2D arrays of hollow carbon nanoboxes: outward contraction-induced hollowing mechanism in Fe-N-C catalysts.

Maximizing the utilization efficiency of monatomic Fe sites in Fe-N-C catalysts poses a significant challenge for their commercial applications. Herein, a structural and electronic dual-modulation is achieved on a Fe-N-C catalyst to substantially enhance its catalytic performance. We develop a facile multi-component ice-templating co-assembly (MIC) strategy to construct two-dimensional (2D) arrays of monatomic Fe-anchored hollow carbon nanoboxes (Fe-HCBA) a novel dual-outward interfacial contraction hollowing mechanism.

Prediction of coronary artery lesions in children with Kawasaki syndrome based on machine learning.

Objective: Kawasaki syndrome (KS) is an acute vasculitis that affects children < 5 years of age and leads to coronary artery lesions (CAL) in about 20-25% of untreated cases. Machine learning (ML) is a branch of artificial intelligence (AI) that integrates complex data sets on a large scale and uses huge data to predict future events. The purpose of the present study was to use ML to present the model for early risk assessment of CAL in children with KS by different algorithms.

Influence of linoleic acid on the immunodetection of shrimp (Litopenaeus vannamei) tropomyosin and the mechanism investigation via multi-spectroscopic and molecular modeling techniques.

The effect of linoleic acid (LA) on the IgG/IgE recognition, in vitro digestibility and immunodetection of shrimp tropomyosin (TM) was investigated. Subsequently, the simultaneous binding of LA-TM was explored using multi-spectroscopic and molecular modeling techniques. Our findings reveled that the addition of LA significantly reduced TM's IgG/IgE immunoreactivity, digestibility, and immunodetection.

Peer effects on rural children's depression: do online games matter?

With the increasing prevalence of depression among children and adolescents, understanding the role of peer contagion in the spread of emotional distress is a critical area of research. The aim of this study is to examine the effect of classmates' depression on a rural child's own depression in China (aged 9-17, N = 1777). The study controls for possible endogeneity of peer effects through the instrumental variable method (the Wald F statistic is significant at the 1% level) and random class assignment data (all students and teachers are randomly assigned to classes).

Understanding the Mechanism of Increased IgG/IgE Reactivity but Decreased Immunodetection Recovery in Thermally Induced Shrimp () Tropomyosin via Multispectroscopic and Molecular Dynamics Simulation Techniques.

Despite the fact that tropomyosin (TM) has highly stable structural characteristics, thermal processing can adversely influence its immunodetection, and the mechanism involved has not been elucidated. Purified TM was heated at various temperatures, and then the IgG/IgE-binding capacity and immunodetection recovery were determined; meanwhile, the structural alterations were analyzed via spectroscopic and molecular dynamics simulation techniques. The obtained results demonstrated that heat-treated TM showed significantly increased IgG/IgE reactivity, confirmed by indirect ELISA and immunoblotting analysis, which might be attributed to the increased structural flexibility, and thus allowed TM to be recognized IgG/IgE easily.

Sentiment Classification of Chinese Tourism Reviews Based on ERNIE-Gram+GCN.

Nowadays, tourists increasingly prefer to check the reviews of attractions before traveling to decide whether to visit them or not. To respond to the change in the way tourists choose attractions, it is important to classify the reviews of attractions with high precision. In addition, more and more tourists like to use emojis to express their satisfaction or dissatisfaction with the attractions.

SWTRU: Star-shaped Window Transformer Reinforced U-Net for medical image segmentation.

In the last decade, deep neural networks have been widely applied to medical image segmentation, achieving good results in computer-aided diagnosis tasks etc. However, the task of segmenting highly complex, low-contrast images of organs and tissues with high accuracy still faces great challenges. To better address this challenge, this paper proposes a novel model SWTRU (Star-shaped Window Transformer Reinforced U-Net) by combining the U-Net network which plays well in the image segmentation field, and the Transformer which possesses a powerful ability to capture global contexts.

ResSUMO: A Deep Learning Architecture Based on Residual Structure for Prediction of Lysine SUMOylation Sites.

Lysine SUMOylation plays an essential role in various biological functions. Several approaches integrating various algorithms have been developed for predicting SUMOylation sites based on a limited dataset. Recently, the number of identified SUMOylation sites has significantly increased due to investigation at the proteomics scale.

Insight into the molecular-level details of αs1 casein interactions with IgG: Combining with LC-MS/MS and molecular modelling techniques.

αs1-Casein (αs1-CN) is a major cow milk allergen, while the tertiary structure of αs1-CN and conformational epitopes of αs1-CN have not been clarified. Here, a reasonable three-dimensional structure of αs1-CN was established using ab initio methods, and hot-spot residues and epitopes were investigated by combining molecular dynamics simulation, peptides synthesis, and ELISA. Obtained results demonstrated that the binding mechanism between αs1-CN and IgG was located on three main regions: a helical structure zone (E77-Q97), the flexible loop zone (Y154-T174), and a flexible C-terminal (N190-L198), mainly connecting via hydrogen bond and ionic bonds.

Azobenzene Based Photo-Responsive Hydrogel: Synthesis, Self-Assembly, and Antimicrobial Activity.

A new azobenzene-based symmetric amphiphile was synthesized and characterized using H NMR spectroscopy. Its self-assembly behavior as well as photo-responsive behavior in its solution and gel states were investigated. Such a compound can self-assemble into fiber mesophases in water solvent.

Insight into the mechanism of allergenicity decreasing in recombinant sarcoplasmic calcium-binding protein from shrimp (Litopenaeus vannamei) with thermal processing via spectroscopy and molecular dynamics simulation techniques.

In the present study, sarcoplasmic calcium-binding protein (SCP) was first expressed in E. coli BL21 (DE3), and then identified based on immunoblotting and SCP amino acid sequencing of shrimp (Litopenaeus vannamei) using mass spectrometry (MS). The recombinant SCP (rSCP) was treated with different temperature conditions to investigate its immunological properties, in vitro digestibility and structural changes with enzyme-linked immunosorbent assay (ELISA), immunoblotting, spectrophotometry and molecular dynamics simulation techniques.

Thermal induced the structural alterations, increased IgG/IgE binding capacity and reduced immunodetection recovery of tropomyosin from shrimp (Litopenaeus vannamei).

Shrimps were first subjected to various thermal processing, then tropomyosin (TM) was purified and their structure, IgG/IgE-binding ability and detectability were evaluated for elucidating the mechanisms responsible for thermal-induced TM immunodetection recovery alterations. According to CD and FT-IR analysis, heat-treated shrimp TM had significantly reduced α-helix and β-sheet contents with elevated random coil contents, contributing to an increase of 24.42%-62.

Discovery of a chalcone derivative as potent necroptosis inhibitor for the treatment of acute kidney injury.

Necroptosis, a form of inflammation-related programmed cell death, is a major mechanism of proximal tubular cell injury in acute kidney injury (AKI). Blockade of necroptosis signalling represents a promising strategy for clinical therapy of AKI. Previously, we identified a small molecular receptor-interacting protein kinases (RIPK)1 inhibitor Cpd-71 with nephroprotective activities.

DeepSADPr: A hybrid-learning architecture for serine ADP-ribosylation site prediction.

Protein adenosine diphosphate-ribosylation (ADPr) is caused by the covalent binding of one or more ADP-ribose moieties to a target protein and regulates the biological functions of the target protein. To fully understand the regulatory mechanism of ADP-ribosylation, the essential step is the identification of the ADPr sites from the proteome. As the experimental approaches are costly and time-consuming, it is necessary to develop a computational tool to predict ADPr sites.

Prediction of arrhythmia after intervention in children with atrial septal defect based on random forest.

Background: Using random forest to predict arrhythmia after intervention in children with atrial septal defect.

Methods: We constructed a prediction model of complications after interventional closure for children with atrial septal defect. The model was based on random forest, and it solved the need for postoperative arrhythmia risk prediction and assisted clinicians and patients' families to make preoperative decisions.

Doping-Induced Quantum Spin Hall Insulator to Superconductor Transition.

A quantum spin Hall insulating state that arises from spontaneous symmetry breaking has remarkable properties: skyrmion textures of the SO(3) order parameter carry charge 2e. Doping this state of matter opens a new route to superconductivity via the condensation of skyrmions. We define a model amenable to large-scale negative sign free quantum Monte Carlo simulations that allows us to study this transition.

LncRNA RP11-248E9.5 and RP11-456D7.1 are Valuable for the Diagnosis of Childhood Pneumonia.

Background: Pneumonia is a common infection of the lung parenchyma in children, and early and accurate diagnosis of childhood pneumonia (CP) is important for implementing appropriate preventive and treatment strategies. This study aimed to evaluate the diagnostic value of the combination of long non-coding RNA (lncRNA) RP11-248E9.5, RP11-456D7.

Deep-learning-based information mining from ocean remote-sensing imagery.

With the continuous development of space and sensor technologies during the last 40 years, ocean remote sensing has entered into the big-data era with typical five-V (volume, variety, value, velocity and veracity) characteristics. Ocean remote-sensing data archives reach several tens of petabytes and massive satellite data are acquired worldwide daily. To precisely, efficiently and intelligently mine the useful information submerged in such ocean remote-sensing data sets is a big challenge.

Survival analysis for long noncoding RNAs identifies TP53TG1 as an antioncogenic target for the breast cancer.

Breast carcinoma is one of the most commonly diagnosed tumors and also one of the deadliest cancers in the female. Long noncoding RNAs (lncRNAs) are emerging as novel targets and biomarkers for breast cancer diagnosis and treatment. In this study, we aimed to study the lncRNAs associated with the outcomes in patients using the breast invasive carcinoma datasets from The Cancer Genome Atlas.

Carbon quantum dots as a fluorophore for "inner filter effect" detection of metronidazole in pharmaceutical preparations.

With houttuynia cordata as carbon source, photoluminescent carbon quantum dots (CDs) were obtained a one-step hydrothermal procedure. The absorption band of metronidazole (MNZ, maximum absorption wavelength at 319 nm) can well overlap with the excitation bands of CDs (maximum excitation wavelength at 320 nm). A fluorescent approach has been developed for detection of MNZ based on the inner filter effect (IFE), in which as-prepared CDs act as an IFE fluorophore and the MNZ as an IFE absorber.

Superconductivity from the condensation of topological defects in a quantum spin-Hall insulator.

The discovery of quantum spin-Hall (QSH) insulators has brought topology to the forefront of condensed matter physics. While a QSH state from spin-orbit coupling can be fully understood in terms of band theory, fascinating many-body effects are expected if it instead results from spontaneous symmetry breaking. Here, we introduce a model of interacting Dirac fermions where a QSH state is dynamically generated.

Equivalent-neighbor Potts models in two dimensions.

We investigate the two-dimensional q=3 and 4 Potts models with a variable interaction range by means of Monte Carlo simulations. We locate the phase transitions for several interaction ranges as expressed by the number z of equivalent neighbors. For not-too-large z, the transitions fit well in the universality classes of the short-range Potts models.

Design of a New Concentration Series for the Orthogonal Sample Design Approach and Estimation of the Number of Reactions in Chemical Systems.

A new concentration series is proposed for the construction of a two-dimensional (2D) synchronous spectrum for orthogonal sample design analysis to probe intermolecular interaction between solutes dissolved in the same solutions. The obtained 2D synchronous spectrum possesses the following two properties: (1) cross peaks in the 2D synchronous spectra can be used to reflect intermolecular interaction reliably, since interference portions that have nothing to do with intermolecular interaction are completely removed, and (2) the two-dimensional synchronous spectrum produced can effectively avoid accidental collinearity. Hence, the correct number of nonzero eigenvalues can be obtained so that the number of chemical reactions can be estimated.

Enteric polymer based on pH-responsive aliphatic polycarbonate functionalized with vitamin E to facilitate oral delivery of tacrolimus.

To improve the bioavailability of orally administered drugs, we synthesized a pH-sensitive polymer (poly(ethylene glycol)-poly(2-methyl-2-carboxyl-propylene carbonate)-vitamin E, mPEG-PCC-VE) attempting to integrate the advantages of enteric coating and P-glycoprotein (P-gp) inhibition. The aliphatic polycarbonate chain was functionalized with carboxyl groups and vitamin E via postpolymerization modification. Optimized by comparison and central composite design, mPEG113-PCC32-VE4 exhibited low critical micelle concentration of 1.

Stealth CD44-targeted hyaluronic acid supramolecular nanoassemblies for doxorubicin delivery: probing the effect of uncovalent pegylation degree on cellular uptake and blood long circulation.

Stealth active targeting nanoparticles (NPs) usually include two types of ligand sites: ligand anchored on distal ends of the polyethylene glycol (PEG) and ligand buried under pegylated layer. The latter typical case is hyaluronic acid (HA)-based NPs; however, there is little information available for the latter NPs about effect of the optimal density of surface PEG coating on the blood circulation time, cellular uptake and in vivo anticancer activity. Thus, in this study, in order to optimize the anticancer effects of HA-based NPs, we focus on how uncovalent pegylation degree modulates blood circulation time and cellular uptake of HA-based NPs.