The algebraic extended atom-type graph-based model for precise ligand-receptor binding affinity prediction.

Accurate prediction of ligand-receptor binding affinity is crucial in structure-based drug design, significantly impacting the development of effective drugs. Recent advances in machine learning (ML)-based scoring functions have improved these predictions, yet challenges remain in modeling complex molecular interactions. This study introduces the AGL-EAT-Score, a scoring function that integrates extended atom-type multiscale weighted colored subgraphs with algebraic graph theory.

Atg5 deficiency in basophils improves metabolism in lupus mice by regulating gut microbiota dysbiosis.

Autophagic activation in immune cells, gut microbiota dysbiosis, and metabolic abnormalities have been reported separately as characteristics of systemic lupus erythematosus (SLE). Elucidating the crosstalk among the immune system, commensal microbiota, and metabolites is crucial to understanding the pathogenesis of autoimmune diseases. Emerging evidence shows that basophil activation plays a critical role in the pathogenesis of SLE; however, the underlying mechanisms remain largely unknown.

Use of extracorporeal shockwave therapy combined with standard rehabilitation following anterior cruciate ligament reconstruction: a systematic review with meta-analysis.

Background: Anterior cruciate ligament (ACL) injuries are one of the most common sports injuries, accounting for approximately 50% of knee-related injuries. Extracorporeal shockwave therapy (ESWT), in the form of the radial (R-SWT) or focused shockwave (F-SWT), has been shown effective in treating various orthopaedic conditions. Recently, studies have investigated whether ESWT combined with standard rehabilitation may improve outcomes following anterior cruciate ligament reconstruction (ACLR).

Antimicrobial peptide glatiramer acetate targets Pseudomonas aeruginosa lipopolysaccharides to breach membranes without altering lipopolysaccharide modification.

Antimicrobial peptides (AMPs) are key components of innate immunity across all domains of life. Natural and synthetic AMPs are receiving renewed attention in efforts to combat the antimicrobial resistance (AMR) crisis and the loss of antibiotic efficacy. The gram-negative pathogen Pseudomonas aeruginosa is one of the most concerning infecting bacteria in AMR, particularly in people with cystic fibrosis (CF) where respiratory infections are difficult to eradicate and associated with increased morbidity and mortality.

Genomics yields biological and phenotypic insights into bipolar disorder.

Bipolar disorder is a leading contributor to the global burden of disease. Despite high heritability (60-80%), the majority of the underlying genetic determinants remain unknown. We analysed data from participants of European, East Asian, African American and Latino ancestries (n = 158,036 cases with bipolar disorder, 2.

RELMβ sets the threshold for microbiome-dependent oral tolerance.

Tolerance to dietary antigens is critical for avoiding deleterious type 2 immune responses resulting in food allergy (FA) and anaphylaxis. However, the mechanisms resulting in both the maintenance and failure of tolerance to food antigens are poorly understood. Here we demonstrate that the goblet-cell-derived resistin-like molecule β (RELMβ) is a critical regulator of oral tolerance.

Klebsiella pneumoniae employs a type VI secretion system to overcome microbiota-mediated colonization resistance.

Microbial species must compete for space and nutrients to persist in the gastrointestinal (GI) tract, and our understanding of the complex pathobiont-microbiota interactions is far from complete. Klebsiella pneumoniae, a problematic, often drug-resistant nosocomial pathogen, can colonize the GI tract asymptomatically, serving as an infection reservoir. To provide insight on how K.

Thermal variation influences the transcriptome of the major malaria vector Anopheles stephensi.

The distribution and abundance of ectothermic mosquitoes are strongly affected by temperature, but mechanisms remain unexplored. We describe the effect of temperature on the transcriptome of Anopheles stephensi, an invasive vector of human malaria. Adult females were maintained across a range of mean temperatures (20 °C, 24 °C and 28 °C), with daily fluctuations of +5 °C and -4 °C at each mean temperature.

Structure and mechanism of biosynthesis of Streptococcus mutans cell wall polysaccharide.

Streptococcus mutans, the causative agent of human dental caries, expresses a cell wall attached Serotype c-specific Carbohydrate (SCC) that is critical for cell viability. SCC consists of a polyrhamnose backbone of →3)α-Rha(1 → 2)α-Rha(1→ repeats with glucose (Glc) side-chains and glycerol phosphate (GroP) decorations. This study reveals that SCC has one predominant and two more minor Glc modifications.

Metabolic interactions underpinning high methane fluxes across terrestrial freshwater wetlands.

Current estimates of wetland contributions to the global methane budget carry high uncertainty, particularly in accurately predicting emissions from high methane-emitting wetlands. Microorganisms drive methane cycling, but little is known about their conservation across wetlands. To address this, we integrate 16S rRNA amplicon datasets, metagenomes, metatranscriptomes, and annual methane flux data across 9 wetlands, creating the Multi-Omics for Understanding Climate Change (MUCC) v2.

Blinding assessment in randomised sham-controlled trials of acupuncture:protocol for a systematic survey.

Introduction: Although various sham acupuncture techniques have been employed to ensure blinding in randomised controlled trials (RCTs) of acupuncture, the effectiveness of blinding in these trials and its influence on trial effect size estimates remain unclear. The objectives of this study are the following: (1) to investigate the proportion and study characteristics of sham-controlled trials reporting on blinding assessment, (2) to assess the blinding effectiveness of different types of sham acupuncture, (3) to investigate the relationship between blinding effectiveness and effect sizes in acupuncture RCTs.

Methods And Analysis: We will search PubMed and EMBASE from inception to 1 January 2025 to identify RCTs that compared acupuncture with sham acupuncture in humans with any disease or symptom, with no restrictions on language.

Impact of anesthetic methods on outcomes for patients with large core stroke undergoing endovascular treatment.

Background: The optimal anesthetic method for endovascular therapy in acute large core stroke remains unclear. This study aimed to evaluate the impact of anesthetic methods on outcomes in patients with large core stroke.

Methods: This study was a subanalysis of a prospective, multicenter registry at 38 stroke centers in China.

Redefining diagnostic lesional status in temporal lobe epilepsy with artificial intelligence.

Despite decades of advancements in diagnostic MRI, 30-50% of temporal lobe epilepsy (TLE) patients remain categorized as "non-lesional" (i.e., MRI negative or MRI-) based on visual assessment by human experts.

Extensive transcriptional differentiation and specialization of a single-host parasite aligns with niche turnover generated by its host's metamorphosis.

Foundational theory on life cycle evolution suggests that given genetic independence, the phenotypes presented by different life stages will diverge more when they occupy more distinct niches. When divergence between stages is significant and punctual, we typically consider the life cycle complex. In parasites, the delineation between simple and complex life cycles is usually made between those that utilize single and multiple host species.

Exploring risk factors and antimicrobial susceptibility patterns associated with bacteriuria among Syrian refugees in makeshift camps.

Background: The health and well-being of refugees are critically compromised by harsh living conditions, which foster the emergence of infectious diseases and the misuse of antimicrobial agents. This multicentre cross-sectional community-based study investigated the prevalence of urine carriage of bacteria and the associated antimicrobial resistance patterns among Syrian refugees living in makeshift camps in Lebanon, an East Mediterranean country.

Methods: We used multivariable logistic regression models to identify the risk factors associated with bacteriuria in this vulnerable population.

Animal-free coacervates: The combination of fungal chitosan-gum Arabic for the encapsulation of lipophilic compounds.

In this study, fungal chitosan (FC) and gum Arabic (GA) were combined to develop non-animal complex coacervates for encapsulation. Optimal coacervate formation occurred at pH 5 with a 1:4 (FC:GA) weight ratio. Innovative complementary approaches, including rheology coupled with phase-contrast microscopy, revealed that FC-GA coacervates could withstand high shear rates, reverting to their original structure afterward, making them suitable for industrial applications.

Association of early nutrition with bronchopulmonary dysplasia severity and MRI lung characteristics in preterm infants.

Introduction: Restricted fetal and neonatal growth is a known risk factor for bronchopulmonary dysplasia (BPD) in premature infants. However, the impact of nutrition and infant growth specifically on lung growth in BPD in unknown. Moreover, whether all lung growth in BPD is beneficial is unclear.

Increases in mean arterial blood pressure during electrical stimulation are unreliable indicators of anesthetic depth measured with electroencephalogram in dogs anesthetized with sevoflurane.

Objective: To evaluate the sparing effects of fentanyl and maropitant on sevoflurane minimum alveolar concentrations that block autonomic responses (MACBAR) and the hemodynamic and electroencephalographic responses to noxious stimuli in dogs.

Methods: The sevoflurane MACBAR was determined in 5 healthy male Beagles with or without continuous infusions of fentanyl and maropitant. Then, intermittent noxious stimulation was applied at 1.

Likelihood of using a harm reduction vending machine among rural people who inject drugs in Appalachian Kentucky.

Background: Harm reduction vending machines (HRVMs) that dispense safe injection equipment and other supplies have operated globally for more than 30 years, yet few operate in the U.S., particularly in the rural epicenters of drug-related harms.

Social support and family resources influence workload and capacity in parents of children with medical complexity.

Purpose: Research examining factors that impact parents of children with medical complexity (CMC) who also have critical congenital heart disease (CCHD) is limited. We examined relationships among family resources and social support, and how these influence parents' workload and capacity to care for their CMC with CCHD.

Methods: A non-experimental, cross-sectional design was conducted in a national sample of 106 parents of CMC with CCHD.

Recreational older ballet dancers adapt faster to repeated standing-slips than older non-dancers.

Background: Falls are a global health concern facing older adults. Ballet emphasizes postural control, coordination, and leg muscle strength. Previous work indicated young professional ballet dancers adapt more effectively to repeated standing-slips than non-dancers as evidenced by better reactive improvements in dynamic gait stability and step latency.

The U.S.A. eligible retinopathy of prematurity screening population 2003-2022: WONDER-ROP Study.

Purpose: To delineate the trends of the United States population eligible for retinopathy of prematurity (ROP) screening as defined by the Joint Statement Screening Guidelines of the American Academies of Pediatrics and Ophthalmology from the Centers for Disease Control using the Wide-ranging Online Data for Epidemiologic Research (WONDER) Database.

Design: National, retrospective study.

Subjects: Infants with ROP in the United States between 2003 and 2022.