyst Enable Efficient CO Electroreduction to Ethanol in Acid.

Renewable electricity-driven electrochemical reduction of CO offers a promising route for the production of high-value ethanol. However, the current state of this technology is hindered by low selectivity and productivity, primarily due to a limited understanding of the atomic-level active sites involved in ethanol formation. Herein, we identify that the interfacial oxygen vacancy-neighboring Cu (O-Cu) pair sites are the active sites for CO electroreduction to ethanol.

Sexually dimorphic dopaminergic circuits determine sex preference.

Sociosexual preference is critical for reproduction and survival. However, neural mechanisms encoding social decisions on sex preference remain unclear. In this study, we show that both male and female mice exhibit female preference but shift to male preference when facing survival threats; their preference is mediated by the dimorphic changes in the excitability of ventral tegmental area dopaminergic (VTA) neurons.

Strong emissions and aerosol formation potential of higher alkanes from diesel vehicles.

Higher alkanes are a major class of intermediate volatile organic compounds (IVOCs) emitted by vehicles, which have been considered as important precursors of secondary organic aerosol (SOA) in urban area. Dynamometer experiments were conducted to characterize emissions from gasoline and diesel vehicles in China. Three types of higher alkanes, namely acyclic, cyclic, and bicyclic alkanes, were explicitly quantified through the novel proton transfer reaction time-of-flight mass spectrometer with NO ionization (NO PTR-ToF-MS) with time response of 1 second.

Anchorage Accurately Assembles Anchor-Flanked Synthetic Long Reads.

Modern sequencing technologies allow for the addition of short-sequence tags, known as anchors, to both ends of a captured molecule. Anchors are useful in assembling the full-length sequence of a captured molecule as they can be used to accurately determine the endpoints. One representative of such anchor-enabled technology is LoopSeq Solo, a synthetic long read (SLR) sequencing protocol.

Polymorphisms in genes related to inflammation and endothelial function are associated with ischemic stroke and other vascular events in populations at high risk of stroke.

Background: The association of genetic single-nucleotide polymorphisms (SNPs) related to endothelial function, inflammation, and their outcomes remains poorly studied.

Objectives: To evaluate the occurrence of ischemic stroke (IS) and other vascular events, and relationships between 19 SNPs in genes associated with endothelial function and inflammation with outcomes in a population at high risk of stroke.

Design: A prospective cohort study and multi-center community-based sectional survey.

Polysulfide Tandem Conversion for Lithium-Sulfur Batteries.

The electrocatalytic conversion of 16-electron multistep polysulfides is crucial for lithium-sulfur batteries, while it is hard to achieve compatibility between intricate sulfur reduction processes and appropriate catalysts. Herein, a tandem conversion strategy is reported to boost multi-step intermediate reactions of polysulfides transformation by designing an electrocatalyst featuring cobalt and zinc sites (Co/Zn), where the Zn serve as sites for the conversion of long-chain lithium polysulfides (LiPSs), promoting the transformation of S to LiS; the Co sites accelerate the kinetics of the subsequent reduction of LiS. This tandem catalysis method not only enhances the conversion of the initial reactants but also provides additional support for the intermediates, thereby facilitating subsequent reactions to maximize capacity.

Dose effect of corticosteroids on peripheral lymphocyte profiles in patients with systemic lupus erythematosus.

Objective: To investigate the dose effect of methylprednisolone (MP) on peripheral lymphocyte profiles in patients with systemic lupus erythematosus (SLE). This study investigated the impact of varied MP doses on peripheral lymphocyte subtypes in SLE patients.

Methods: We conducted a prospective study involving 51 SLE patients, categorized into four groups (40 mg/day, 80 mg/day, 500 mg/day, and 1000 mg/day) based on the administered MP dosage during hospitalization.

Preparation of porous carbon derived from a lignin-based polymer through ZnCl activation for effective capture of iodine.

Lignin-based porous carbon, a derivative of lignin, is acknowledged for its cost-effectiveness, stability, and environmental sustainability. It exhibits significant adsorption capacity for the removal of heavy metals and in wastewater treatment, rendering it a highly esteemed adsorbent material. However, the potential of lignin-derived porous carbon for the capture of iodine in environmental contexts has yet to be thoroughly investigated.

Toxicity of antimony in housefly after whole-life-cycle exposure: Changes in growth, development, redox homeostasis, mitochondrial function, and fecundity.

The increasing utilization of antimony (Sb) in manufacturing industries has led to the emergence of Sb contamination in the environment as a significant public health concern. To elucidate the toxicity of Sb and its mechanism of action, this study aimed to investigate the adverse effects of Sb on a cosmopolitan insect, housefly (Musca domestica), under a whole life cycle (from embryonic to adult stage) exposure through the examination of a suite of parameters, including biological, physiological, behavioral, and molecular endpoints. A range of Sb concentrations, including moderate contamination (0.

R(3780) Resonance Interpreted as the 1^{3}D_{1}-Wave Dominant State of Charmonium from Precise Measurements of the Cross Section of e^{+}e^{-}→Hadrons.

We report the precise measurements of the cross section of e^{+}e^{-}→hadrons at center-of-mass energies from 3.645 to 3.871 GeV.

Soil moisture determines effects of climates and soil properties on nitrogen cycling: Examination of arid and humid soils.

While soil moisture has a significant effect on nitrogen (N) cycling, how it influences the dependence of this important biological process on environmental factors is unknown. Specifically, it is unclear how the relationships of net N mineralization (N) and soil moisture vary with soil properties and climates. In turn, how the relationships of N vs.