Studies of the mechanically induced reactivity of graphene with water using a 2D-materials strain reactor.

Using mechanical force to induce chemical reactions with two-dimensional (2D) materials provides an approach for both understanding mechanochemical processes on the molecular level, and a potential method for using mechanical strain as a means of directing the functionalization of 2D materials. To investigate this, we have designed a modular experimental platform which allows for monitoring of reactions on strained graphene Raman spectroscopy as a function of time. Both the strain present in graphene and the corresponding chemical changes it undergoes in the presence of a reagent can be followed concomitantly.

The role of carotenoids from red mamey fruit () against amyloid-β monomers in Alzheimer's disease: Computational analysis and ADMET prediction.

Background: Carotenoids, potent antioxidants in fruits and vegetables, have recently garnered attention for their potential therapeutic effects against neurodegenerative diseases. This study focuses on the interaction and anti-aggregation properties of conventional and unconventional carotenoids found in red mamey fruit, a nutraceutical fruit that is a rich source of these compounds.

Objective: To assess computational the interaction between of amyloid-β (Aβ) peptide with a set of carotenoids and three carotenoids previously explored in experimental assays as well as to assess ADMET prediction of carotenoids selected by computational analysis results.

Shape Memory Polymer Scaffolds-Utility for In Vitro Osteogenesis of Canine Multipotent Stromal Cells.

A biodegradable, shape memory polymer (SMP) scaffold based on poly(ε-caprolactone) (PCL) represents an attractive alternative therapy for the repair of critically sized bone defects given its ability to press-fit within irregular defects. Clinical translation of SMP scaffolds requires successful movement beyond proof-of-concept rodent studies through a relevant large-animal model and into the clinical setting. In addition to representing a clinical veterinary population, the canine species is a strong translational model for humans due to similarities in orthopedic disorders, biomechanics, and bone healing.

Structural basis for Retriever-SNX17 assembly and endosomal sorting.

During endosomal recycling, Sorting Nexin 17 (SNX17) facilitates the transport of numerous membrane cargo proteins by tethering them to the Retriever complex. Despite its importance, the mechanisms underlying this interaction have remained elusive. Here, we provide biochemical, structural, cellular, and proteomic analyses of the SNX17-Retriever interaction.

Benzothiazinone analogs as Anti-Mycobacterium tuberculosis DprE1 irreversible inhibitors: Covalent docking, validation, and molecular dynamics simulations.

Mycobacterium tuberculosis is a lethal human pathogen, with the key flavoenzyme for catalyzing bacterial cell-wall biosynthesis, decaprenylphosphoryl-D-ribose oxidase (DprE1), considered an Achilles heal for tuberculosis (TB) progression. Inhibition of DprE1 blocks cell wall biosynthesis and is a highly promising antitubercular target. Macozinone (PBTZ169, a benzothiazinone (BTZ) derivative) is an irreversible DprE1 inhibitor that has attracted considerable attention because it exhibits an additive activity when combined with other anti-TB drugs.

Water and chloride as allosteric inhibitors in WNK kinase osmosensing.

Osmotic stress and chloride regulate the autophosphorylation and activity of the WNK1 and WNK3 kinase domains. The kinase domain of unphosphorylated WNK1 (uWNK1) is an asymmetric dimer possessing water molecules conserved in multiple uWNK1 crystal structures. Conserved waters are present in two networks, referred to here as conserved water networks 1 and 2 (CWN1 and CWN2).

Recommendations for European laboratories based on the KDIGO 2024 Clinical Practice Guideline for the Evaluation and Management of Chronic Kidney Disease.

The 2024 Kidney Disease: Improving Global Outcomes (KDIGO) guidelines for chronic kidney disease (CKD) evaluation and management bring important updates, particularly for European laboratories. These guidelines emphasize the need for harmonization in CKD testing, promoting the use of regional equations. In Europe, the European Kidney Function Consortium (EKFC) equation is particularly suited for European populations, particularly compared to the CKD-EPI 2021 race-free equation.

Design, CTAB-catalyzed ultrasound-assisted synthesis and tyrosinase inhibition potential of naphthofuran-triazole conjugates.

The development of novel and efficient tyrosinase inhibitors is a critical necessity of agricultural, cosmetic and medicinal chemistry. Bearing in mind the therapeutical potential of naphthofuran-containing organic compounds, we carried out the CTAB-catalyzed ultrasound-assisted synthesis of a library of novel naphthofuran-triazole joined -aryl/alkyl acetamides 20(a-j) in 74-92% yield, which were further assessed for their tyrosinase inhibitory potential by taking kojic acid and ascorbic acid as standard inhibitors. The tyrosinase inhibitory assay demonstrated the promising tyrosinase inhibiting tendency of all prepared derivatives 20(a-h) as they all were found to be more efficient in comparison to the standard kojic acid.

Development of the design and synthesis of metal-organic frameworks (MOFs) - from large scale attempts, functional oriented modifications, to artificial intelligence (AI) predictions.

Owing to the exceptional porous properties of metal-organic frameworks (MOFs), there has recently been a surge of interest, evidenced by a plethora of research into their design, synthesis, properties, and applications. This expanding research landscape has driven significant advancements in the precise regulation of MOF design and synthesis. Initially dominated by large-scale synthesis approaches, this field has evolved towards more targeted functional modifications.

Interval Advanced Adenomas and Neoplasia in Patients with Negative Colonoscopy Following Positive Stool-Based Colorectal Cancer Screening Test.

Background/aims: Fecal occult blood test (FOBT) and fecal immunohistochemical test (FIT) are used for colorectal cancer (CRC) screening. However, when no adenomas are found following a positive FOBT/FIT, the future risk of advanced adenomas or colorectal cancer (CRC) is unclear. We determined the incidence and determinants of advanced adenomas or CRC after a negative index colonoscopy following a positive FOBT/FIT.

On-Site Portable Lithium Detection in Mining and Recycling Industries Based on a DNAzyme Fluorescent Sensor.

The global demand for lithium has soared in recent years due to the wide use of lithium batteries. To meet this demand, we herein report developing novel on-site sample preparation methods for the extraction of Li from relevant materials, including brine water, spodumene rock, as well as lithium-ion battery electrodes, and a DNAzyme-based fluorescent sensor for sensitive and robust detection of Li in these samples down to 1.4 mM (10 ppm) using a portable fluorometer.

Epigallocatechin-3-gallate inhibit the protein arginine methyltransferase 5 and enhancer of Zeste homolog 2 in breast cancer both in vitro and in vivo.

Purpose: Histone methyltransferases are enzymes that selectively methylate lysine or arginine residues on both histone and non-histone proteins, categorized into lysine methyltransferases and arginine methyltransferases. Notably, EZH2 and PRMT5 are known for catalyzing trimethylation of H3 at K27 and symmetric dimethylation of H4 at R3, respectively. These methylation events are recognized as characteristic histone-repressive marks in cancer.

Magnetoactive elastomer-based dynamic urethral support device for stress urinary incontinence.

Stress urinary incontinence (SUI) is the involuntary leakage of urine in response to increased intra-abdominal pressure during episodes of exertion. A common treatment method for SUI is sling implantation underneath the urethra to provide support. Most current sling procedures, however, cannot adjust urethral tension postoperatively.

Developing a consistent model for predicting equilibration in polymeric passive samplers across various HOC classes in sediment pore water.

The use of polymeric passive samplers (often polydimethylsiloxane, PDMS, or low-density polyethylene, LDPE) to indicate water concentrations of hydrophobic organic compounds under environmental conditions generally requires two key parameters, a compound-specific polymer-water equilibrium partition coefficient (K), and the degree of equilibration achieved in a given environmental exposure scenario. Herein, we have developed model to extrapolate equilibration of performance reference compounds between polymer and pore water across different compound classes that is also dependent upon accurate estimates of K. We have also developed quantitative structure-activity relationship (QSAR) models, to estimate K for PAHs, PCBs, DDx, and dioxin/furans for the two most common polymeric samplers, PDMS and LDPE.

Photochemistry of microplastics-derived dissolved organic matter: Reactive species generation and organic pollutant degradation.

Dissolved organic matter (DOM) originating from microplastics (MPs-DOM) is increasingly recognized as a substantial component of aquatic DOM. The photochemistry of MPs-DOM, essential for understanding its environmental fate and impacts, remains largely unexplored. This study investigates the photochemical behaviors of MPs-DOM derived from two common plastics: polystyrene (PS) and polyvinyl chloride (PVC), which represent aromatic and aliphatic plastics, respectively.

Novel Compound HJC0416 Attenuates Hepatic Fibrosis via HSP90/NF-κB-Associated Mechanism.

Introduction: Chronic liver disease is driven by a prolonged wound healing response leading to fibrogenesis, potentially progressing to cirrhosis. Hepatic stellate cells (HSCs) are the primary cells driving hepatic fibrosis because they are major producers of extracellular matrix. The nuclear factor kappa-light-chain-enhancer of activated B cells (NF-ΚB) pathway is a key regulator of inflammatory signaling, and survival of activated HSCs has been found to be NF-KB dependent.

The Effects of Plant-Microbe-Environment Interactions on Mineral Weathering Patterns in a Granular Basalt.

The importance of biota to soil formation and landscape development is widely recognized. As biotic complexity increases during early succession via colonization by soil microbes followed by vascular plants, effects of biota on mineral weathering and soil formation become more complex. Knowledge of the interactions among groups of organisms and environmental conditions will enable us to better understand landscape evolution.

Design of PEG-Based Hydrogels as Soft Ionic Conductors.

Conductive hydrogels have gained interest in biomedical applications and soft electronics. To tackle the challenge of ionic hydrogels falling short of desired mechanical properties in previous studies, our investigation aimed to understand the pivotal structural factors that impact the conductivity and mechanical behavior of polyethylene glycol (PEG)-based hydrogels with ionic conductivity. Polyether urethane diacrylamide (PEUDAm), a functionalized long-chain macromer based on PEG, was used to synthesize hydrogels with ionic conductivity conferred by incorporating ions into the liquid phase of the hydrogel.

Cost-effectiveness of viral load testing for transitioning antiretroviral therapy-experienced children to dolutegravir in South Africa: a modelling analysis.

Background: For children with HIV on antiretroviral therapy (ART), transitioning to dolutegravir-containing regimens is recommended. The aim of this study was to assess whether introducing viral load testing to inform new nucleoside or nucleotide reverse transcriptase inhibitors (NRTIs) for children with HIV and viraemia alongside dolutegravir-based ART is beneficial and of good economic value.

Methods: We used the Cost-Effectiveness of Preventing AIDS Complications-Pediatric model to project clinical and cost implications of three strategies among a simulated cohort of South African children aged 8 years with HIV receiving abacavir-lamivudine-efavirenz: (1) continue current ART (no dolutegravir; abacavir-lamivudine-efavirenz); (2) transition all children with HIV to dolutegravir, keeping current NRTIs (dolutegravir; abacavir-lamivudine-dolutegravir); or (3) transition to dolutegravir based on viral load testing (viral load plus dolutegravir), keeping current NRTIs if virologically suppressed (abacavir-lamivudine-dolutegravir, 70% of cohort) or switching abacavir to zidovudine (zidovudine) if viraemic (zidovudine-lamivudine-dolutegravir, 30%).