Leveraging molecular dynamics, physicochemical, and structural analysis to explore OMP33-36 protein as a drug target in Acinetobacter baumannii: An approach against nosocomial infection.

The Acinetobacter baumannii is a member of the "ESKAPE" bacteria responsible for many serious multidrug-resistant (MDR) illnesses. This bacteria swiftly adapts to environmental cues leading to the emergence of multidrug-resistant variants, particularly in hospital/medical settings. In this work, we have demonstrated the outer membrane protein 33-36 (Omp33-36) porin as a potential therapeutic target in A.

Frustrated Lewis Pair Meets Polyhedral Oligomeric Silsesquioxane: Water-Tolerant Hybrid Porous Networks for Robust, Efficient, and Recyclable CO Catalysis.

Frustrated Lewis pair chemistry (FLP) occupy a crucial position in nonmetal-mediated catalysis, especially toward activation of inert gas molecules. Yet, one formidable issue of homogeneous FLP catalysts is their instability on preservation and recycling. Here we contribute a general solution that marries the polyhedral oligomeric silsesquioxane (POSS) with a structurally specific frustrated Lewis acid to fabricate porous polymer networks, which can form water-insensitive heterogeneous FLP catalysts upon employing Lewis base substrates.

All-solid Conductive Elastomers Bridging Mechanical Performance and Sustainability for Durable and Multifunctional Electronics.

The next generation of stretchable electronics seeks to integrate superior mechanical properties with sustainability and sensing stability. Ionically conductive and liquid-free elastomers have gained recognition as promising candidates, addressing the challenges of evaporation and leakage in gel-based conductors. In this study, a sustainable polymeric deep eutectic system is synergistically integrated with amino-terminated hyperbranched polyamide-modified fibers and aluminum ions, forming a conductive supramolecular network with significant improvements in mechanical performance.

Discovery of an Enzyme-Activated Fluorogenic Probe for Profiling of Acylaminoacyl-Peptide Hydrolase.

Acylaminoacyl-peptide hydrolase (APEH), a serine peptidase that belongs to the prolyl oligopeptidase (POP) family, catalyzes removal of N-terminal acetylated amino acid residues from peptides. As a key regulator of protein N-terminal acetylation, APEH was involved in many important physiological processes while its aberrant expression was correlated with progression of various diseases such as inflammation, diabetics, Alzheimer's disease (AD), and cancers. However, while emerging attention has been attracted in APEH-related disease diagnosis and drug discovery, the mechanisms behind APEH and related disease progression are still unclear; thus, further investigating the physiological role and function of APEH is of great importance.

Enhancing Activation Energy Predictions under Data Constraints Using Graph Neural Networks.

Accurately predicting activation energies is crucial for understanding chemical reactions and modeling complex reaction systems. However, the high computational cost of quantum chemistry methods often limits the feasibility of large-scale studies, leading to a scarcity of high-quality activation energy data. In this work, we explore and compare three innovative approaches (transfer learning, delta learning, and feature engineering) to enhance the accuracy of activation energy predictions using graph neural networks, specifically focusing on methods that incorporate low-cost, low-level computational data.

Cranioplasty infection in porous hydroxyapatite: Potential antibacterial properties.

Introduction: Intensive research is dedicated to the development of novel biomaterials and medical devices to be used as grafts in reconstructive surgery, with the purpose of enhancing their therapeutic effectiveness, safety, and durability. A variety of biomaterials, from autologous bone to polymethylmetacrylate, polyether ether ketone, titanium, and calcium-based ceramics are used in cranioplasty. Porous hydroxyapatite (PHA) is reported as a possible material for bone reconstruction, with good signs of biocompatibility, osteoconductive and osteointegrative properties.

The developmental lipidome of Nippostrongylus brasiliensis.

Background: Nippostrongylus brasiliensis-a nematode of rodents-is commonly used as a model to study the immunobiology of parasitic nematodes. It is a member of the Strongylida-a large order of socioeconomically important parasitic nematodes of animals. Lipids are known to play essential roles in nematode biology, influencing cellular membranes, energy storage and/or signalling.

Repression of PFKFB3 sensitizes ovarian cancer to PARP inhibitors by impairing homologous recombination repair.

Background: Ovarian cancer (OC), particularly high-grade serous ovarian carcinoma (HGSOC), is the leading cause of mortality from gynecological malignancies worldwide. Despite the initial effectiveness of treatment, acquired resistance to poly(ADP-ribose) polymerase inhibitors (PARPis) represents a major challenge for the clinical management of HGSOC, highlighting the necessity for the development of novel therapeutic strategies. This study investigated the role of 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3), a pivotal regulator of glycolysis, in PARPi resistance and explored its potential as a therapeutic target to overcome PARPi resistance.

Efficacy and safety of SHEN26, a novel oral small molecular RdRp inhibitor for COVID-19 treatment: a multicenter, randomized, double-blinded, placebo-controlled, phase II clinical trial.

Background: SHEN26 (ATV014) is an oral RNA-dependent RNA polymerase (RdRp) inhibitor with potential anti-SARS-CoV-2 activity. Safety, tolerability, and pharmacokinetic characteristics were verified in a Phase I study. This phase II study aimed to verify the efficacy and safety of SHEN26 in COVID-19 patients.

High-throughput phenotyping of wheat root angle and coleoptile length at different temperatures using 3D-printed equipment.

Background: Innovation in crop establishment is crucial for wheat productivity in drought-prone climates. Seedling establishment, the first stage of crop productivity, relies heavily on root and coleoptile system architecture for effective soil water and nutrient acquisition, particularly in regions practicing deep planting. Root phenotyping methods that quickly determine coleoptile lengths are vital for breeding studies.

Diagnosis of lung cancer using salivary miRNAs expression and clinical characteristics.

Objective: Lung cancer (LC), the primary cause for cancer-related death globally is a diverse illness with various characteristics. Saliva is a readily available biofluid and a rich source of miRNA. It can be collected non-invasively as well as transported and stored easily.

Non-thermal atmospheric plasma treatments enhance the growth, photosynthesis, metabolite accumulation, and nutritional value of geranium (Pelargonium graveolens L'Herit) leaves.

This study investigated the effects of non-thermal atmospheric plasma (NTAP) treatment on the growth, chemical composition, and biological activity of geranium (Pelargonium graveolens L'Herit) leaves. NTAP was applied at a frequency of 13.56 MHz, exposure time of 15 s, discharge temperature of 25 °C, and power levels (T1 = 50, T2 = 80, and T3 = 120 W).

Synergistic anticancer effects of cisplatin and phenolic aglycones of the aerial part of Rumex dentatus L. in tongue squamous cell carcinoma: insights from network pharmacology and biological verification.

Background: Oral squamous cell carcinoma (OSCC) ranks as the sixth most common malignancy globally. Cisplatin is the standard chemotherapy for OSCC, but resistance often reduces its efficacy, necessitating new treatments with fewer side effects. Rumex dentatus L.

A sensitive determination of lead by hydride generation integrated with micro-sampling gas-liquid separator-FAAS after preconcentration by NiFeO nanoparticles.

In the present study, dispersive solid phase extraction - hydride generation integrated with micro-sampling gas-liquid separator - flame atomic absorption spectrometry was proposed to determine lead in lake water samples taken in the Horseshoe Island, Antarctica. In scope of this study, microwave assisted NiFeO nanoparticles were synthesized, and the characterization of nanoparticles were carried out by FT-IR, XRD and SEM. All influential parameters of dispersive solid phase extraction and hydride generation were optimized to enhance signal intensity belonging to the analyte.

Unveiling the omics tapestry of B-acute lymphoblastic leukemia: bridging genomics, metabolomics, and immunomics.

Acute B-lymphoblastic leukemia (B-ALL) is a highly heterogeneous hematologic malignancy, characterized by significant molecular differences among patients as the disease progresses. While the PI3K-Akt signaling pathway and metabolic reprogramming are known to play crucial roles in B-ALL, the interactions between lipid metabolism, immune pathways, and drug resistance remain unclear. In this study, we performed multi-omics analysis on different patient cohorts (newly diagnosed, relapsed, standard-risk, and poor-risk) to investigate the molecular characteristics associated with metabolism, signaling pathways, and immune regulation in B-ALL.

Removal of Antibiotics in Breeding Wastewater Tailwater Using Microalgae-Based Process.

Ciprofloxacin (CIP) and oxytetracycline (OTC) are commonly detected antibiotic species in breeding wastewater, and microalgae-based antibiotic treatment technology is an environmentally friendly and cost-effective method for its removal. This study evaluated the effects of CIP and OTC on Scenedesmus sp. in the breeding wastewater tailwater and the removal mechanisms of antibiotics.

3D nanocomposites of β-TCP-HBO-Cu with improved mechanical and biological performances for bone regeneration applications.

Recently, 3-D porous architecture of the composites play a key role in cell proliferation, bone regeneration, and anticancer activities. The osteoinductive and osteoconductive properties of β-TCP allow for the complete repair of numerous bone defects. Herein, β-TCP was synthesized by wet chemical precipitation route, and their 3-D porous composites with HBO and Cu nanoparticles were prepared by the solid-state reaction method with improved mechanical and biological performances.

Proteomic profiling identifies upregulation of aurora kinases causing resistance to taxane-type chemotherapy in triple negative breast cancer.

Nowadays, chemotherapy and immunotherapy remain the major treatment strategies for Triple-Negative Breast Cancer (TNBC). Identifying biomarkers to pre-select and subclassify TNBC patients with distinct chemotherapy responses is essential. In the current study, we performed an unbiased Reverse Phase Protein Array (RPPA) on TNBC cells treated with chemotherapy compounds and found a leading significant increase of phosphor-AURKA/B/C, AURKA, AURKB, and PLK1, which fall into the mitotic kinase group.

Metabolic profiles of meconium in preeclamptic and normotensive pregnancies.

Introduction: Preeclampsia (PE) is a common vascular pregnancy disorder affecting maternal and fetal metabolism with severe immediate and long-term consequences in mothers and infants. During pregnancy, metabolites in the maternal circulation pass through the placenta to the fetus. Meconium, a first stool of the neonate, offers a view to maternal and fetoplacental unit metabolism and could add to knowledge on the effects of PE on the fetus and newborn.

Global metabolomic alterations associated with endocrine-disrupting chemicals among pregnant individuals and newborns.

Background: Gestational exposure to non-persistent endocrine-disrupting chemicals (EDCs) may be associated with adverse pregnancy outcomes. While many EDCs affect the endocrine system, their effects on endocrine-related metabolic pathways remain unclear. This study aims to explore the global metabolome changes associated with EDC biomarkers at delivery.

Evaluation of Heavy Metal Contamination from Large-scale Swine-Farming Wastewater in Sichuan Province, China: Removal Efficiency, Spatial Distribution and Risk Assessment.

The widespread application of swine-farming wastewater to soil and water is increasingly contributing to heavy metal contamination, posing significant environmental risks. This study investigated the concentrations of eight heavy metals in swine-farming wastewater following different treatment processes, and assessed their ecological risks in Sichuan Province, China. The findings revealed that zinc, copper and nickel exhibited the highest concentrations, potentially causing heavy or strong contamination levels and leading to heavy or slight ecological risks.

Foliar application of nano biochar solution elevates tomato productivity by counteracting the effect of salt stress insights into morphological physiological and biochemical indices.

Nano-biochar considers a versatile and valuable sorbent to enhance plant productivity by improving soil environment and emerged as a novel solution for environmental remediation and sustainable agriculture in modern era. In this study, roles of foliar applied nanobiochar colloidal solution (NBS) on salt stressed tomato plants were investigated. For this purpose, NBS was applied (0%, 1% 3% and 5%) on two groups of plants (control 0 mM and salt stress 60 mM).

Electrochemical aptasensor for the selective detection of vancomycin based on nanostructured "in-lab" printed electrodes.

A label-free, flexible, and disposable aptasensor was designed for the rapid on-site detection of vancomycin (VAN) levels. The electrochemical sensor was based on lab-printed carbon electrodes (C-PE) enriched with cauliflower-shaped gold nanostructures (AuNSs), on which VAN-specific aptamers were immobilized as biorecognition elements and short-chain thiols as blocking agents. The AuNSs, characterized by scanning electron microscopy (SEM) and atomic force microscopy (AFM), enhanced the electrochemical properties of the platform and the aptamer immobilization active sites.

Novel treatment strategy targeting interleukin-6 induced by cancer associated fibroblasts for peritoneal metastasis of gastric cancer.

Cancer-associated fibroblasts (CAFs) are a crucial component in the tumor microenvironment (TME) of peritoneal metastasis (PM), where they contribute to tumor progression and metastasis via secretion of interleukin-6 (IL-6). Here, we investigated the role of IL-6 in PM of gastric cancer (GC) and assessed whether anti-IL-6 receptor antibody (anti-IL-6R Ab) could inhibit PM of GC. We conducted immunohistochemical analysis of IL-6 and α-smooth muscle (α-SMA) expressions in clinical samples of GC and PM, and investigated the interactions between CAFs and GC cells in vitro.

Bio-inspired preparation of Ag NPs, rGO, and Ag/rGO nanocomposites for acoustical, antioxidant, and plant growth regulatory studies.

Acoustical properties are essential for understanding the molecular interactions in fluids, as they influence the physicochemical behavior of liquids and determine their suitability for diverse applications. This study investigated the acoustical parameters of silver nanoparticles (Ag NPs), reduced graphene oxide (rGO), and Ag/rGO nanocomposite nanofluids at varying concentrations. Ag NPs and Ag/rGO nanocomposites were synthesized via a Bos taurus indicus (BTI) metabolic waste-assisted method and characterized using advanced techniques, including XRD, TEM, Raman, DLS, zeta potential, and XPS.