Comprehensive DFT investigation of small-molecule adsorption on the paradigm M-MOF-74 family of metal-organic frameworks.

The capture of toxic chemicals such as NH, HS, NO and SO is essential due to the tremendous threats they pose to human health and the environment. The M-MOF-74 family of metal-organic frameworks has recently gained attention as a promising category of sorbent materials for the capture of toxic chemicals; however, no clear and comprehensive relationships have been established between the capability of the M-MOF-74 to capture all target toxic chemicals and their properties such as the nature and magnetic state of the metal sites. Density-functional theory (DFT) is employed to investigate the binding energy of target molecules on M-MOF-74 with different metals including Mg, Ti, V, Cr, Mn, Fe, Co, Ni, Cu and Zn.

Built-in electric field in the Mn/C heterojunction promotes electrocatalytic nitrogen reduction to ammonia.

The electrochemical nitrogen reduction reaction (NRR) has been regarded as a green and promising alternative to the traditional Haber-Bosch process. However, the high bond energy (940.95 kJ mol) of the NN triple bond hinders the adsorption and activation of N molecules, which is a critical factor restricting the catalytic performance of catalysts and their large-scale applications.

Tunable Cluster Luminescence and High Quantum Yield in Amine-Modified Maleic Anhydride Polymers.

Cluster luminescent materials (CLgens) with nonconjugated structures have attracted considerable attention. However, their low quantum yield and limited emission wavelengths, which are confined to the blue-green spectrum, continue to restrict their applicability. In this study, maleic anhydride polymer chains were modified with -tristyrylene-1,2-diamine (TPM-NH), creating a secondary donor-acceptor structure through freely rotatable phenyl groups and amino-anhydride interactions.

Acute Extrinsic Activation of the RANKL Pathway Decreases Wound Healing and Functional Recovery After Spinal Cord Injury in Mice.

Manipulating wound healing-associated signaling after SCI presents a promising avenue for increasing the recovery of function after injury. This study explores the potential of targeting molecular regulators of wound healing, initially identified in nonneural tissues, to enhance outcomes after SCI. Astrocytes, pivotal in central nervous system wound healing, play a crucial role in tissue remodeling and recovery.

Clinical entity augmented retrieval for clinical information extraction.

Large language models (LLMs) with retrieval-augmented generation (RAG) have improved information extraction over previous methods, yet their reliance on embeddings often leads to inefficient retrieval. We introduce CLinical Entity Augmented Retrieval (CLEAR), a RAG pipeline that retrieves information using entities. We compared CLEAR to embedding RAG and full-note approaches for extracting 18 variables using six LLMs across 20,000 clinical notes.

Development and validation of the Food Noise Questionnaire.

Objective: Food noise has received attention in the media, although no validated questionnaires exist to measure it. This study developed and tested the reliability and validity of the Food Noise Questionnaire (FNQ).

Methods: Participants (N = 400) successfully completed, the FNQ and a demographic questionnaire and self-reported weight and height.

Polymeric Anti-Antibiotic Microparticles to Prevent Antibiotic Resistance Evolution.

Vancomycin (VAN) and daptomycin (DAP) are among the last-resort antibiotics for treating multidrug-resistant Gram-positive bacterial infections. They are administered intravenously (IV); however, ≈5 - 10% of the total IV dose is released in the gastrointestinal (GI) tract via biliary excretion, driving resistance emergence in commensal Enterococcus faecium (E. faecium) populations.

Nanopore Detection of Small Molecules Based on Replacement and Complexation Chemical Interactions.

Small molecules play important roles in a variety of biological processes such as metabolism, cell signaling and enzyme regulation, and can serve as valuable biomarkers for human diseases. Moreover, they are essential to drug discovery and development, and are important targets for environmental monitoring and food safety. Due to the size incompatibility, small molecule transport is difficult to be monitored with a nanopore.

The renin-angiotensin-aldosterone system and salt sensitivity of blood pressure offer new insights in obesity phenotypes.

Objective: Individuals who have metabolically healthy overweight/obesity (MHOO) do not have cardiometabolic complications despite an elevated BMI. Renin-angiotensin-aldosterone system (RAAS) activation and salt sensitivity of blood pressure (SSBP) are cardiovascular disease (CVD) risks, which are increased in individuals with higher BMI values. Little is known about the differences in RAAS activation and SSBP between MHOO and metabolically unhealthy overweight/obesity (MUOO) phenotypes.

Radiotherapy toxicities: mechanisms, management, and future directions.

For over a century, radiotherapy has revolutionised cancer treatment. Technological advancements aim to deliver high doses to tumours with increased precision while minimising off-target effects to organs at risk. Despite advancements such as image-guided, high-precision radiotherapy delivery, long-term toxic effects on healthy tissues remain a great clinical challenge.

The interplay of edentulism, smoking, microbiota, oral rehabilitation on cytokineprofile and different conditions of hypertension.

Objective: To evaluate the influence of edentulism, smoking, microbiota, and oral rehabilitation on the cytokine profile in healthy and hypertensive edentulous individuals using complete dentures.

Design: This case-control study was divided into four groups: normotensives (control group - NH), controlled hypertensives (case group 1 - CH), unreported hypertensives (case group 2 - UnrH), and uncontrolled hypertensives (case group 3 - UncH). The participants were characterized by sociodemographic data, clinical and behavioral information, and systolic and diastolic blood pressure.

Enhancing compost quality: Biochar and zeolite's role in nitrogen transformation and retention.

This research evaluated how addition of biochar and zeolite affected nitrogen transformation and retention during the composting of kitchen waste. Four treatments, control (CK), 10 % biochar (B), 10 % zeolite (Z), and 5 % biochar +5 % zeolite (BZ) were used to study nitrogen transformation and retention. The results showed that biochar and zeolite can significantly reduce the loss of NH-N during the thermophilic phase (CK: 42.

Impact of operating mode variability on pollutant removal and microbial dynamics in a stacked hybrid constructed wetland: Implications for performance optimization.

This study innovatively developed a stacked hybrid constructed wetland, integrating the advantages of both free-water surface and subsurface flow constructed wetlands for enhanced treatment of sewage plant effluent. The effects of three different operation modes-Anoxic subsurface flow, Oxic subsurface flow, and Oxic subsurface flow with step-feeding-on sewage plant effluent treatment were thoroughly examined. Results indicated that all three modes exhibited excellent pollutant removal capabilities.

Cognitive Domains in the National Social Life, Health, and Aging Project.

Objectives: Cognition consists of specific domains that are differentially linked to health outcomes. We provide guidance on how to derive cognitive domains in the National Social Life, Health, and Aging Project (NSHAP) study. We suggest the use of a bifactor analysis to derive cognitive domains.

Exercise induces dynamic changes in intra-articular metabolism and inflammation associated with remodeling of the infrapatellar fat pad in mice.

We hypothesized that daily exercise promotes joint health by upregulating anti-inflammatory mediators via adaptive molecular and metabolic changes in the infrapatellar fat pad (IFP). We tested this hypothesis by conducting time-resolved analyses between 1 and 14 days of voluntary wheel running exercise in C57BL/6J mice. IFP structure and cellularity were evaluated by histomorphology, picrosirius red collagen staining, and flow cytometry analysis of stromal vascular fraction cells.

FORCE platform overcomes barriers of oligonucleotide delivery to muscle and corrects myotonic dystrophy features in preclinical models.

Background: We developed the FORCE platform to overcome limitations of oligonucleotide delivery to muscle and enable their applicability to neuromuscular disorders. The platform consists of an antigen-binding fragment, highly specific for the human transferrin receptor 1 (TfR1), conjugated to an oligonucleotide via a cleavable valine-citrulline linker. Myotonic dystrophy type 1 (DM1) is a neuromuscular disorder caused by expanded CUG triplets in the DMPK RNA, which sequester splicing proteins in the nucleus, lead to spliceopathy, and drive disease progression.

The clinical-stage drug BTZ-043 accumulates in murine tuberculosis lesions and efficiently acts against Mycobacterium tuberculosis.

The development of granulomas with central necrosis harboring Mycobacterium tuberculosis (Mtb) is the hallmark of human tuberculosis (TB). New anti-TB therapies need to effectively penetrate the cellular and necrotic compartments of these lesions and reach sufficient concentrations to eliminate Mtb. BTZ-043 is a novel antibiotic showing good bactericidal activity in humans in a phase IIa trial.

Roles of nitrite in facilitating nitrogen and sulfur conversion in the hybrid bioreactor of Sulfate-reduced ammonium oxidation and anaerobic ammonium oxidation.

The hybrid bioreactor combining sulfate-reducing ammonium oxidation (Sulfammox) and Anammox offered potential for simultaneous nitrogen and sulfur removal, but the removal efficiency and microbial mechanism remain unclear. This study demonstrated that in the hybrid bioreactor, the ammonium utilization rate (AUR) of Sulfammox increased by 5.42 times.

Selective adsorption of Ga(III) from aqueous solutions using magnetic chitosan-based ion-imprinted polymers: Synthesis optimization and mechanistic insights.

A magnetic chitosan-based ion-imprinted polymer (IIP) with high adsorption capacity, excellent selectivity for Ga(III), easy magnetic separation, and remarkable reusability was synthesized via a simple crosslinking polymerization. The IIP exhibited a Ga(III) adsorption capacity of 434.00 mg/g at pH 4, demonstrating high efficiency for Ga(III) removal from aqueous solutions.

Preparation, physicochemical characterization, and immunomodulatory activity of ovalbumin peptide-selenium nanoparticles.

During the preparation and development of selenium nanoparticles (SeNPs), natural bioactive peptides are added to enhance their physicochemical characteristics and functional properties. Among these properties, immunomodulatory activities, which include activating immune cells to strengthen immunity, constitute the major functions of the immune system. To obtain SeNPs with enhanced immunomodulation, ovalbumin peptide (OP) was used as a stabilizer, yielding OP-SeNPs.

Backbone assignment of the N-terminal domain of the A subunit of the Bacillus cereus GerI germinant receptor.

The nutrient germinant receptors (GRs) in spores of Bacillus species consist of a cluster of three proteins- designated A, B, and C subunits- that play a critical role in initiating the germination of dormant spores in response to specific nutrient molecules. The Bacillus cereus GerI GR is essential for inosine-induced germination; however, the roles of the individual subunits and the mechanism by which germinant binding activates GR function remain unclear. In this study, we report the backbone chemical shift assignments of the N-terminal domain (NTD) of the A subunit of GerI (GerIA).

Substrate stiffness dictates unique doxorubicin-induced senescence-associated secretory phenotypes and transcriptomic signatures in human pulmonary fibroblasts.

Cells are subjected to dynamic mechanical environments which impart forces and induce cellular responses. In age-related conditions like pulmonary fibrosis, there is both an increase in tissue stiffness and an accumulation of senescent cells. While senescent cells produce a senescence-associated secretory phenotype (SASP), the impact of physical stimuli on both cellular senescence and the SASP is not well understood.

Comparison of the amyloid plaque proteome in Down syndrome, early-onset Alzheimer's disease, and late-onset Alzheimer's disease.

Down syndrome (DS) is strongly associated with Alzheimer's disease (AD) due to APP overexpression, exhibiting Amyloid-β (Aβ) and Tau pathology similar to early-onset (EOAD) and late-onset AD (LOAD). We evaluated the Aβ plaque proteome of DS, EOAD, and LOAD using unbiased localized proteomics on post-mortem paraffin-embedded tissues from four cohorts (n = 20/group): DS (59.8 ± 4.