Varoglutamstat Inhibits the Dimerization of the Aβ Fragment in Aqueous Solution.

The self-aggregation of amyloid-beta (Aβ) peptides is strongly associated with Alzheimer's disease. In this study, the influence of the small varoglutamstat compound on the conformations of the FAβ dimer was extensively characterized by using MD simulations. The influence of the ligand on the conformation of the FAβ dimer was studied during the first 10.

Optimizing Extended-release Formulation of l-tetrahydropalmatine Based on In Vivo Outcomes Using Integrated Modeling Approaches.

l-Tetrahydropalmatine (l-THP) is a promising drug candidate for addiction treatment and needs to be delivered in extended-release dosage forms for safety and efficiency. This study aims to optimize extended-release formulations containing l-THP to achieve desired in vivo outcomes (C, onset of action, and duration of action) by integrating multiple computational tools including in vitro-in vivo correlation (IVIVC), physiologically based pharmacokinetic (PBPK), and design of experiments (DoE). The in vivo predictable dissolution method was chosen based on level A IVIVC.

Seismic traveltime inversion with quantum annealing.

This study demonstrates the application of quantum computing based quantum annealing to seismic traveltime inversion, a critical approach for inverting highly accurate velocity models. The seismic inversion problem is first converted into a Quadratic Unconstrained Binary Optimization problem, which the quantum annealer is specifically designed to solve. We then solve the problem via quantum annealing method.

Triggers for identifying anticoagulation-associated adverse drug events in hospitalized patients: a systematic review and meta-analysis.

Background: Anticoagulation therapy presents a high risk of adverse drug events (ADEs) in hospitalized patients, highlighting the need for effective detection strategies in clinical practice.

Aim: The review aimed to identify triggers for detecting anticoagulation-associated ADEs in hospitalized patients and describe the performance of these triggers.

Method: PubMed, Cochrane, and Embase were queried until April 19, 2024.

Histamine and biogenic amines in Vietnamese traditional fish sauce by hydrophilic interaction liquid chromatography-tandem mass spectrometry.

A straightforward method for the determination of histamine and other biogenic amines in Vietnamese traditional fish sauce was developed, avoiding a time-consuming derivatisation step. This resulted in the application of hydrophilic interaction in combination with liquid chromatography-tandem mass spectrometry (HILIC-MS/MS). The characteristics of the analytical method, such as linearity, limit of detection (LOD), limit of quantification (LOQ), repeatability, stability, and matrix effects were systematically investigated.

Electrochemical nanostructured CuBTC/FeBTC MOF composite sensor for enrofloxacin detection.

A novel electrochemical sensor for the detection of enrofloxacin (ENR) in aqueous solutions has been developed using a carbon paste electrode modified with a mixture of metal-organic frameworks (MOFs) of CuBTC and FeBTC. These MOFs were successfully synthesized via a solvothermal method and characterized using various techniques, including X-ray diffraction, Fourier-transform infrared spectroscopy, Brunauer-Emmett-Teller analysis, and X-ray photoelectron spectroscopy. The MOF mixture exhibited a particle size ranging from 40 to 100 nm, a high surface area of 1147 m/g, a pore volume of 0.

Estimates of eskd risk and timely kidney replacement therapy education.

Background: Kidney replacement therapy (KRT) needs preparation and its timing is difficult to predict. Nephrologists' predictions of kidney failure risk tend to be more pessimistic than the Kidney Failure Risk Equation (KFRE) predictions. We aimed to explore how physicians' risk estimate related to referral to KRT education, vs.

PanKA: Leveraging population pangenome to predict antibiotic resistance.

Machine learning has the potential to be a powerful tool in the fight against antimicrobial resistance (AMR), a critical global health issue. Machine learning can identify resistance mechanisms from DNA sequence data without prior knowledge. The first step in building a machine learning model is a feature extraction from sequencing data.

NLRP3 inflammasome activation contributes to the development of the pro-fibrotic phenotype of lung fibroblasts.

Idiopathic pulmonary fibrosis (IPF) is an irreversible progressive interstitial lung disease of unknown cause. The poorly understood pathophysiology of IPF poses substantial challenges to the development of effective anti-lung fibrotic drugs. The NLRP3 inflammasome, a key component of the innate immune system, has recently been linked to the pathogenesis of lung fibrosis.

Efficient inference of large prokaryotic pangenomes with PanTA.

Pangenome inference is an indispensable step in bacterial genomics, yet its scalability poses a challenge due to the rapid growth of genomic collections. This paper presents PanTA, a software package designed for constructing pangenomes of large bacterial datasets, showing unprecedented efficiency levels multiple times higher than existing tools. PanTA introduces a novel mechanism to construct the pangenome progressively without rebuilding the accumulated collection from scratch.

AMRomics: a scalable workflow to analyze large microbial genome collections.

Whole genome analysis for microbial genomics is critical to studying and monitoring antimicrobial resistance strains. The exponential growth of microbial sequencing data necessitates a fast and scalable computational pipeline to generate the desired outputs in a timely and cost-effective manner. Recent methods have been implemented to integrate individual genomes into large collections of specific bacterial populations and are widely employed for systematic genomic surveillance.

AMRViz enables seamless genomics analysis and visualization of antimicrobial resistance.

We have developed AMRViz, a toolkit for analyzing, visualizing, and managing bacterial genomics samples. The toolkit is bundled with the current best practice analysis pipeline allowing researchers to perform comprehensive analysis of a collection of samples directly from raw sequencing data with a single command line. The analysis results in a report showing the genome structure, genome annotations, antibiotic resistance and virulence profile for each sample.

Mimosa pudica L. extract ameliorates pulmonary fibrosis via modulation of MAPK signaling pathways and FOXO3 stabilization.

Ethnopharmacological Relevance: Idiopathic pulmonary fibrosis (IPF) is a progressive fibrosing pulmonary disorder that has a poor prognosis and high mortality. Although there has been extensive effort to introduce several new anti-fibrotic agents in the past decade, IPF remains an incurable disease. Mimosa pudica L.

Antibiotic Resistance, Biofilm Formation, and Persistent Phenotype of in a Vietnamese Tertiary Hospital: A Focus on Amikacin.

stands out as a major opportunistic pathogen responsible for both hospital- and community-acquired bacterial infections. This study comprehensively assesses the antibiotic resistance, amikacin persistent patterns, and biofilm-forming ability of 247 isolates of obtained from an intensive care unit of a tertiary hospital in Vietnam. Microdilution assays, conducted on a 96-well plate, determined the minimum inhibitory concentrations (MICs) of amikacin.

Identification and nitric oxide production inhibitory activity of phenolic derivatives from the trunks of .

Phytochemical investigation of the trunks from led to the isolation of a novel phenolic glucoside, 2-2,4-di-(3,4-dihydroxyphenyl)but-2-en-1-yl---D-glucopyranoside (), along with five known stilbene derivatives (). Their structures were determined mainly using high-resolution electrospray ionisation mass spectrometry and nuclear magnetic resonance spectroscopic analyses, followed by comparisons of observed spectral data with reported values. The novel compound in was found to be useful as a chemotaxonomic marker.

Pasa: leveraging population pangenome graph to scaffold prokaryote genome assemblies.

Whole genome sequencing has increasingly become the essential method for studying the genetic mechanisms of antimicrobial resistance and for surveillance of drug-resistant bacterial pathogens. The majority of bacterial genomes sequenced to date have been sequenced with Illumina sequencing technology, owing to its high-throughput, excellent sequence accuracy, and low cost. However, because of the short-read nature of the technology, these assemblies are fragmented into large numbers of contigs, hindering the obtaining of full information of the genome.

Oleanane-type triterpenoid sulphates, two new α-glucosidase inhibitors from .

In connection with our interest in the phytochemical investigation of Oliv. (Elaeocarpaceae) growing in Vietnam, two new sulphated oleanane triterpenes were obtained herein and structurally identified. Based on the combination of the extensive 1D-, 2D NMR and HR ESI MS spectroscopic data analysis, their chemical structures have been elucidated as 1,3-dihydroxy-olean-18-ene 1-sulphate () and 1,3-dihydroxy-olean-12-ene 1-sulphate ().

Safety and effectiveness of all-oral and injectable-containing, bedaquiline-based long treatment regimen for pre-XDR tuberculosis in Vietnam.

The World health organization (WHO) recently recommended standardized all-oral shorter regimens for rifampicin resistant Tuberculosis (RR-TB). For highly resistant Tuberculosis patients such as pre-XDR-TB: RR-TB plus additional resistance to fluoroquinolones (FQ), the 6-9-months bedaquiline (bedaquiline)-based regimens or BDQ-based long regimens are recommended. The role of second-line injectable (SLI) drugs in the treatment of drug resistant TB is restricted because of safety concerns.

Optimizing Meropenem in Highly Resistant Klebsiella pneumoniae Environments: Population Pharmacokinetics and Dosing Simulations in Critically Ill Patients.

Critically ill patients are characterized by substantial pathophysiological changes that alter the pharmacokinetics (PK) of hydrophilic antibiotics, including carbapenems. Meropenem is a key antibiotic for multidrug-resistant Gram-negative bacilli, and such pathophysiological alterations can worsen treatment outcomes. This study aimed to determine the population PK of meropenem and to propose optimized dosing regimens for the treatment of multidrug-resistant Klebsiella pneumoniae in critically ill patients.

Chemical constituents of and their -glucosidase inhibition activity.

The first chemical study of the whole S. X. Yu & Y.

Country data on AMR in Vietnam in the context of community-acquired respiratory tract infections: links between antibiotic susceptibility, local and international antibiotic prescribing guidelines, access to medicines and clinical outcome.

Background: Antimicrobial resistance (AMR) is one of the biggest threats to global public health. Selection of resistant bacteria is driven by inappropriate use of antibiotics, amongst other factors. COVID-19 may have exacerbated AMR due to unnecessary antibiotic prescribing.