Single cell immunoprofile of synovial fluid in rheumatoid arthritis with TNF/JAK inhibitor treatment.

Numerous patients with rheumatoid arthritis (RA) manifest severe syndromes, including elevated synovial fluid volumes (SF) with abundant immune cells, which can be controlled by TNF/JAK inhibitors. Here, we apply single-cell RNA sequencing (scRNA-seq) and subsequent validations in SF from RA patients. These analyses of synovial tissue show reduced density of SF-derived pathogenic cells (e.

Effective Nucleation Size for Ice Crystallization.

Despite the apparent simplicity of water molecules, the kinetics of ice nucleation under natural conditions can be surprisingly intricate. Previous studies have yielded critical nucleation sizes that vary widely due to differences in experimental and computational approaches. In our investigation, we employed all-atom molecular dynamics simulations to explore spontaneously grown and ideal ice nuclei, revealing significant disparities in their kinetics.

Broadband Near-Infrared Fibers Derived from Nanocrystal-Glass Composites for Miniature Arrays Light Sources.

Broadband near-infrared (NIR) fiber arrays are highly desirable for multiplexed fluorescence endoscopic, however, there is a challenge for the development of miniature light sources with highly efficient broadband NIR emissions. Here the synthesis of a MgAlO:Cr nanocrystal-glass composite (NGC) with an Cr-clusters-induced broadband NIR emission possessing is presented and external quantum efficiency of 44% and a full width at half maximum of 297 nm, and the NGC fiber is further fabricated through a template solidification strategy, resulting in the construction of an all-fiber coupling system by fusing them with commercial quartz fiber that achieves an optical coupling efficiency of 95.2%.

Engineering the Self-Assembly Pathways of POSS-Peptide Amphiphiles to Form Diverse Cross-β Structures.

Cross-β structures are crucial in driving protein folding and aggregation. However, due to their strong aggregating tendency, the precise control of the self-assembly of β-sheet-forming peptides remains a challenge. We propose a molecular geometry strategy to study and control the self-assembly of cross-β structures.

DSDPFlex: Flexible-Receptor Docking with GPU Acceleration.

Molecular docking is an essential tool in structure-based drug discovery, widely utilized to model ligand-protein interactions and enrich potential hits. Among the different docking strategies, semiflexible docking (rigid-receptor and flexible-ligand model) is the most popular, benefiting from its balance of docking accuracy and speed. However, this approach ignores the conformational changes of proteins and hence demands suitable protein conformations as input.

Macrophage-derived mir-100-5p orchestrates synovial proliferation and inflammation in rheumatoid arthritis through mTOR signaling.

Background: Rheumatoid arthritis (RA) is a chronic autoimmune disorder characterized by synovial inflammation, causing substantial disability and reducing life quality. While macrophages are widely appreciated as a master regulator in the inflammatory response of RA, the precise mechanisms underlying the regulation of proliferation and inflammation in RA-derived fibroblast-like synoviocytes (RA-FLS) remain elusive. Here, we provide extensive evidence to demonstrate that macrophage contributes to RA microenvironment remodeling by extracellular vesicles (sEVs) and downstream miR-100-5p/ mammalian target of rapamycin (mTOR) axis.

PMC-IZ: A Simple Algorithm for the Electrostatics Calculation in Slab Geometric Molecular Dynamics Simulations.

Slab geometric systems are widely utilized in molecular simulations. However, an efficient, straightforward, and accurate method for calculating electrostatic interactions in these systems for molecular dynamics (MD) simulations is still needed. This review introduces a PME-like approach called PMC-IZ, specifically designed for slab geometric systems.

Nanoscale one-dimensional close packing of interfacial alkali ions driven by water-mediated attraction.

The permeability and selectivity of biological and artificial ion channels correlate with the specific hydration structure of single ions. However, fundamental understanding of the effect of ion-ion interaction remains elusive. Here, via non-contact atomic force microscopy measurements, we demonstrate that hydrated alkali metal cations (Na and K) at charged surfaces could come into close contact with each other through partial dehydration and water rearrangement processes, forming one-dimensional chain structures.

Subnano Te Cluster in Glass for Efficient Full-Spectrum Conversion.

Broadband near-infrared (NIR) photonic materials have wide applications. Although extensive studies on rare-earth, transition-metal, and even semiconductor-activated materials have enabled the development of a rich NIR material pool, developing broadband and efficient photonic candidates covering the NIR I and II regions from 750 to 1500 nm has been met with limited success. Here, it is reported that a subnano Te cluster with a characteristic configuration different from that of the ion state may fill the aforementioned gap.

Diffusion-enhanced characterization of 3D chromatin structure reveals its linkage to gene regulatory networks and the interactome.

The interactome networks at the DNA, RNA, and protein levels are crucial for cellular functions, and the diverse variations of these networks are heavily involved in the establishment of different cell states. We have developed a diffusion-based method, Hi-C to geometry (CG), to obtain reliable geometric information on the chromatin from Hi-C data. CG produces a consistent and reproducible framework for the 3D genomic structure and provides a reliable and quantitative understanding of the alterations of genomic structures under different cellular conditions.

DSDP: A Blind Docking Strategy Accelerated by GPUs.

Virtual screening, including molecular docking, plays an essential role in drug discovery. Many traditional and machine-learning-based methods are available to fulfill the docking task. However, the traditional docking methods are normally extensively time-consuming, and their performance in blind docking remains to be improved.

Artificial Intelligence Enhanced Molecular Simulations.

Molecular simulations, which simulate the motions of particles according to fundamental laws of physics, have been applied to a wide range of fields from physics and materials science to biochemistry and drug discovery. Developed for computationally intensive applications, most molecular simulation software involves significant use of hard-coded derivatives and code reuse across various programming languages. In this Review, we first align the relationship between molecular simulations and artificial intelligence (AI) and reveal the coherence between the two.

Investigating the Activation Mechanism Differences between Human and Mouse cGAS by Molecular Dynamics Simulations.

Cyclic GMP-AMP synthase (cGAS) has been widely investigated as a drug target for its crucial role in innate immunity. However, the inhibitors designed using mouse model were often shown to be ineffective for humans. This outcome indicates that the activation mechanisms of human and mouse cGAS (mcGAS) are different.

Screening value of lung ultrasound in connective tissue disease related interstitial lung disease.

Background: Interstitial lung disease (ILD) is a common pulmonary complication of connective tissue disease (CTD) that can lead to poor quality of life and prognosis.

Objectives: To explore the screening value of lung ultrasound (LUS) for connective tissue disease-associated interstitial lung disease (CTD-ILD).

Methods: Data of patients with CTD were collected, and each patient underwent LUS, high-resolution computed tomography (HRCT), and pulmonary function tests.

Accelerating supramolecular aggregation by molecular sliding.

Diffusion-based translocation along DNA or RNA molecules is essential for genome regulatory proteins to execute their biological functions. The reduced dimensionality of the searching process makes the proteins bind specific target sites at a "faster-than-diffusion-controlled rate". We herein report a photoresponsive slider-track diffusion system capable of self-assembly rate acceleration, which consists of (-)-camphorsulfonic acid, 4-(4'--octoxylphenylazo)benzenesulfonic acid, and isotactic poly(2-vinylpyridine).

Study of a Si-based light initiated multi-gate semiconductor switch for high temperatures.

Light initiated multi-gate semiconductor switch (LIMS) is a kind of power electronic device which has many differences from traditional thyristor triggered by electric pulse. LIMS is triggered by laser, the turn-on time is smaller, and the anti-electromagnetic interferences is strong. The opening mode of LIMS is obviously different to traditional thyristor.

Association of anti-TNF-α treatment with gut microbiota of patients with ankylosing spondylitis.

Objective: Gut dysbiosis contributes to multiple autoimmune diseases, including ankylosing spondylitis, which is commonly treated with tumor necrosis factor (TNF)-α inhibitors (TNFis). Because host TNF-α levels are considered to interact with gut microbiota, we aimed to systematically investigate the microbiota profile of ankylosing spondylitis patients with anti-TNF-α-based treatment and identify potential key bacteria.

Methods: Fecal samples were collected from 11 healthy controls and 24 ankylosing spondylitis patients before/after anti-TNF-α treatment, the microbiota profiles of which were evaluated by 16S ribosomal DNA amplicon sequencing and subsequent bioinformatic analysis.

Clinical value of YKL-40 in patients with polymyositis/dermatomyositis: A cross-sectional study and a systematic review.

Introduction: We performed a cross-sectional study to investigate the clinical usefulness of YKL-40 in patients with dermatomyositis (DM) and conducted a systematic review to summarize the clinical value of YKL-40 in patients with polymyositis (PM)/DM.

Materials And Methods: A cross-sectional study and a systematic review were performed to study the clinical value of YKL-40 in patients with PM/DM. Serum YKL-40 level was detected using enzyme-linked immunosorbent assay, and its association with clinical and laboratory parameters was analyzed.

Targeting Effect of Betulinic Acid Liposome Modified by Hyaluronic Acid on Hepatoma Cells In Vitro.

Betulinic acid (BA) is a natural pentacyclic triterpenoid with broad-spectrum anticancer activity, which has great development potential as an anti-cancer drug. In this study, a novel hyaluronic acid (HA)-modified BA liposome (BA-L) was developed for use in targeted liver cancer therapy. The size, polymer dispersity index (PDI), zeta potential, and entrapment efficiency were measured.

Effects of medications on incidence and risk of knee and hip joint replacement in patients with osteoarthritis: a systematic review and meta-analysis.

Background: This systematic review and meta-analysis aimed to investigate the incidence and risk of knee and hip replacement in patients with osteoarthritis (OA) treated with different medications.

Methods: OVID MEDLINE, OVID EMBASE, Cochrane and Web of Science electronic databases were searched from inception to May 4th, 2022. Clinical trials, including randomized controlled trials, cohort studies and case-control studies, were selected.

Thermally stable gold nanorod dispersed silicone composite with plasmonic resonance in the optical communication window.

Gold nanorods (AuNRs) possess a high optical nonlinear coefficient, ultrafast optical response speed and widely tunable localized surface plasmon resonance (LSPR) wavelength covering the visible and near infrared region. Therefore, they are extensively investigated for many optical applications. However, the poor thermal stability of the AuNRs seriously restricts their practical performance.

Elevated Serum IGFBP-2 and CTGF Levels Are Associated with Disease Activity in Patients with Dermatomyositis.

Background: Insulin-like growth factor-binding proteins (IGFBPs) and connective tissue growth factor (CTGF) participate in angiogenesis. Dermatomyositis (DM) is characterized by microvasculopathy-derived skin lesions. Here, we investigated the clinical significance of serum IGFBP and CTGF levels in DM patients.

All-solid-state pulsed current injection source based on the light initiated multi-gate semiconductor switches.

To study the damage and protection mechanism of the transient electromagnetic pulse to the cables of the electronic equipment under test, an all-solid-state pulsed current injection source with light initiated multi-gate semiconductor switches is developed. The output peak current range of the prepared all-solid-state pulsed current injection source was 0.1-1 kA, the risetime was 18 ns, and the pulse width was 520 ns.

Epidemiology, methodological quality, and reporting characteristics of systematic reviews and meta-analyses on coronavirus disease 2019: A cross-sectional study.

During the coronavirus disease 2019 (COVID-19) pandemic, convenient accessibility and rapid publication of studies related to the ongoing pandemic prompted shorter preparation time for studies. Whether the methodological quality and reporting characteristics of published systematic reviews (SRs)/meta-analyses are affected during the specific pandemic condition is yet to be clarified. This study aimed to evaluate the epidemiology, methodological quality, and reporting characteristics of published SRs/meta-analyses related to COVID-19.

ECG Signal-Enabled Automatic Diagnosis Technology of Heart Failure.

Usually, heart failure occurs when heart-related diseases are developed and continue to deteriorate veins and arteries. Heart failure is the final stage of heart disease, and it has become an important medical problem, particularly among the aging population. In medical diagnosis and treatment, the examination of heart failure contains various indicators such as electrocardiogram.