ACtriplet: An improved deep learning model for activity cliffs prediction by in tegrating triplet loss and pre-training.

Activity cliffs (ACs) are generally defined as pairs of similar compounds that only differ by a minor structural modification but exhibit a large difference in their binding affinity for a given target. ACs offer crucial insights that aid medicinal chemists in optimizing molecular structures. Nonetheless, they also form a major source of prediction error in structure-activity relationship (SAR) models.

Association between perivascular fat density on CT angiography and abdominal aortic aneurysm progression.

Background: Perivascular adipose tissue has been shown to play a role in cardiovascular disease. This provides evidences that perivascular fat density (PFD) may have a correlation with abdominal aortic aneurysm (AAA). The aim of study was to investigate the association between PFD on computed tomography angiography (CTA) and AAA expanding rate.

Hepatocyte metabolic adaptations during pregnancy and lactation.

The liver undergoes metabolic adaptations during gestation and lactation to meet evolving physiological demands, yet the precise processes, regulatory mechanisms, and functions remain unclear. Using high-resolution single-cell RNA sequencing, we systematically characterized hepatocyte adaptations in mice across pregnancy and postpartum stages. We discovered a cyclical hepatocyte trajectory ("pregnancy clock") that governs metabolic changes during gestation and postpartum recovery, reverting to pregestational states in non-lactating mice.

BBANsh: a deep learning architecture based on BERT and bilinear attention networks to identify potent shRNA.

RNA interference (RNAi) is a technique for precisely silencing the expression of specific genes by means of small RNA molecules and is essential in functional genomics. Among the commonly used RNAi molecules, short hairpin RNAs (shRNAs) exhibit advantages over small interfering RNAs, including longer half-life, comparable silencing efficiency, fewer off-target effects, and greater safety. However, traditional screening of potent shRNAs is costly and time-consuming.

A new digital biomarker of blepharitis: energy curve of the meibomian edge.

Purpose: To develop and validate a novel digital biomarker, the energy curve of the meibomian gland (MG) edge, to assess MG uneven atrophy and aid in diagnosing blepharitis.

Methods: A retrospective study enrolled 76 dry eye patients (42 with blepharitis, 34 controls). Segmentation of upper eyelid meibography images was accomplished via a convolutional neural network (CNN)-based artificial intelligence (AI) model.

Hexafluoropropylene oxide dimer acid (GenX) induces apoptosis in primary cortical neurons via stimulating ROS production and NF-κB activation.

Hexafluoropropylene oxide dimer acid (HFPO-DA), commonly known as GenX, is a replacement for perfluorooctanoic acid (PFOA) which readily accumulates in the brain and exhibits neurotoxic effects. However, the adverse impacts of GenX on neurons and its underlying mechanisms remain poorly understood. In this study, primary cortical neurons isolated from neonatal mice were exposed to varying concentrations of GenX to assess cell viability, intracellular reactive oxygen species (ROS) levels, and morphological alterations.

Photorefractive keratectomy with extended ablation zone for recurrent corneal erosion syndrome accompanied with refractive errors: a study of effectiveness, safety, and refractive outcomes.

Introduction: This retrospective study evaluated the effectiveness, safety and refractive outcomes of phototherapeutic keratectomy (PRK) with extended ablation zone in patients with recurrent corneal erosion syndrome (RCES) accompanied with refractive errors. Trans-epithelial photorefractive keratectomy (TPRK) for the contralateral eyes and phototherapeutic keratectomy (PTK) for RCES patients without refractive errors were included for comparison.

Methods: The study enrolled a total of 79 eyes from 62 patients, comprising 16 eyes (16 patients) in the PRK group, 11 contralateral eyes (11 patients) in the TPRK group, and 52 eyes (49 patients) in the PTK group.

Evaluation of the effects of fermentation on the non-volatile compounds in semi-dry coffee beans using widely targeted metabolomics analysis.

This study was the first to investigate the differences in non-volatile metabolites and their relationships with the sensory attributes of Hainan Robusta coffee by yeast fermentation [four single strains (HK, JK, GK and ZK), one mixed strain (MK), and natural fermentation (CK)] via widely targeted metabolomics. The results indicated that GK led to a change in the brew coffee color and obtained the highest scores for mouthfeel (7.67), aftertaste (7.

Ferroptosis in ocular diseases: mechanisms, crosstalk with other cell death pathways, and therapeutic prospects.

Background: Ocular diseases pose a significant threat to visual health, with ferritin ferroptosis playing a critical role in the pathogenesis of many such conditions. Ferritin accumulation, coupled with ferritin autophagy-mediated release of labile Fe, triggers iron-dependent lipid peroxidation and ferroptosis. These include disruptions in iron metabolism, oxidative stress imbalances, altered intracellular signaling, and changes to the local microenvironment.

Impact of cardiac phase selection on computational fluid dynamics analysis.

Background: The selection of cardiac phase in coronary computed tomography angiography (CCTA) may affect computational fluid dynamics (CFD)-derived hemodynamic metrics; however, this influence is not well-quantified, particularly in anomalous coronary anatomies. This study aims to evaluate how cardiac phase selection impacts CFD outcomes in normal and anomalous coronary arteries.

Methods: Multiphase CCTA datasets were analyzed from 40 patients: 30 with systolic and diastolic reconstructions (10 inter-arterial anomalous right coronary artery [ARCA], 10 myocardial bridging [MB], 10 normal) and 10 additional normals with mid-diastolic and diastolic reconstructions.

Study on molecular mechanism and functional properties of non-covalently binding between whey protein and chlorogenic acid.

This study investigated non-covalent conjugation of chlorogenic acid (CGA) with three whey proteins. Structural modifications were characterized through spectroscopic analyses, while functional properties were assessed by evaluating antioxidant capacity, bio-accessibility, and taste profiles. Molecular dynamics simulations elucidated interaction mechanisms.

Identification of novel therapeutic targets in hepatitis-B virus-associated membranous nephropathy using scRNA-seq and machine learning.

Hepatitis B Virus-associated membranous nephropathy (HBV-MN) significantly impacts renal health, particularly in areas with high HBV prevalence. Understanding the molecular mechanisms underlying HBV-MN is crucial for developing effective therapeutic strategies. This study aims to elucidate the roles of miR-223-3p and CRIM1 in HBV-MN using single-cell RNA sequencing (scRNA-seq) and machine learning.

Comprehensive Characterization of Bihormonal Cells and Endocrine Cell Lineages in Mammalian Pancreatic Islets.

Understanding the role and prevalence of bihormonal cells in pancreatic islets and their potential in β-cell restoration is critical but remains ambiguous. Using genetically engineered mouse strains with specific fluorescent markers and advanced imaging flow cytometry, it is found that bihormonal cells are exceedingly rare. Single-cell RNA sequencing reveals that GcgPpy and GcgIns bihormonal cells closely resemble α-cells or PP-cells and α-cells, respectively, indicating they are neither unique lineages nor transitional states.

ACSS2 mediates an epigenetic pathway to regulate β-cell adaptation during gestation in mice.

Maternal pancreatic β-cells undergo adaptive changes to meet the metabolic demands of pregnancy, and disruptions in this adaptation can lead to gestational diabetes mellitus. However, the mechanisms governing this adaptation remain largely unexplored. Using single-cell transcriptome combined with genetic analyses, we identified a precise process of β-cell adaptation in mice, characterized by progressive metabolic stress-related β-cell dysfunction, increased acetyl-CoA biosynthesis, and gene element-specific histone acetylation.

Reliability and usability of a portable spirometer compared to a laboratory spirometer.

Background: Access to spirometry remains limited due to the expense and inconvenience of stationary laboratory spirometers, which may compromise the diagnosis and management of chronic respiratory diseases (CRDs), such as chronic obstructive pulmonary disease (COPD) and asthma. Portable spirometers offer potential advantages over laboratory spirometers in terms of affordability, user-friendliness, and portability. The objective of this study is to evaluate the reliability and usability of a portable spirometer (Medcaptain VC-30 Pro) compared to a conventional laboratory spirometer (Jaeger MasterScreen PFT).

The Reliability of a Novel Structured Testing Device for Single-breath Lung Carbon Monoxide Uptake: A Randomized Comparison Crossover Study.

Background: With the development and market launch of several new domestic lung diffusing capacity testing instruments, the clinical reliability of the MeHow MeAir 9000 spirometer, featuring a novel turning valve structure, needs to be validated.

Objective: To evaluate the clinical reliability of lung diffusing capacity measurements using the MeHow MeAir 9000 spirometer.

Methods: This study included 166 participants: 30 healthy individuals, 68 with interstitial lung disease (ILD), and 68 with chronic obstructive pulmonary disease (COPD).

Integrating prior knowledge with deep learning for optimized quality control in corneal images: A multicenter study.

Objective: Artificial intelligence (AI) models are effective for analyzing high-quality slit-lamp images but often face challenges in real-world clinical settings due to image variability. This study aims to develop and evaluate a hybrid AI-based image quality control system to classify slit-lamp images, improving diagnostic accuracy and efficiency, particularly in telemedicine applications.

Design: Cross-sectional study.

Visualizing user demands through storyboarding in the mHealth app development for pregnant women: a conceptual framework.

In the co-design process of mHealth apps, the intuitiveness of user experience (UE) and user demands (UDs) are very important to the stakeholders. However, there is little research on how UE and UD are visually presented to stakeholders. Similar literature related to the design perspective of pregnant women is rare.

CsbHLH122/CsMYBS3-CsSUT2 contributes to the rapid accumulation of sugar in the ripening stage of sweet orange (Citrus sinensis).

The sugar content serves as the fundamental metabolic component that determines both the flavor quality and the nutritional value of fruits. Nevertheless, the regulatory mechanism underlying the rapid accumulation of sugars during citrus fruit maturation remains elusive. In this study, we demonstrated that the expression level of sucrose transporter CsSUT2 is increased during citrus fruit ripening and sugar accumulation.

Rehabilitation playthings design to promote positive emotions among people living with Alzheimer's Disease: a conceptual synthesis.

Purpose: Cognitive decline and social isolation pose significant challenges to the well-being of people with Alzheimer's disease (AD). While recreational activities and rehabilitation playthings (RPTs) have demonstrated benefits in fostering positive emotions among this population, there remains a scarcity of playthings specifically designed to address their unique needs. This study aims to develop a conceptual framework for RPTs design to enhance emotional well-being in people living with AD.

The expression order determines the pioneer functions of NGN3 and NEUROD1 in pancreatic endocrine differentiation.

Pioneer transcription factors (TFs) initiate chromatin remodeling, which is crucial for gene regulation and cell differentiation. In this study, we investigated how the sequential expression of neurogenin 3 (NGN3) and NEUROD1 affects their pioneering functions during pancreatic endocrine differentiation. Using a genetically engineered mouse model, we mapped NGN3-binding sites, confirming the pivotal role of this molecule in regulating chromatin accessibility.

Integrative analysis of mitochondrial and immune pathways in diabetic kidney disease: identification of AASS and CASP3 as key predictors and therapeutic targets.

Objectives: Diabetic kidney disease (DKD) is driven by mitochondrial dysfunction and immune dysregulation, yet the mechanistic interplay remains poorly defined. This study aimed to identify key molecular networks linking mitochondrial and immune pathways to DKD progression, with a focus on uncovering biomarkers and therapeutic targets.

Methods: We conducted an integrative analysis of human DKD cohorts (GSE30122, GSE96804) using weighted gene co-expression network analysis (WGCNA) to identify gene modules enriched for immune response genes and mitochondrial pathways (from MitoCarta3.

Hollow mesoporous metal-nitrogen-carbon electrocatalysts with enhanced oxygen reduction activity for zinc-air batteries.

While great advances have been achieved in Zn-air batteries, porous cathode catalysts remain crucial and challenging to promote diffusion and boost oxygen reduction reaction (ORR). Herein, an effective strategy has been developed for the synthesis of hollow metal-nitrogen-carbon electrocatalysts to achieve the macro-/meso-/microporous structure. The h-CuNC electrocatalyst exhibits good stability and high ORR activity with a half-wave potential of 0.

Poly(Acid Yellow 17)-Modified CoFe-Layered Double Hydroxide Achieves Long-Term Alkaline Seawater Oxidation.

Seawater electrolysis powered by renewable energy is a promising technique for green hydrogen production. However, the high concentration of chloride ions (Cl) and their derivatives in seawater can severely corrode the anode catalyst, significantly challenging the lifespan of electrolyzers. Herein, we present a poly(acid yellow 17) (PAY) layer-modified CoFe-layered double hydroxide nanoarrays on nickel foam (CoFe LDH@PAY/NF), which serves as an efficient and stable electrocatalyst for alkaline seawater oxidation (ASO).