Molecular Insights into Structural Dynamics and Binding Interactions of Selected Inhibitors Targeting SARS-CoV-2 Main Protease.

The SARS-CoV-2 main protease (Mpro, also known as 3CLpro) is a key target for antiviral therapy due to its critical role in viral replication and maturation. This study investigated the inhibitory effects of Bofutrelvir, Nirmatrelvir, and Selinexor on 3CLpro through molecular docking, molecular dynamics (MD) simulations, and free energy calculations. Nirmatrelvir exhibited the strongest binding affinity across docking tools (AutoDock Vina: -8.

Growth Superiority and Genetic Characterization of the Hybrid from Female Ussuri Catfish () and Male Longsnout Catfish ().

Crossbreeding is a traditional breeding technique and has been performed successfully in many fish species. However, distant hybridization between different genera is hard to be successful because of reproductive isolation. In this study, diploid hybrids (PL) were successfully derived from the hybridization of Ussuri catfish (, PU, ♀, 2n = 52) and longsnout catfish (, LL, ♂, 2n = 52).

Research on optimal selection of runoff prediction models based on coupled machine learning methods.

Runoff fluctuations under the influence of climate change and human activities present a significant challenge and valuable application in constructing high-accuracy runoff prediction models. This study aims to address this challenge by taking the Wanzhou station in the Three Gorges Reservoir area as a case study to optimize various prediction models. The study first selects artificial neural network (ANN) and support vector machine (SVM) as the base models.

Single-leg horizontal jump is more suitable for assessing lower limb function compared to single-leg vertical jump in patellofemoral pain patients.

Background: The single-leg vertical jump (SLVJ) and single-leg horizontal jump (SLHJ) are commonly used assessments for individuals with lower limb injuries. Despite previous studies comparing these tasks across various individuals, their comparative effectiveness in evaluating lower limb function in individuals with patellofemoral pain (PFP) and any potential sex differences in these functional tests remain uncertain.

Research Question: The purpose of this study was to determine which jump task is more suitable for functional assessment in PFP patients by comparing the differences in jump performance and biomechanical variables between PFP patients and healthy individuals during the SLVJ and SLHJ.

Somatic DICER1-Mutant Benign Thyroid Nodules in Adults: A Group of Follicular Nodular Disease With Continuous Growth.

Background: Germline DICER1 mutations cause familial multinodular goiter (MNG). However, the prevalence of somatic DICER1 mutations in non-MNG benign thyroid nodules and their characteristics remain unknown.

Methods: Adult-onset thyroid nodules with a pathological diagnosis were genotyped via targeted sequencing.

Research Progress on Moisture-Sorption Actuators Materials.

Actuators based on moisture-sorption-responsive materials can convert moisture energy into mechanical/electrical energy, making the development of moisture-sorption materials a promising pathway for harnessing green energy to address the ongoing global energy crisis. The deformability of these materials plays a crucial role in the overall energy conversion performance, where moisture sorption capacity determines the energy density. Efforts to boost the moisture absorption capacity and rate have led to the development of a variety of moisture-responsive materials in recent years.

Phenome-wide association study in 25,639 pregnant Chinese women reveals loci associated with maternal comorbidities and child health.

Phenome-wide association studies (PheWAS) have been less focused on maternal diseases and maternal-newborn comorbidities, especially in the Chinese population. To enhance our understanding of the genetic basis of these related diseases, we conducted a PheWAS on 25,639 pregnant women and 14,151 newborns in the Chinese Han population using ultra-low-coverage whole-genome sequence (ulcWGS). We identified 2,883 maternal trait-associated SNPs associated with 26 phenotypes, among which 99.

Constructing ESIPT-Capable α-Cyanostilbene Luminogens: Influence of Different Aromatic Substitutions Tethered to H-Acceptor (CH = N) on Photophysical Properties, Cu and Fe Detection.

Herein, two excited-state intramolecular proton transfer (ESIPT)-capable α-cyanostilbene luminogens were synthesized by Schiff base reaction of salicylaldehyde-like α-cyanostilbene candidate with 1-naphthylamine and 3-biphenylamine, respectively. We systematically analyzed their photophysical properties compared with their analogue, and demonstrated that their fluorescence behaviors could be elaborately modulated by different aromatic substitutions tethered to H-acceptor (CH = N). In virtue of the outstanding solid fluorescence, the 3-biphenylamine-decorated fluorophore was applied for monitoring Cu/Fe qualitatively on the TLC-based test strip in real time and sensing Cu/Fe quantitatively in the THF/HO medium (f = 90%, pH = 7.

The glycolytic reaction PGAM unexpectedly restrains Th17 pathogenicity and Th17-dependent autoimmunity.

Glucose metabolism is a critical regulator of T cell function, largely thought to support their activation and effector differentiation. Here, we investigate the relevance of individual glycolytic reactions in determining the pathogenicity of T helper 17 (Th17) cells using single-cell RNA-seq and Compass, an algorithm we previously developed for estimating metabolic flux from single-cell transcriptomes. Surprisingly, Compass predicted that the metabolic shunt between 3-phosphoglycerate (3PG) and 2-phosphoglycerate (2PG) is inversely correlated with pathogenicity in these cells, whereas both its upstream and downstream reactions were positively correlated.

π-π Stacking Induces Fast Zinc Ion Flux for High Power Zinc Ion Devices.

Metallic zinc has been regarded as an ideal anode material for aqueous batteries due to its high capacity, abundance, and low toxicity. Numerous strategies have been proposed for anode protection to address its intrinsic deficiencies. However, existing methods can only suppress dendrite growth at limited current densities, and achieving stable cycling at high rates remains a great challenge.

Effects of low-dose methotrexate with MMI in patients with Graves' disease: results of a randomized clinical trial.

Context: Supplemental methotrexate (MTX) may affect the clinical course of Graves' disease (GD).

Objective: Evaluate efficacy of add-on MTX on medical treatment in GD.

Design: Prospective, open-label, randomized supplementation controlled trial.

The interaction effect between BMI, diabetes and age at diabetes onset on the risk of thyroid cancer: A population-based cohort study in Shanghai, China.

Aim: To determine the association of the presence of diabetes and, among persons with diabetes, the age at type 2 diabetes mellitus (T2DM) onset, BMI and the interactive effect with the subsequent thyroid cancer risk.

Materials And Methods: We conducted a population register-based longitudinal cohort study in Shanghai, including 428 568 persons with new-onset T2DM matched with the general population. The risk of thyroid cancer among subgroups was calculated based on standardized incidence ratio (SIR), hazard ratio (HR) and Cox proportional hazards models.

Sevoflurane inhibits the malignant behavior of nasopharyngeal carcinoma cells by regulating mitochondrial membrane potential.

This study aims to determine the effect of sevoflurane (Sev) on nasopharyngeal carcinoma (NPC) in malignant behavior and mitochondrial membrane potential (MMP). NPC cells (5-8F and CNE2) were exposed to Sev at different concentrations and then tested for proliferation by CCK-8 and colony formation assays, apoptosis by flow cytometry, and invasion and migration by Transwell assays. In addition, the Warburg effect was examined by measurements of glucose consumption, lactic acid production, and adenosine triphosphate (ATP).

Establishment of droplet digital PCR for the detection of Neisseria gonorrhoeae.

Background: Infection with Neisseria gonorrhoeae in adults usually leads to vaginitis and acute urethritis, and infection through the birth canal in newborns can lead to acute neonatal conjunctivitis. In view of certain factors such as a high missed detection rate of N.gonorrhoeae from staining microscopy method, the time-consuming nature and limited sensitivity of bacterial culture method, complicated and inability of absolute quantification from the ordinary PCR method.

Unique solvation structure induced by anionic Cl in aqueous zinc ion batteries.

Aqueous zinc ion batteries (AZIBs) have garnered significant attention in large-scale static energy storage battery systems due to their low cost, high safety and environmental friendliness. However, it has some inherent problems during operation, such as the occurrence of side reactions (hydrogen evolution reaction, HER) and anode corrosion, formation of by-products and growth of metal dendrites. To analyze the mechanism of generation from aspect of the electrolyte solvation structure and make cell efficiency further improvements based on it, so we use DFT calculations to find the most stable solvation structure in AZIBs with ZnCl as the electrolyte and analyze it.

SLC11A1 promotes kidney renal clear cell carcinoma (KIRC) progression by remodeling the tumor microenvironment.

Kidney renal clear cell carcinoma (KIRC) is a highly immune-infiltrated kidney cancer with the highest mortality rate and the greatest potential for invasion and metastasis. Solute carrier family 11 member1 (SLC11A1) is a phagosomal membrane protein located in monocytes and plays a role in innate immunity, autoimmune diseases, and infection, but its expression and biological role in KIRC is still unknown. In this study, we sought to investigate the potential value of SLC11A1 according to tumor growth and immune response in KIRC.

Label-free Colorimetric Detection of Viral RNA Based on Clustered Regularly Interspaced Short Palindromic Repeats and Gold Nanoparticles with a Portable Device.

Viral infections, such as severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), are some of the most dangerous threats to humans. SARS-CoV-2 has caused a global pandemic, highlighting the unprecedented demand for rapid and portable diagnostic methods. To meet these requirements, we designed a label-free colorimetric platform that combines the clustered regularly interspaced short palindromic repeat (CRISPR)/CRISPR-associated proteins (Cas) 12a system for naked-eye detection (named LFP).

Stress Granule Core Protein-Derived Peptides Inhibit Assembly of Stress Granules and Improve Sorafenib Sensitivity in Cancer Cells.

Upon a variety of environmental stresses, eukaryotic cells usually recruit translational stalled mRNAs and RNA-binding proteins to form cytoplasmic condensates known as stress granules (SGs), which minimize stress-induced damage and promote stress adaptation and cell survival. SGs are hijacked by cancer cells to promote cell survival and are consequently involved in the development of anticancer drug resistance. However, the design and application of chemical compounds targeting SGs to improve anticancer drug efficacy have rarely been studied.

Analysis of the outage performance of energy-harvesting cooperative-NOMA system with relay selection methods.

Recent years have witnessed the remarkable progress in wireless communication systems due to the escalating demand for higher data rates, improved reliability, and increased energy efficiency. In this regard, Non-Orthogonal Multiple Access (NOMA) has emerged as a promising technology, enhancing spectral efficiency and accommodating multiple users concurrently within the same time and frequency resources. Simultaneously, the energy harvesting has surfaced as a sustainable solution, converting ambient environmental energy into usable electrical power for operating communication nodes.

[Clinical study of artificial intelligence-guided image fusion assisted transperineal prostate biopsy].

Objective: To compare the diagnostic efficacy of AI-guided mpMRI-TRUS fusion assisted transperineal systematic biopsy, targeted biopsy and combined biopsy in the diagnosis of PCa, and to evaluate the clinical application value of combined biopsy.

Methods: From April 2022, the general personal information and clinical data of patients with suspicious prostate lesions (PI-RADS≥3) detected by 3.0T mpMRI were collected, then underwent AI-guided mpMRI-TRUS fusion-assisted transperineal prostate biopsy.