Quadrupole-Central-Transition Na, K, Rb NMR Studies of Alkali Metal Ions under Different Molecular Tumbling Conditions: A Simple Model to Treat Chemical Exchange Involving Quadrupolar Nuclei.

We report a new NMR method for treating two-site chemical exchange involving half-integer quadrupolar nuclei in a solution. The new method was experimentally verified with extensive Na ( = 3/2), K ( = 3/2), and Rb ( = 3/2) NMR results from alkali metal ions (Na, K, and Rb) in a solution over a wide range of molecular tumbling conditions. In the fast-motion limit, all allowed single-quantum NMR transitions for a particular quadrupolar nucleus are degenerate giving rise to one Lorentzian signal.

Acute mortality event in false pilchards Harengula clupeola after salinomycin and amprolium treatment for myxozoan (Enteromyxum leei) infection.

This report documents complications in false pilchard Harengula clupeola and scad Decapterus macarellus associated with a salinomycin (60 mg kg-1) and amprolium (100 mg kg-1) gel feed treatment, along with prolonged temperature increase, for an Enteromyxum leei outbreak in a salt water, mixed species, public aquarium exhibit. Shortly after administration, a mass mortality event ensued where hundreds of false pilchards and a few scad died. Medicated gel feed was noted within the gastrointestinal tracts of all affected fish.

A mechanistic model for determining factors that influence inorganic nitrogen fate in corn cultivation.

Conventional practices for inorganic nitrogen fertilizer are highly inefficient leading to excess nitrogen in the environment. Excess environmental nitrogen induces ecological (, hypoxia, eutrophication) and public health (, nitrate contaminated drinking water) consequences, motivating adoption of management strategies to improve fertilizer use efficiency. Yet, how to limit the environmental impacts from inorganic nitrogen fertilizer while maintaining crop yields is a persistent challenge.

Pseudo-Phosphorylated Tau Forms Paired Helical Filaments in the Presence of High-Curvature Cholesterol-Containing Lipid Membranes.

The tau protein misfolds in neurodegenerative diseases such as Alzheimer's disease (AD). These pathological tau aggregates are associated with neuronal membranes, but molecular structural information about how disease-like tau fibrils interact with the lipid membrane is scarce. Here, we use solid-state NMR to investigate the structure of a tau construct bearing four AD-relevant phospho-mimetic mutations (4E tau) with cholesterol-containing high-curvature lipid membranes, which mimic the membrane of synaptic vesicles in neurons.

Gene Polymorphisms are Associated With Clinical and Biochemical Parameters in COVID-19 Patients in Serbian Population.

The hypoxia-inducible factor-1 alpha (HIF-1 alpha) is a major regulator of adaptive response to hypoxia, common in patients with severe coronavirus disease 2019 (COVID-19). In addition, HIF-1 alpha regulates the expression of the most important proteins necessary for severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection of cells. The study included 129 hospitalized COVID-19 patients.

Cobalt-Catalyzed Enantioselective Reductive Coupling of Imines and Internal Alkynes.

Chiral allyl amines are important structural components in natural products, pharmaceuticals, and chiral catalysts. Herein, we report a cobalt-catalyzed enantioselective reductive coupling of imines with internal alkynes to synthesize chiral allyl amines. The reaction is catalyzed by a cobalt complex derived from commercially available bisphosphine ligand utilizing zinc as the electron donor.

Marine-Derived Compound Targeting mTOR and FGFR-2: A Promising Strategy for Breast, Lung, and Colorectal Cancer Therapy.

Introduction: The marine habitat is a plentiful source of diverse, active compounds that are extensively utilised for their medicinal properties. Pharmaceutical trends have currently changed towards utilising a diverse range of goods derived from the marine environment.

Method: This study aimed to examine the inhibitory effects of bioactive chemicals derived from marine algae and bacteria.

Synthetic Strategies and Biological Activities of Teixobactin and its Analogs: A Review.

Antibiotics are a revolutionary discovery in modern medicine, enabling the successful treatment of bacterial infections that were once untreatable and deadly. Teixobactin, a "head-toside- chain" cyclodepsipeptide, shows great promise as a lead compound for developing new antibiotics to deal with multi-drug-resistant bacterial infections. The unique pharmacological profile and intriguing structural characteristics of teixobactin, including its unusual amino acid residues (three D-amino acids and L-allo-enduracididine), have drawn the attention of multiple research groups seeking to create new antibiotics with innovative mechanisms.

Integrated Network Pharmacology and Transcriptomics Analysis to Elucidate the Mechanism of Huoxue Tongluo Qiwei Decoction in the Treatment of Erectile Dysfunction in Spontaneously Hypertensive Rats through Angii-Activated Pkcε Pathway.

Background And Aim: As a classical formula to invigorate blood circulation, Huoxue Tongluo Qiwei Decoction (HTQD) can effectively treat hypertensive erectile dysfunction (ED), but its exact mechanism of action is not yet clear. The goal of this research was to explore the potential mechanism of HTQD in improving hypertensive erectile dysfunction in rats through transcriptomics, network pharmacology, and associated animal experimentations.

Methods: The HTQD chemical constituents were screened using high-performance liquid chromatography- tandem mass spectrometry (HPLC-MS/MS).

New Insights into the Modifications and Bioactivities of Indole-3-Carboxaldehyde and its Derivatives as a Potential Scaffold for Drug Design: A Mini-Review.

Indole, a ubiquitous structural motif in bioactive compounds, has played a pivotal role in drug discovery. Among indole derivatives, indole-3-carboxaldehyde (I3A) has emerged as a particularly promising scaffold for the development of therapeutic agents. This review delves into the recent advancements in the chemical modification of I3A and its derivatives, highlighting their potential applications in various therapeutic areas.

The stereoselective bioactivity and mechanism of indoxacarb against Spodoptera frugiperda.

Background: Indoxacarb, a type of chiral pesticide, is used to control Lepidoptera insects. Most studies had focused on the environmental behavior and selective toxicity of indoxacarb enantiomers, and the mechanism behind its selective biological activity against target organisms is not well understood.

Results: Spodoptera frugiperda was selected as the target insect.

MRI Signs Associated With Bladder Injury During Cesarean Delivery in Severe Placenta Accreta Spectrum Disorders.

Background: Bladder injury during cesarean delivery (CD) in pregnant women with severe placenta accreta spectrum (PAS) disorders mostly occurs in the dissection of vesico-uterine space. Placental MRI may help to assess the risk of bladder injury preoperatively.

Purpose: To identify the high-risk MRI signs of bladder injury during CD in women with severe PAS.

Potential Risks from Cannabis-Infused Beverages: A Critical Review.

Unlabelled: Although Canada legalized cannabis beverages in 2019, most available research on acute cannabis intoxication derives from dried flower and edible products. The distinct bioavailability and pharmacokinetic properties of phytocannabinoids ingested from beverages, however, contribute to significantly different acute and long-term effects that need to be better understood to ensure consumer safety.

Objective: This review investigates existing cannabis beverage literature, with a particular focus on acute intoxication effects.

Clinical implications of mineralocorticoid receptor overactivation.

The mineralocorticoid receptor (MR) is a nuclear transcription factor that plays a critical role in regulating fluid, electrolytes, blood pressure, and hemodynamic stability. In conditions such as chronic kidney disease (CKD) and heart failure (HF), MR overactivation leads to increased salt and water retention, inflammatory and fibrotic gene expression, and organ injury. The MR is essential for transcriptional regulation and is implicated in metabolic, proinflammatory, and pro-fibrotic pathways.

Cerebral white matter damage in patients with end-stage kidney disease associates with cognitive impairment.

Background: Damage to brain white matter often occurs in individuals with chronic kidney disease, which might be related to their cognitive decline. This study aims to investigate tract-specific white matter damage in patients with end-stage kidney disease by using fixel-based analysis.

Methods: Images of 31 end-stage kidney disease patients and 16 normal controls (aged: 61.

S6K1 is a Targetable Vulnerability in Tumors Exhibiting Plasticity and Therapy Resistance.

Most tumors initially respond to treatment, yet refractory clones subsequently develop owing to resistance mechanisms associated with cancer cell plasticity and heterogeneity. We used a chemical biology approach to identify protein targets in cancer cells exhibiting diverse driver mutations and representing models of tumor lineage plasticity and therapy resistance. An unbiased screen of a drug library was performed against cancer cells followed by synthesis of chemical analogs of the most effective drug.

TEAD1 Prevents Necroptosis and Inflammation in Cisplatin-Induced Acute Kidney Injury Through Maintaining Mitochondrial Function.

Cisplatin is widely used for the treatment of solid tumors and its antitumor effects are well established. However, a known complication of cisplatin administration is acute kidney injury (AKI). In this study, we examined the role of TEA domain family member 1 (TEAD1) in the pathogenesis of cisplatin-induced AKI.

Small molecule probes for peroxynitrite detection.

Peroxynitrite (ONOO/ONOOH) is a short-lived but highly reactive species that is formed in the diffusion-controlled reaction between nitric oxide and the superoxide radical anion. It can oxidize certain biomolecules and has been considered as a key cellular oxidant formed under various pathophysiological conditions. It is crucial to selectively detect and quantify ONOO to determine its role in biological processes.

Reactivity and Mechanism of Recoverable Pd@CN Single-Atom Catalyst in Buchwald-Hartwig Aminations.

Buchwald-Hartwig (BH) aminations are crucial for synthesizing arylamine motifs in numerous bioactive molecules and fine chemicals. While homogeneous palladium complexes can be effective catalysts, their high costs and environmental impact motivate the search for alternative approaches. Heterogeneous palladium single-atom catalysts (SAC) offer promising recoverable alternatives in C-C cross-couplings.

Recent Developments and Challenges in the Enzymatic Formation of Nitrogen-Nitrogen Bonds.

The biological formation of nitrogen-nitrogen (N-N) bonds represents intriguing reactions that have attracted much attention in the past decade. This interest has led to an increasing number of N-N bond-containing natural products (NPs) and related enzymes that catalyze their formation (referred to in this review as NNzymes) being elucidated and studied in greater detail. While more detailed information on the biosynthesis of N-N bond-containing NPs, which has only become available in recent years, provides an unprecedented source of biosynthetic enzymes, their potential for biocatalytic applications has been minimally explored.

Chemical cross-linking facilitates antigen uptake and presentation and provides improved protection from Mpox with a dual-antigen subunit vaccine.

Antigen uptake, processing, and presentation are crucial for the immune responses of protein-based vaccines. Herein, we introduced a reversible chemical cross-linking strategy to engineer protein antigens, which can be tracelessly removed upon antigen-presenting cell (APC) uptake and cellular reduction. The chemically cross-linked antigen proteins presented significantly enhanced uptake and epitope presentation by APC.

3D-Printed PCL-Based Scaffolds with High Nanosized Synthetic Smectic Clay Content: Fabrication, Mechanical Properties, and Biological Evaluation for Bone Tissue Engineering.

Background: The 3D printing of macro- and mesoporous biomimetic grafts composed of polycaprolactone (PCL) infused with nanosized synthetic smectic clay is a promising innovation in biomaterials for bone tissue engineering (BTE). The main challenge lies in achieving a uniform distribution of nanoceramics across low to high concentrations within the polymer matrix while preserving mechanical properties and biological performance essential for successful osseointegration.

Methods: This study utilized 3D printing to fabricate PCL scaffolds enriched with nanosized synthetic smectic clay (LAP) to evaluate its effects on structural, chemical, thermal, mechanical, and degradative properties, with a focus on in vitro biological performance and non-toxicity.

An expanded substrate scope for cross-chiral ligation enables efficient synthesis of long l-RNAs.

Despite the growing interest in mirror-image l-oligonucleotides, both as a robust nucleic acid analogue and as an artificial genetic polymer, their broader adoption in biochemical research and medicine remains hindered by challenges associated with the synthesis of long sequences, especially for l-RNA. Herein, we present a novel strategy for assembling long l-RNAs the joining of two or more shorter fragments using cross-chiral ligase ribozymes together with new substrate activation chemistry. We show that 5'-monophosphorylated l-RNA, which is readily prepared by solid-phase synthesis, can be activated by chemical attachment of a 5'-adenosine monophosphate (AMP) or diphosphate (ADP), yielding 5'-adenosyl(di- or tri-)phosphate l-RNA.

An efficient and flexible approach for local distortion: distortion distribution analysis enabled by fragmentation.

Distortion can play crucial roles in influencing structures and properties, as well as enhancing reactivity or selectivity in many chemical and biological systems. The distortion/interaction or activation-strain model is a popular and powerful method for deciphering the origins of activation energies, in which distortion and interaction energies dictate an activation energy. However, decomposition of local distortion energy at the atomic scale remains less clear and straightforward.

The inductive effect does not explain electron density in haloacetates: are our textbooks wrong?

The inductive effect is a central concept in chemistry and is often exemplified by the p values of acetic acid derivatives. The reduction in p is canonically attributed to the reduction in the electron density of the carboxylate group through the inductive effect. However, wave functional theory calculations presented herein reveal that the charge density of the carboxylate group is not explained by the inductive effect.