Neutrophil extracellular traps as a potential marker of systemic lupus erythematosus activity.

Background: The heterogeneity of systemic lupus erythematosus (SLE) poses a significant challenge in identifying biomarkers for assessing disease activity. Currently, there is a paucity of established biomarkers capable of evaluating SLE flares. This study aimed to identify novel biomarkers that exhibit improved diagnostic accuracy in assessing SLE activity.

Influence of Noncovalent Interaction on the Nucleophilicity and Electrophilicity of Metal Centers in [M(SCNEt)] (M = Ni, Pd, Pt).

A systematic theoretical study was performed on the electrophilic and nucleophilic properties of Group 10 square-planar metal compounds [M(SCNEt)] (M = Ni , Pd , and Pt ) and their complexes. The nucleophilic metal center and coordinated sulfur atom in [M(SCNEt)] facilitate the formation of metal-involving and conventional noncovalent bonds. The presence a heavier metal center results in a more negative electrostatic potential and a larger nucleophilicity, which in turn leads to the formation of stronger metal-involving noncovalent bonds than those formed by a lighter metal center.

[Analysis on Spatial-temporal Characteristics and Driving Factors of PM in Heilongjiang Province in the Past 20 years].

PM is an important indicator for measuring the degree of air pollution. Studying the space-time variation and the driving factors of spatial heterogeneity is important for controlling air pollution and improving regional air quality. Based on PM remote sensing data from 2000 to 2021, the Theil-Sen Median trend analysis, Mann-Kendall significant inspection, and spatial auto correlation were used to analyze the characteristics of space-time changes in PM concentration, and geographical detectors were combined with a multi-scale geographical weighted regression model to explore the key driver factor and its influence and direction of the impact and role of PM spatial differences.

Carbon-Bromide Bond Activation by Bidentate Halogen, Chalcogen, Pnicogen, and Tetrel Bonds.

Halogen, chalcogen, pnictogen, and tetrel bonds in organocatalysis have gained noticeable attention. In this work, carbon-bromide bond activation in the Ritter reaction by bidentate imidazole-type halogen, chalcogen, pnicogen, and tetrel bond donors was studied by density functional theory. All of the above four kinds of catalysts exhibited excellent catalytic performance.

Expected 8-Week Prenatal vs 12-Week Perinatal Tenofovir Alafenamide Prophylaxis to Prevent Mother-to-Child Transmission of Hepatitis B Virus: A Multicenter, Prospective, Open-Label, Randomized Controlled Trial.

Introduction: The course of maternal antiviral prophylaxis to prevent mother-to-child transmission of hepatitis B virus (HBV-MTCT) varies greatly, and it has not been demonstrated in a randomized controlled study.

Methods: In this multicenter, open-label, randomized controlled trial, eligible pregnant women with HBV DNA of 5.3-9.

Photoinduced Nonadiabatic Dynamics of a Single-Walled Carbon Nanotube-Porphyrin Complex.

Single-walled carbon nanotubes (SWCNTs) have gained a lot of attention in the past few decades due to their promising optoelectronic properties. In addition, SWCNTs can form complexes that have good chemical stability and transport properties with other optical functional materials through noncovalent interactions. Elucidating the detailed mechanism of these complexes is of great significance for improving their optoelectronic properties.

Design, synthesis and biological evaluation of thieno[3,2-c]pyrazol-urea derivatives as potent glycogen synthase kinase 3β inhibitors based on the DFG-out conformation.

Glycogen synthase kinase 3β (GSK-3β) is a potential therapeutic target for the treatment of a variety of human diseases. Here, we report the design and synthesis of a series of thieno[3,2-c]pyrazol-urea derivatives and evaluation of their GSK-3β inhibitory activity. Among these analogues, the compound without substitution on terminal phenyl ring (3a) was found to be the most potent GSK-3β inhibitor with an IC of 74.

Why nursing students do not report workplace bullying during clinical practice: A mixed methods systematic review.

Background: Workplace bullying in clinical nurse education significantly threatens students' well-being and professional development. Despite its prevalence, many incidents go unreported, exacerbating the issue and compromising the quality of care. A significant gap exists in the literature regarding comprehensive mixed-methods systematic reviews on unreported bullying incidents among nursing students.

Prevalence of involuntary treatment among community-living older persons with dementia: A systematic review.

Objective: This systematic review and meta-analysis aimed to ascertain the prevalence of involuntary treatment among community-living older persons with dementia and explore associated factors.

Methods: We comprehensively searched seven electronic databases (PubMed, Embase, Cochrane Library, Web of Science, CINAHL, PsycINFO, and Scopus) from their inception to October 17, 2023, with an update conducted on April 1, 2024. Meta-analysis synthesized prevalence estimates of involuntary treatment and its three subcategories, with 95% confidence intervals.

protein Tp0136 promotes angiogenesis to facilitate the dissemination of .

The incompletely eliminated () during primary syphilis chancre infection can result in the progression of secondary, tertiary, or latent syphilis in individuals, suggesting that has successfully evaded the immune response and spread to distant sites. The mechanism underlying the dissemination of is unclear. Here, a syphilitic rabbit model dorsal-injected with recombinant Tp0136 protein or Tp0136 antibody subcutaneously was used to demonstrate the role of Tp0136 protein in promoting the dissemination of to the testis and angiogenesis ; vascular endothelial cell line HMEC-1 was employed to display that Tp0136 protein enhances the angiogenesis.

Insight into the Metal-Involving Chalcogen Bond in the Pd/Pt-Based Complexes: Comparison with the Conventional Chalcogen Bond.

The metal-involving Ch···M chalcogen bond and the conventional Ch···O chalcogen bond between ChX (Ch = Se, Te; X = CCH, CN) acting as a Lewis acid and M(acac) (M = Pd, Pt; Hacac = acetylacetone) acting as a Lewis base were studied by density functional theory calculations. It has been observed that the nucleophilicity of the Pt complexes is higher than that of the corresponding Pd complexes. As a result, the Pt complexes tend to exhibit a more negative interaction energy and larger orbital interaction.

Hypervalent Chalcogen Bonds Catalysis on the Intramolecular Aza-Michael Reaction of Aminochalcone: Catalytic Performance and Chalcogen Bond Properties.

Chalcogen bond (ChB) catalysis, as a new type in the field of non-covalent bond catalysis, has become a hot research topic in the field of organocatalysis in recent years. In the present work, we investigated the catalytic performance of a series of hypervalent ChB catalysis based on the intramolecular Aza-Michael reaction of aminochalcone. The reaction includes the carbon-nitrogen bond coupling step (key step) and the proton transfer step.

Loneliness and social isolation among informal carers of individuals with dementia: A systematic review and meta-analysis.

Objectives: This systematic review and meta-analysis aimed to determine the prevalence of loneliness and social isolation among informal carers of individuals with dementia and to identify potential influencing factors.

Methods: We conducted a comprehensive search across 10 electronic databases, including PubMed, Cochrane, Embase, Web of Science, PsycINFO, CINAHL, Scopus, Chinese Biomedical, China National Knowledge Internet, and WANFANG. Our search strategy covered the inception of the databases up to September 16, 2023, with an updated search conducted on March 8, 2024.

Pressure and temperature dependent kinetics and the reaction mechanism of Criegee intermediates with vinyl alcohol: a theoretical study.

Criegee intermediates (CIs), the key intermediates in the ozonolysis of olefins in atmosphere, have received much attention due to their high activity. The reaction mechanism of the most simple Criegee intermediate CHOO with vinyl alcohol (VA) was investigated by using the HL//M06-2X/def2TZVP method. The temperature and pressure dependent rate constant and product branching ratio were calculated using the master equation method.

Cationic Hypervalent Chalcogen Bond Catalysis on the Povarov Reaction: Reactivity and Stereoselectivity.

Chalcogen bond catalysis, particularly cationic hypervalent chalcogen bond catalysis, is considered to be an effective strategy for organocatalysis. In this work, the cationic hypervalent chalcogen bond catalysis for the Povarov reaction between N-benzylideneaniline and ethyl vinyl ether was investigated by density functional theory (DFT). The catalytic reaction involves the cycloaddition process and the proton transfer process, and the rate-determining step is the cycloaddition process.

Halogen Bond Catalysis: A Physical Chemistry Perspective.

As important noncovalent interactions, halogen bonds have been widely used in material science, supramolecular chemistry, medicinal chemistry, organocatalysis, and other fields. In the past 15 years, halogen bond catalysis has become a developed field in organocatalysis for the catalysts' advantages of being environmentally friendly, inexpensive, and recyclable. Halogen bonds can induce various organic reactions, and halogen bond catalysis has become a powerful alternative to the fully explored hydrogen bond catalysis.

Global prevalence of bullying and associated factors among nursing students during clinical practice: A systematic review and meta-analysis.

Objective: This meta-analysis aims to estimate the global prevalence of bullying among nursing students during clinical practice and identify associated factors.

Design: Systematic review and meta-analysis.

Review Methods And Data Sources: We conducted a comprehensive literature search across ten databases (PubMed, Cochrane, Web of Science, Embase, CINAHL, PsycINFO, Scopus, Chinese Biomedical, China National Knowledge Internet, and WANFANG) from their inception to January 3, 2023.

A Real-Time and Robust Neural Network Model for Low-Measurement-Rate Compressed-Sensing Image Reconstruction.

Compressed sensing (CS) is a popular data compression theory for many computer vision tasks, but the high reconstruction complexity for images prevents it from being used in many real-world applications. Existing end-to-end learning methods achieved real time sensing but lack theory guarantee for robust reconstruction results. This paper proposes a neural network called RootsNet, which integrates the CS mechanism into the network to prevent error propagation.

Mechanism and Stereoselectivity Control of Terminal Alkyne Dimerization Activated by a Zr/Co Heterobimetallic Complex: A DFT Study.

Heterobimetallic complexes have recently garnered considerable attention in organic synthesis owing to their high activity and selectivity, which surpass those of monometallic complexes. In this study, the detailed mechanisms of terminal alkyne dimerization activated by the heterobimetallic Zr/Co complex, as well as the different stereoselectivities of MeSiC≡CH and PhC≡CH dimerization, were investigated and elucidated by using density functional theory calculations. After excluding the three-molecule reaction and outer-sphere mechanisms, the inner-sphere mechanism was determined as the most optimal process.

Halogen bond catalysis of the [4+2] cycloaddition reaction of 2-alkenylindoles: catalytic modes and stereoselectivity.

Halogen bond donor catalysts have been widely used in organic reactions because they are environmentally friendly, inexpensive and recyclable. The [4+2] cycloaddition reaction is a key reaction in organic synthesis because of its ease of use, fast speed, and wide range of applications. In this work, halogen bond catalysis in the [4+2] cycloaddition reaction between 2-alkenylindoles was investigated based on DFT calculations.

USF1 modulates transcription and cellular functions by regulating multiple transcription factors in Huh7 cells.

Liver cancer, including hepatocellular carcinoma (HCC), is a malignant tumor that has high rates of metastasis and mortality worldwide. Upstream transcription factor 1 (USF1) is a canonical transcription factor (TF) and is associated with the pathogenesis of several cancers, but its biological functions and molecular targets in HCC remain unclear. Huh7 cells that overexpress USF1 were used with whole transcriptome profiling through RNA sequencing and chromatin immunoprecipitation (ChIP) sequencing methods to investigate the downstream targets of USF1.

Experiences and perspectives of nurses infected with COVID-19: A qualitative systematic review and meta-synthesis.

This qualitative systematic review aims to comprehensively understand the experiences and perspectives of nurses infected with COVID-19, addressing a significant gap in the current literature. Following the JBI meta-synthesis approach, a rigorous search was conducted across nine electronic databases and references until January 16, 2023. Seventeen eligible studies underwent quality assessment using the JBI critical checklist.

Gold(III) derivatives as the noncovalent interaction donors: theoretical study of the π-hole regium bonds.

Except for the well-known σ-hole regium bonds formed by metal nanoparticles and M(I) (M = Cu, Ag, and Au) derivatives, the existence of π-hole regions located above and below the Au atom in gold(III) derivatives suggests that gold(III) also functions as an efficient electrophilic site. In this study, a comprehensive analysis was conducted on the electrophilicity of trichloro-(-toluonitrilo-N)-gold(III) derivatives AuL(NCCHX) (L = Cl, Br, CN; X = NH, CH, CF, NC, and CN) and the nature of π-hole regium bonds in the AuL(NCCHX)⋯LB (LB = NH, N(NH), CHO, CH, CH, CH) and (AuCl(NCCHY)) (Y = Cl, CN, NC, NO; = 2, 3)) complexes. The characteristics of the π-hole regium bonds were studied with respect to the influence of ligands and substituents, the strength of intermolecular interactions between Au(III) derivatives and Lewis bases, and those in the polymers.

Chalcogen Bond Catalysis with Telluronium Cations for Bromination Reaction: Importance of Electrostatic and Polarization Effects.

Recently, chalcogen bond catalysts with telluronium cations have garnered considerable attention in organic reactions. In this work, chalcogen bond catalysis on the bromination reaction of anisole with N-bromosuccinimide (NBS) with the telluronium cationic catalysts has been explored with density functional theory (DFT). The catalytic reaction is divided into two stages: the bromine transfer step and the proton transfer step.