Formation and Dynamics of Imidazole Supramolecular Chains Investigated by Deep Potential Molecular Dynamics Simulation.

Imidazole-based materials have attracted considerable attention due to their promising potential for facilitating anhydrous proton transport at high temperatures. Herein, a machine learning-based deep potential (DP) model for bulk imidazole with first-principles accuracy is developed. The trained model exhibits remarkable accuracy in predicting energies and forces, with minor errors of 4.

Adaptive Escape of by Application of Low-Amplitude Electric Pulses.

Marine antibiofouling using low-amplitude electric pulses (EP) is an energy-efficient and eco-friendly approach, but potential mechanisms for preventing biofouling remain unclear. In the present study, the 3D adhesion dynamics of a model microorganism─ (PAO1)─under low-amplitude cathodic EP were examined as a function of applying voltage and its duration (). The results demonstrated that adhered bacteria escaped from the electrode surface even when EP was removed.

Maternal Exposure to Environmental Air Pollution and Premature Rupture of Membranes: Evidence from Southern China.

BACKGROUND Exposure to air pollution (AP) during pregnancy is associated with pre-labor rupture of membranes (PROM). However, there is limited research on this topic, and the sensitive exposure windows remain unclear. The present study assessed the association between AP exposure and the risk of PROM, as well as seeking to identify the sensitive time windows.

Realizing Ultrafast Response Speed for Self-Powered Photodetectors with a Molecular-Doped Lateral InSe Homojunction.

The implementation of energy-saving policies has stimulated intensive interest in exploring self-powered optoelectronic devices. The 2D p-n homojunction exhibits effective generation and separation of carriers excited by light, realizing lower power consumption and higher performance photodetectors. Here, a self-powered photodetector with high performance is fabricated based on an F4-TCNQ localized molecular-doped lateral InSe homojunction.

Prognostic value of elevated lipoprotein (a) in patients with acute coronary syndromes: a systematic review and meta-analysis.

Background: Elevated lipoprotein (a) level was recognized as an independent risk factor for significant adverse cardiovascular events in acute coronary syndrome (ACS) patients. Despite this recognition, the consensus in the literature regarding the prognostic significance of elevated lipoprotein (a) in ACS was also limited. Consequently, we conducted a thorough systematic review and meta-analysis to evaluate the prognostic relevance of elevated lipoprotein (a) level in individuals diagnosed with ACS.

Capillary filling of star polymer melts in nanopores.

The topology of a polymer profoundly influences its behavior. However, its effect on imbibition dynamics remains poorly understood. In the present work, capillary filling (during imbibition and following full imbibition) of star polymer melts was investigated by molecular dynamics simulations with a coarse-grained model.

Role of Surface Coverage of Sessile Probiotics in Their Interplay with Pathogen Bacteria Investigated by Digital Holographic Microscopy.

The adhesion of probiotics plays an important role in the gastrointestinal tract. Understanding the effect of the coverage of colonized probiotics on enteric pathogens is critical for the design of effective probiotic therapies. In the present work, we have investigated the adaptive behaviors of the intestinal pathogenic bacteria (ES) near the surfaces coated with a probiotic─ GG (LGG) as a function of surface coverage ratio () by using a home-setup digital holographic microscopy.

Ionic-Wind-Enhanced Raman Spectroscopy without Enhancement Substrates.

Raman spectra are often masked by strong fluorescence, which severely hinders the applications of Raman spectroscopy. Herein, for the first time, we report ionic-wind-enhanced Raman spectroscopy (IWERS) incorporated with photobleaching (PB) as a noninvasive approach to detect fluorescent and vulnerable samples without a substrate. In this study, ionic wind (IW) generated by needle-net electrodes transfers charges to the sample surface in air on the scale of millimeters rather than nanometers in surface-enhanced Raman spectroscopy.

Embedding cognitive framework with self-attention for interpretable knowledge tracing.

Recently, deep neural network-based cognitive models such as deep knowledge tracing have been introduced into the field of learning analytics and educational data mining. Despite an accurate predictive performance of such models, it is challenging to interpret their behaviors and obtain an intuitive insight into latent student learning status. To address these challenges, this paper proposes a new learner modeling framework named the EAKT, which embeds a structured cognitive model into a transformer.

Polysaccharides synergistic boosting drug loading for reduction pesticide dosage and improve its efficiency.

Overuse of pesticides is an urgent issue to be solved in sustainable agriculture. Based on the synergistic drug loading effect of β-cyclodextrin (β-CD) encapsulation and alginate (Alg) cross-linking, a new environment-responsive drug delivery system (TMX-loaded Alg/β-CD) was constructed. The relationship between carrier structure and solubility of thiamethoxam (TMX) was researched by molecular simulation.

Improving the photoresponse performance of monolayer MoSphotodetector via local flexoelectric effect.

Strain engineering is an effective means of modulating the optical and electrical properties of two-dimensional materials. The flexoelectric effect caused by inhomogeneous strain exists in most dielectric materials, which breaks the limit of the materials' non-centrosymmetric structure for piezoelectric effect. However, there is a lack of understanding of the impact on optoelectronic behaviour of monolayer MoSphotodetector via local flexoelectric effect triggered by biaxial strain.

Pseudogene AK4P1 promotes pancreatic ductal adenocarcinoma progression through relieving miR-375-mediated YAP1 degradation.

Pseudogenes have been reported to play oncogenic or tumor-suppressive roles in cancer progression. However, the molecular mechanism of most pseudogenes in pancreatic ductal adenocarcinoma (PDAC) remains unknown. Herein, we characterized a novel pseudogene-miRNA-mRNA network associated with PDAC progression using bioinformatics analysis.

Dual-Mode Circularly Polarized Light Emission and Metal-Enhanced Fluorescence Realized by the Luminophore-Chiral Cellulose Nanocrystal Interfaces.

Circularly polarized (CP) light has attracted wide attention for its great potential in broad applications. However, it remains a challenge to generate left-handed and right-handed circularly polarized (LCP and RCP) light from cellulose nanocrystal (CNC)-based materials only with an intrinsic left-handed chiral structure, owing to the pattern of CP light emission primarily based on the chirality of materials. Herein, a separation structure of luminophore layers and chiral CNCs was provided to achieve dual-mode CP light emission by building a luminophore-chiral CNC interface.

Bisindole compound 4ae ameliorated cognitive impairment in rats with vascular dementia by anti-inflammation effect via microglia cells.

Neuroinflammation is considered as an important mechanism of vascular dementia (VaD). Our primary study showed that the bisindole analogue (2-(2-(bis(5-chloro-1H-indol-3-yl)methyl)phenoxy)aniline, compound 4ae) had great anti-inflammation in zebrafish. Rat model of permanent occlusion of the bilateral common carotid arteries (2-vessel occlusion, 2VO) was utilized to evaluate the neuroprotective effect of 4ae.

Machine Learning Methods in Prediction of Protein Palmitoylation Sites: A Brief Review.

Protein palmitoylation is a fundamental and reversible post-translational lipid modification that involves a series of biological processes. Although a large number of experimental studies have explored the molecular mechanism behind the palmitoylation process, the computational methods has attracted much attention for its good performance in predicting palmitoylation sites compared with expensive and time-consuming biochemical experiments. The prediction of protein palmitoylation sites is helpful to reveal its biological mechanism.

High-efficiency removal of dyes from wastewater by fully recycling litchi peel biochar.

Litchi peel biochar was prepared by hydrothermal carbonization and subsequent activation process, and its adsorption on congo red and malachite green were investigated. The structural characteristics and adsorption properties of litchi peel biochar were studied by Scanning electron microscopy, X-ray diffractometer, Brunauer-Emmett-Teller, and dye adsorption experiments, and the adsorption mechanism between litchi peel biochar and dye molecules was analyzed by X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy. The results showed that the litchi peel biochar had a high specific surface area and pore volume of 1006 m g and 0.

Understanding Membrane Protein Drug Targets in Computational Perspective.

Membrane proteins play crucial physiological roles in vivo and are the major category of drug targets for pharmaceuticals. The research on membrane protein is a significant part in the drug discovery. The biological process is a cycled network, and the membrane protein is a vital hub in the network since most drugs achieve the therapeutic effect via interacting with the membrane protein.

Effects of Taste Signaling Protein Abolishment on Gut Inflammation in an Inflammatory Bowel Disease Mouse Model.

Inflammatory bowel disease (IBD) is one of the immune-related gastrointestinal disorders, including ulcerative colitis and Crohn's disease, that affects the life quality of millions of people worldwide. IBD symptoms include abdominal pain, diarrhea, and rectal bleeding, which may result from the interactions among gut microbiota, food components, intestinal epithelial cells, and immune cells. It is of particular importance to assess how each key gene expressed in intestinal epithelial and immune cells affects inflammation in the colon.

Aggravated gut inflammation in mice lacking the taste signaling protein α-gustducin.

Inflammatory bowel disease (IBD) is a debilitating immune-related condition that affects over 1.4 million Americans. Recent studies indicate that taste receptor signaling is involved in much more than sensing food flavor, and taste receptors have been localized in a variety of extra-oral tissues.

Three-phase hollow fiber liquid-phase microextraction based on a magnetofluid for the analysis of aristolochic acids in plasma by high-performance liquid chromatography.

A new and fast sample preparation technique based on three-phase hollow fiber liquid-phase microextraction with a magnetofluid was developed and successfully used to quantify the aristolochic acid I (AA-I) and AA-II in plasma after oral administration of Caulis akebiae extract. Analysis was accomplished by reversed-phase high-performance liquid chromatography with fluorescence detection. Parameters that affect the hollow fiber liquid-phase microextraction processes, such as the solvent type, pH of donor and acceptor phases, content of magnetofluid, salt content, stirring speed, hollow fiber length, extraction temperature, and extraction time, were investigated and optimized.

Interleukin-10 is produced by a specific subset of taste receptor cells and critical for maintaining structural integrity of mouse taste buds.

Although inflammatory responses are a critical component in defense against pathogens, too much inflammation is harmful. Mechanisms have evolved to regulate inflammation, including modulation by the anti-inflammatory cytokine interleukin-10 (IL-10). Previously we have shown that taste buds express various molecules involved in innate immune responses, including the proinflammatory cytokine tumor necrosis factor (TNF).

Taste bud homeostasis in health, disease, and aging.

The mammalian taste bud is an onion-shaped epithelial structure with 50-100 tightly packed cells, including taste receptor cells, supporting cells, and basal cells. Taste receptor cells detect nutrients and toxins in the oral cavity and transmit the sensory information to gustatory nerve endings in the buds. Supporting cells may play a role in the clearance of excess neurotransmitters after their release from taste receptor cells.