Enhanced prediction of beta-secretase inhibitory compounds with mol2vec technique and machine learning algorithms.

A comprehensive computational strategy that combined QSAR modelling, molecular docking, and ADMET analysis was used to discover potential inhibitors for β-secretase 1 (BACE-1). A dataset of 1,138 compounds with established BACE-1 inhibitory activities was used to build a QSAR model using mol2vec descriptors and support vector regression. The obtained model demonstrated strong predictive performance (training set:  = 0.

Pathophysiology of Intracerebral Hemorrhage: Recovery Trajectories.

Recovery trajectories in intracerebral hemorrhage (ICH) are recognized as distinct from those observed in ischemic stroke. This narrative review aims to clarify the pathophysiology underlying ICH recovery patterns, highlighting the unique timeline and nature of functional improvements seen in ICH survivors. Population-based cohort studies tracking functional outcomes in a longitudinal fashion, along with randomized clinical trial data with standardized outcome assessments, have demonstrated that ICH recovery generally has a delayed onset in the first weeks, followed by a steep early subacute stage recovery (typically up to 3 months) continuing in protracted, gradual improvements beyond 3 to 6 months.

Regional healthcare resource allocation and decision-making: Evaluating the effectiveness of the three-stage super-efficiency DEA model.

This study addresses the challenge of achieving a more rational allocation of medical resources at the regional level, using Guangxi Province, China, as a case study. A three-stage super-efficiency Data Envelopment Analysis (DEA) model is employed to assess and analyze the effectiveness of resource allocation. The research methodology involves identifying input, output, and environmental variable indicators to construct a healthcare resource allocation index system.

ROS-responsive nanoparticles for bioimaging and treating acute lung injury by releasing dexamethasone and improving alveolar macrophage homeostasis.

Background: Acute lung injury (ALI) triggers the activation of pulmonary macrophages, which in turn produce excessive amounts of reactive oxygen species (ROS).

Results: We synthesized ROS-responsive red light-emitting carbon dots (RCMNs) that target lung macrophages, possess bioimaging capabilities, and efficiently eliminate intracellular ROS, thereby demonstrating anti-inflammatory effects for treating acute lung injury (ALI). In an LPS-induced ALI mouse model, RCMNs showed bioimaging and therapeutic potential, reducing lung damage and inflammation by targeting ROS-damaged tissue.

Distribution, sorption patterns, and outflows of riverine microplastics-affiliated linear alkylbenzenes and polycyclic aromatic hydrocarbons in a dynamic coastal zone.

Microplastics (MPs) pollution has emerged as a global concern. To mitigate the potential threats by MPs, particularly to coastal regions, it is crucial to comprehend the environmental behavior of MPs and their affiliated chemicals. In the present study, we collected floating MPs using a Manta net (0.

Sulfurized Composite Interphase Enables a Highly Reversible Zn Anode.

The stability and reversibility of Zn anode can be greatly improved by in situ construction of solid electrolyte interphase (SEI) on Zn surface via a low-cost design strategy of ZnSO electrolyte. However, the role of hydrogen bond acceptor -SO accompanying ZnS formation during SEI reconstruction is overlooked. In this work, we have explored and revealed the new role of -SO and ZnS in the in situ formed sulfide composite SEI (SCSEI) on Zn anode electrochemistry in ZnSO aqueous electrolytes.

Cation reactivity inhibits perovskite degradation in efficient and stable solar modules.

Perovskite solar modules (PSMs) show outstanding power conversion efficiencies (PCEs), but long-term operational stability remains problematic. We show that incorporating -dimethylmethyleneiminium chloride into the perovskite precursor solution formed dimethylammonium cation and that previously unobserved methyl tetrahydrotriazinium ([MTTZ]) cation effectively improved perovskite film. The in situ formation of [MTTZ] cation increased the formation energy of iodine vacancies and enhanced the migration energy barrier of iodide and cesium ions, which suppressed nonradiative recombination, thermal decomposition, and phase segregation processes.

Sub-20-fs UV-XUV beamline for ultrafast molecular spectroscopy.

We present an ultraviolet (UV) - extreme-ultraviolet (XUV) pump-probe beamline with applications in ultrafast time-resolved photoelectron spectroscopy. The UV pump pulses, tuneable between 255 and 285 nm and with µJ-level energy, are generated by frequency up-conversion between ultrashort visible/infrared pulses and visible narrow-band pulses. Few-femtosecond XUV probe pulses are produced by a high-order harmonic generation source equipped with a state-of-the-art time-delay compensated monochromator.

Wet-dry or freeze-thaw alternation can regulate the impacts of farmland plastic pollution on soil bacterial communities and functions.

The persistence of farmland plastic pollution has raised significant concerns regarding its potential long-term impacts on soil health in the context of global climate change. However, there are still gaps in the understanding of the impacts of plastic residues on soil microbial communities and functions in agricultural environments under unstable and extreme climatic conditions. In this study, the effects of plastic residues (two types and three shapes) on farmland soil bacterial communities and functions across varying environmental conditions were investigated through microscopic experiments.

Traces of Bronze Age globalization in East Asia: Insights from a revised phylogeography of the Y-chromosome haplogroup Q1a1a-M120.

Objective: In this study, we aim to explore the genetic imprint of Bronze Age globalization in East Asia from a phylogeographic perspective by examining the Y-chromosome haplogroup Q1a1a-M120, and to identify key demographic processes involved in the formation of early China and the ancient Huaxia people.

Methods: Over the past few decades, we have collected the sequences of 347 Y chromosomes from the haplogroup Q1a1a-M120. These sequences were utilized to analyze and reconstruct a highly revised phylogenetic tree with age estimates.

Sex differences in the association between the muscle quality index and the incidence of depression: A cross-sectional study.

Background: Depression presents significant challenges to mental health care. Although physical activity is highly beneficial to mental and physical health, relatively few studies have conducted on the relationship between them.

Aim: To investigate the association between muscle quality index (MQI) and incidence of depression.

Biodegradation of DDT using multi-species mixtures: From genome-mining prediction to practical assessment.

DDT (dichlorodiphenyltrichloroethane) is a commonly used insecticide that is recalcitrant and highly stable in the environment. Currently, DDT residue contamination, especially in agricultural soil, is still a concern in many countries, threatening human health and the environment. Among the approaches to resolve such an issue, novel biodegradation-based methods are now preferred to physicochemical methods, due to the sustainability and the effectiveness of the former.

Oriented regulation of earthworm production and vermicompost quality by carbon bioavailability management.

Vermicomposting is an efficient bioconversion technology for recycling nutrients from organic waste materials. The biodegradability of raw materials has a significant impact on the earthworm transformation product. However, the management of carbon bioavailability is often overlooked during the vermicomposting process due to the varying degradability of C-rich source in different organic waste.

A tumor-promotional molecular axis CircMAPKBP1/miR-17-3p/TGFβ2 activates autophagy pathway to drive tongue squamous cell carcinoma cisplatin chemoresistance.

Platinum-based chemotherapy is the first-line treatment for tongue squamous cell carcinoma (TSCC), but most patients rapidly develop resistance. Circular RNAs (circRNAs) are a class of critical regulators in the pathogenesis of several tumors, but their role in cisplatin resistance in TSCC has not been fully elucidated. Here we found that circMAPKBP1 was enriched in cisplatin resistant TSCC cells and was closely associated with enhanced autophagic activity.

IL-4 drives exhaustion of CD8 CART cells.

Durable response to chimeric antigen receptor T (CART) cell therapy remains limited in part due to CART cell exhaustion. Here, we investigate the regulation of CART cell exhaustion with three independent approaches including: a genome-wide CRISPR knockout screen using an in vitro model for exhaustion, RNA and ATAC sequencing on baseline and exhausted CART cells, and RNA and ATAC sequencing on pre-infusion CART cell products from responders and non-responders in the ZUMA-1 clinical trial. Each of these approaches identify interleukin (IL)-4 as a regulator of CART cell dysfunction.

The m6A Reader IGF2BP2 Promotes Oral Squamous Cell Carcinoma Progression by Maintaining UCA1 Stability.

Introduction: N6-methyladenosine (m6A) modifications of RNAs are associated with many cancer types. Nevertheless, the function of the m6A reader IGF2BP2 in oral squamous cell carcinoma (OSCC) has yet to be ascertained.

Aims: The objective of this investigation was to elucidate the role of IGF2BP2 in OSCC and delineate the associated mechanisms.

Isolated attosecond pulse generation in a semi-infinite gas cell driven by time-gated phase matching.

Isolated attosecond pulse (IAP) generation usually involves the use of short-medium gas cells operated at high pressures. In contrast, long-medium schemes at low pressures are commonly perceived as inherently unsuitable for IAP generation due to the nonlinear phenomena that challenge favourable phase-matching conditions. Here we provide clear experimental evidence on the generation of isolated extreme-ultraviolet attosecond pulses in a semi-infinite gas cell, demonstrating the use of extended-medium geometries for effective production of IAPs.

Strategically Modulating Proton Activity and Electric Double Layer Adsorption for Innovative All-Vanadium Aqueous Mn/Proton Hybrid Batteries.

Aqueous Mn-ion batteries (MIBs) exhibit a promising development potential due to their cost-effectiveness, high safety, and potential for high energy density. However, the development of MIBs is hindered by the lack of electrode materials capable of storing Mn ions due to acidic manganese salt electrolytes and large ion radius. Herein, the tunnel-type structure of monoclinic VO nanorods to effectively store Mn ions via a reversible (de)insertion chemistry for the first time is reported.

The correlation between healthy lifestyle habits and all-cause and cardiovascular mortality in Guangxi.

Background: Adherence to healthy lifestyle habits has become a mainstream approach for lessening the burden of cardiovascular disease (CVD) during initial prevention efforts. The purpose of this study was to investigate the prevalence of four healthy lifestyle habits, the associated factors, and their impact on all-cause and cardiovascular mortality among residents of Guangxi Zhuang Autonomous Region.

Methods: From 2015 to 2019, individuals between the ages of 35 and 75 from Guangxi Zhuang Autonomous Region were recruited through the ChinaHeart Million Person Project.

Electron-injection-engineering induced dual-phase MoOF/MoOF heterostructure for magnesium storage.

Rechargeable magnesium batteries (RMBs) have received increased attention due to their high volumetric capacity and safety. Nevertheless, the sluggish diffusion kinetics of highly polarized Mg in host lattices severely hinders the development of RMBs. Herein, we report an electron injection strategy for modulating the Mo 4d-orbital splitting manner and first fabricate a dual-phase MoOF/MoOF heterostructure to accelerate Mg diffusion.