Application of static integrated skeletal reduction and tabulation of dynamic adaptive chemistry in the combustion simulation of ethylene-fueled scramjet combustor.

The high-fidelity reduced mechanism is one of the key elements in the combustion simulation of scramjet combustors to reveal their combustion and flow phenomena. In the present work, the hierarchically constructed NUIGMech1.2 (2857 species and 11 814 reactions) is applied to the combustion simulation of an ethylene-fueled scramjet combustor using the method of static integrated skeletal reduction and tabulation of dynamic adaptive chemistry (TDAC). The integrated skeletal reduction strategy successively consists of species elimination using the revised directed relation graph with error propagation method of fixed species scheme and improved sensitivity analysis method, and reactions elimination based on computational singular perturbation importance index. A preferred ethylene skeletal mechanism (26 species and 117 reactions) is obtained through the integrated skeletal reduction strategy under target working conditions of temperature range of 900-1800 K, pressure range of 1-4 atm, and equivalence ratio range of 0.25-5.0. The compact skeletal mechanism is comprehensively validated against the experimental results of ignition delay times, laminar flame speeds, and key species concentration profiles. Meanwhile, it shows consistent results with the detailed mechanism on the adiabatic flame temperature profiles and "S"-curves. When applying this skeletal mechanism to combustion simulations of ethylene-fueled scramjet combustor with double parallel cavities, the path flux analysis method and in situ adaptive tabulation algorithm of TDAC is further utilized to speed up the chemical reaction solution process at run-time. Under the scramjet and ramjet modes, the corresponding simulation results in terms of flame luminosity images, schlieren images, and static pressure distributions, coincide well with those of experimental measurements. The combustion and flow characteristics of the two modes are investigated and analyzed comparatively based on above results and combustion performance parameters. Present work contributes to the application of fuel kinetic mechanisms in scramjet combustor combustion simulation.

Naphtho[1,8-ef]isoindole-7,8,10(9H)-trione as novel theranostic agents for photodynamic therapy and multi-subcellular organelles localization.

A series of naphtho[1,8-ef]isoindole-7,8,10(9H)-trione as novel theranostic agents for photodynamic therapy and multi-subcellular organelles localization were designed and synthesized. Most of them possess moderate fluorescence quantum yield and long wavelength absorption simultaneously, these made them possible for dual effects of imaging and therapy. Especially, 7b and 7d exhibited significant light-toxicity but slight dark-toxicity. Confocal fluorescence microscopy experiments demonstrated that 7b can locate and image in special multi-subcellular organelles. All the research results implied that carbonyl-phenalene-2,3-dicarboximides derivatives can be applied as a new series of theranostic agents with the characteristics of photodynamic therapy and multi-subcellular organelles imaging.

Incorporating Machine Learning Strategies to Smart Gloves Enabled by Dual-Network Hydrogels for Multitask Control and User Identification.

Smart gloves are often used in human-computer interaction scenarios due to their portability and ease of integration. However, their application in the field of information security has been less studied. Herein, we propose a smart glove using an iontronic capacitive sensor with significant pressure-sensing performance. Besides, an operator interface has been developed to match the smart glove, which is capable of multitasking integration of mouse movement, music playback, game control, and message typing in Internet chat rooms by capturing and encoding finger-tapping movements. In addition, by integrating machine learning, we can mine the characteristics of individual behavioral habits contained in the sensor signals and, based on this, achieve a deep binding of the user to the smart glove. The proposed smart glove can greatly facilitate people's lives, as well as explore a new strategy in research on the application of smart gloves in data security.

eEF1A2 promotes PTEN-GSK3ß-SCF complex-dependent degradation of Aurora kinase A and is inactivated in breast cancer.

The translation elongation factor eEF1A promotes protein synthesis. Its methylation by METTL13 increases its activity, supporting tumor growth. However, in some cancers, a high abundance of eEF1A isoforms is associated with a good prognosis. Here, we found that eEF1A2 exhibited oncogenic or tumor-suppressor functions depending on its interaction with METTL13 or the phosphatase PTEN, respectively. METTL13 and PTEN competed for interaction with eEF1A2 in the same structural domain. PTEN-bound eEF1A2 promoted the ubiquitination and degradation of the mitosis-promoting Aurora kinase A in the S and G2 phases of the cell cycle. eEF1A2 bridged the interactions between the SKP1-CUL1-FBXW7 (SCF) ubiquitin ligase complex, the kinase GSK3ß, and Aurora-A, thereby facilitating the phosphorylation of Aurora-A in a degron site that was recognized by FBXW7. Genetic ablation of Eef1a2 or Pten in mice resulted in a greater abundance of Aurora-A and increased cell cycling in mammary tumors, which was corroborated in breast cancer tissues from patients. Reactivating this pathway using fimepinostat, which relieves inhibitory signaling directed at PTEN and increases FBXW7 expression, combined with inhibiting Aurora-A with alisertib, suppressed breast cancer cell proliferation in culture and tumor growth in vivo. The findings demonstrate a therapeutically exploitable, tumor-suppressive role for eEF1A2 in breast cancer.

High-sensitivity immunoassay on interdigitated electrode to detect osteoporosis biological marker.

Osteoporosis is with porous bones, which refers to a decrease in the bone mineral density and weakens the bones to become brittle. Osteoporosis often progresses without any pain or symptoms until the bone fractures. Monitoring the condition of bone regularly helps to identify the bone that weakens at its earlier stages. In general, radiological techniques have been used to measure bone mineral density, are expensive, and the procedures are complicated. Therefore, researchers are focusing on the alternative method of biomarker quantification to identify bone mineral density. This research work was focused on quantifying the osteoporosis biomarker of C-terminal telopeptide of type I collagen (CTX-I) on an interdigitated electrode (IDE) sensor. Gold nanomaterial-modified anti-CTX-I antibody was attached to silica nanomaterial-decorated IDE and then identified by CTX-I interaction. Higher immobilization of antibodies was recorded on diamond-modified IDE through gold nanoparticles, and detected CTX-I as low as 0.5 pg/mL [y = 1.5507x - 0.9043 R2 = 0.9715], determined on a linear curve at the range 0.5-3.5 ng/mL. Further, specific identification of CTX-I was confirmed by control performances with osteopontin, IL-6, and anti-IgG antibody.

Kirigami-Structured, Low-Impedance, and Skin-Conformal Electronics for Long-Term Biopotential Monitoring and Human-Machine Interfaces.

Epidermal dry electrodes with high skin-compliant stretchability, low bioelectric interfacial impedance, and long-term reliability are crucial for biopotential signal recording and human-machine interaction. However, incorporating these essential characteristics into dry electrodes remains a challenge. Here, a skin-conformal dry electrode is developed by encapsulating kirigami-structured poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS)/polyvinyl alcohol (PVA)/silver nanowires (Ag NWs) film with ultrathin polyurethane (PU) tape. This Kirigami-structured PEDOT:PSS/PVA/Ag NWs/PU epidermal electrode exhibits a low sheet resistance (≈3.9 Ω sq-1 ), large skin-compliant stretchability (>100%), low interfacial impedance (≈27.41 kΩ at 100 Hz and ≈59.76 kΩ at 10 Hz), and sufficient mechanoelectrical stability. This enhanced performance is attributed to the synergistic effects of ionic/electronic current from PEDOT:PSS/Ag NWs dual conductive network, Kirigami structure, and unique encapsulation. Compared with the existing dry electrodes or standard gel electrodes, the as-prepared electrodes possess lower interfacial impedance and noise in various conditions (e.g., sweat, wet, and movement), indicating superior water/motion-interference resistance. Moreover, they can acquire high-quality biopotential signals even after water rinsing and ultrasonic cleaning. These outstanding advantages enable the Kirigami-structured PEDOT:PSS/PVA/Ag NWs/PU electrodes to effectively monitor human motions in real-time and record epidermal biopotential signals, such as electrocardiogram, electromyogram, and electrooculogram under various conditions, and control external electronics, thereby facilitating human-machine interactions.

Capturing critical gem-diol intermediates and hydride transfer for anodic hydrogen production from 5-hydroxymethylfurfural.

The non-classical anodic H2 production from 5-hydroxymethylfurfural (HMF) is very appealing for energy-saving H2 production with value-added chemical conversion due to the low working potential (~0.1 V vs RHE). However, the reaction mechanism is still not clear due to the lack of direct evidence for the critical intermediates. Herein, the detailed mechanisms are explored in-depth using in situ Raman and Infrared spectroscopy, isotope tracking, and density functional theory calculations. The HMF is observed to form two unique inter-convertible gem-diol intermediates in an alkaline medium: 5-(Dihydroxymethyl)furan-2-methanol anion (DHMFM-) and dianion (DHMFM2-). The DHMFM2- is easily oxidized to produce H2 via H- transfer, whereas the DHMFM- is readily oxidized to produce H2O via H+ transfer. The increases in potential considerably facilitate the DHMFM- oxidation rate, shifting the DHMFM- ↔ DHMFM2- equilibrium towards DHMFM- and therefore diminishing anodic H2 production until it terminates. This work captures the critical intermediate DHMFM2- leading to hydrogen production from aldehyde, unraveling a key point for designing higher performing systems.

Discretized butterfly optimization algorithm for variable selection in the rapid determination of cholesterol by near-infrared spectroscopy.

The blood cholesterol level is strongly associated with cardiovascular disease. It is necessary to develop a rapid method to determine the cholesterol concentration of blood. In this study, a discretized butterfly optimization algorithm-partial least squares (BOA-PLS) method combined with near-infrared (NIR) spectroscopy is firstly proposed for rapid determination of the cholesterol concentration in blood. In discretized BOA, the butterfly vector is described by 1 or 0, which represents whether the variable is selected or not, respectively. In the optimization process, four transfer functions, i.e., arctangent, V-shaped, improved arctangent (I-atan) and improved V-shaped (I-V), are introduced and compared for discretization of the butterfly position. The partial least squares (PLS) model is established between the selected NIR variables and cholesterol concentrations. The iteration number, transfer functions and the performance of butterflies are investigated. The proposed method is compared with full-spectrum PLS, multiplicative scatter correction-PLS (MSC-PLS), max-min scaling-PLS (MMS-PLS), MSC-MMS-PLS, uninformative variable elimination-PLS (UVE-PLS), Monte Carlo uninformative variable elimination-PLS (MCUVE-PLS) and randomization test-PLS (RT-PLS). Results show that the I-V function is the best transfer function for discretization. Both preprocessing and variable selection can improve the prediction performance of PLS. Variable selection methods based on BOA are better than those based on statistics. Furthermore, I-V-BOA-PLS has the highest predictive accuracy among the seven variable selection methods. MSC-MMS can further improve the prediction ability of I-V-BOA-PLS. Therefore, BOA-PLS combined with NIR spectroscopy is promising for the rapid determination of cholesterol concentration in blood.

2D-Layer-Structure Bi to Quasi-1D-Structure NiBi3 : Structural Dimensionality Reduction to Superior Sodium and Potassium Ion Storage.

Layer-structured bismuth (Bi) is an attractive anode for Na-ion and K-ion batteries due to its large volumetric capacity and suitable redox potentials. However, the cycling stability and rate capability of the Bi anode are restricted by the large volume expansion and sluggish Na/K-storage kinetics. Herein, a structural dimensionality reduction strategy is proposed and developed by converting 2D-layer-structured Bi into a quasi-1D structured NiBi3 with enhanced reaction kinetics and reversibility to realize high-rate and stable cycling performance for Na/K-ion storage. As a proof of concept, the quasi-1D intermetallic NiBi3 with low formation energy, metallic conductivity, and 3D Na/K-ion diffusion pathways delivers outstanding capacity retention of 94.1% (332 mAh g-1 ) after 15 000 cycles for Na-ion storage, and high initial coulombic efficiency of 93.4% with improved capacity retention for K-ion storage. Moreover, investigations on the highly reversible Na/K-storage reaction mechanisms and cycling-driven morphology reconstruction further reveal the origins of the high reversibility and the accommodation to volume expansion. The finding of this work provides a new strategy for high-performance anode design by structural dimensionality manipulation and cycling-driven morphology reconstruction.

Comprehensive analysis of ferroptosis-related hub gene signatures as a potential pathogenesis and therapeutic target for systemic sclerosis: A bioinformatics analysis.

Introduction: The molecular mechanism of systemic sclerosis (SSc) remains unclear. Ferroptosis participates in a series of cell activities, such as inflammatory progression, by regulating cell death; unfortunately, there aren't many research that discuss the connection between ferroptosis and SSc.Objectives: This study used bioinformatics analysis to report a potential relationship between ferroptosis and SSc.Methods: The SSc and control datasets GSE125362 and GSE76807 were obtained from the gene expression omnibus database. The differentially expressed genes (DEGs) were identified using the R software. By the Venn diagram, ferroptosis DEGs were detected. The chosen candidate genes were then subjected to analyses of protein-protein interactions, gene ontology enrichment, and Kyoto Encyclopedia of Genes and Genomes pathway enrichment. With the Molecular Complex Detection plugin program, the hub genes were investigated. A multifactor regulatory network was constructed depending on key hub genes, and immune infiltration was also evaluated. Finally, quantitative real-time polymerase chain reaction (RT-PCR) and enzyme linked immunosorbent assay were used to validate the bioinformatic results.Results: Twenty-four ferroptosis-related differentially expressed genes were detected in patients with SSc versus the normal controls. The biological processes of FRGs in patients with SSc focused on the negative regulation of cell proliferation and inflammatory response. The signaling pathways were enriched in necroptosis. The core genes of SSc were CYBB, IL-6, NOX4,TLR4, CXCL2, JUN, and LY96. Three miRNAs, two lncRNAs, and five transcription factors were predicted. The evaluation of immune infiltration showed that the number of activated natural killer (NK) cells increased in SSc skin tissues, whereas the number of resting dendritic, NK, and mast cells decreased. The bioinformatics prediction results from the mRNA chip were in line with the expression levels of IL-6 and CYBB.Conclusions: Necroptosis and ferroptosis were upregulated in patients with SSc and involved in modulating cell proliferation, differentiation, and migration. IL-6 and CYBB are key ferroptosis-related genes in SSc. Ferroptosis and related genes might be promising targets in the treatment of SSc.

Pneumatosis cystoides intestinalis in dermatomyositis: a case series report and literature review.

Pneumatosis cystoides intestinalis (PCI) in adult dermatomyositis (DM) is rarely described. This report aimed to describe the clinical features and prognosis of PCI in six adult patients with DM (four with anti-MDA5 antibodies, one with anti-SAE antibodies, and one with anti-TIF-1γ antibodies). Except for one patient with transient abdominal pain, the remaining five patients were asymptomatic. PCI occurred in the ascending colon in all patients, of whom five had free gas in the abdominal cavity. No patients received excessive treatment, and PCI disappeared in four patients during the follow-up. Additionally, we reviewed previous studies on this complication.

Association of menstrual blood volume and reproductive outcomes in patients with caesarean scar pregnancy managed using uterine artery embolization and curettage.

This study aimed to assess the association of menstrual blood volumes (MBV) and reproductive outcomes in patients after uterine artery embolization (UAE) combined with curettage for caesarean scar pregnancy (CSP). This retrospective observational study enrolled women who underwent UAE plus curettage for CSP at the Interventional Department of Henan Provincial People's Hospital between December 2012 and December 2017. The primary outcome was pregnancy rate and the secondary outcomes were live birth rate (LBR) and interpregnancy interval. This study finally included 37 women (16 women with normal MBV and 21 women with decreased MBV) with pregnancy intention after UAE plus curettage for CSP. The pregnancy rate in women with normal MBV was higher than those with decreased MBV (81.3% vs. 47.6%; P = 0.048). There were no differences between the two groups regarding the interpregnancy interval (18.4 ± 8.7 vs. 22.2 ± 10.0 months, P = 0.233), and LBR (63% vs. 38%, P = 0.191). In conclusion, Women with normal MBV after UAE combined with curettage for CSP management might have a higher pregnancy rate compared with patients with decreased MBV, but there were no differences in LBR between the two groups.

H3N8 subtype avian influenza virus originated from wild birds exhibited dual receptor-binding profiles.

We present the phylogeny, receptor binding property, growth in mammal cells and pathogenicity in mammal model of H3N8 viruses, which were isolated from wild birds in China. The human receptor preference and efficient replication in mice without prior adaption highlight that the H3N8 virus possesses the public threat potential.

Surface Spin Enhanced High Stable NiCo2 S4 for Energy-Saving Production of H2 from Water/Methanol Coelectrolysis at High Current Density.

Nickel based materials are promising electrocatalysts to produce hydrogen from water in alkaline media. However, the stability is of great challenge, limiting its practical material functions. Herein, a new technique for electro-deposition flower-like NiCo2 S4 nanosheets on carbon-cloth (CC@NiCo2 S4 ) is proposed for energy-saving production of H2 from water/methanol coelectrolysis at high current density by constructing array architectures and regulating surface magnetism. The optimized and fine-tuned magnetism on the surface of the electrochemical in situ grown CC@NiCo2 S4 nanosheet array result in (0 1 -1) surface universally exposed, high catalytic activity for methanol electrooxidation, and long-term stability at high current density. X-ray photoelectron spectroscopy in combination of density functional theory calculations confirm the valence electron states and spin of d electrons for the surface of NiCo2 S4 , which enhance the surface stability of catalysts. This technology may be utilized to alter the surface magnetism and increase the stability of Ni-based electrocatalytic materials in general.

Coordination Effect-Promoted Durable Ni(OH)2 for Energy-Saving Hydrogen Evolution from Water/Methanol Co-Electrocatalysis.

Electrocatalytic water splitting is a viable technique for generating hydrogen but is precluded from the sluggish kinetics of oxygen evolution reactions (OER). Small molecule oxidation reactions with lower working potentials, such as methanol oxidation reactions, are good alternatives to OER with faster kinetics. However, the typically employed Ni-based electrocatalysts have poor activity and stability. Herein, a novel three-dimensional (3D)-networking Mo-doped Ni(OH)2 with ultralow Ni-Ni coordination is synthesized, which exhibits a high MOR activity of 100 mA cm-2 at 1.39 V, delivering 28 mV dec-1 for the Tafel slope. Meanwhile, hydrogen evolution with value-added formate co-generation is boosted with a current density of more than 500 mA cm-2 at a cell voltage of 2.00 V for 50 h, showing excellent stability in an industrial alkaline concentration (6 M KOH). Mechanistic studies based on density functional theory and X-ray absorption spectroscopy showed that the improved performance is mainly attributed to the ultralow Ni-Ni coordination, 3D-networking structures and Mo dopants, which improve the catalytic activity, increase the active site density and strengthen the Ni(OH)2 3D-networking structures, respectively. This study paves a new way for designing electrocatalysts with enhanced activity and durability for industrial energy-saving hydrogen production.

Monoterpenoid indole alkaloid dimers from Kopsia arborea inhibit cyclin-dependent kinase 5 and tau phosphorylation.

Three undescribed monoterpenoid indole alkaloid dimers (kopoffines A-C, which are connected via a methylene unit) and with nine known alkaloids were isolated and identified from the fruits of Kopsia arborea Blume. Their structures, including their absolute configurations, were established by HRESIMS, NMR, single-crystal X-ray diffraction, and ECD analyses. Kopoffines A-C showed significant inhibition against cyclin-dependent kinase 5 (IC50: 0.34-2.18 µM). Western blotting analyses showed that kopoffines A-C significantly decreased the protein levels of CDK5 and phospho-CDK5 (Tyr15) (pCDK5) at concentrations of 2.5 and 10 µM. The levels of phospho-Tau (Thr217) (pTau217, a new biomarker of AD), and phospho-Tau (Ser396) (pTau396), which play major roles in the formation of neurofibrillary tangles , were decreased by the kopoffines A-C treatment. Molecular docking studies indicated that kopoffines A-C could form stable interactions with CDK5.

Pt-Co Electrocatalysts: Syntheses, Morphologies, and Applications.

Pt-Co electrocatalysts have attracted significant attention because of their excellent performance in many electrochemical reactions. This review focuses on Pt-Co electrocatalysts designed and prepared for electrocatalytic applications. First, the various synthetic methods and synthesis mechanisms are systematically summarized; typical examples and core synthesis parameters are discussed for regulating the morphology and structure. Then, starting with the design and structure-activity relationship of catalysts, the research progress of the morphologies and structures of Pt-Co electrocatalysts obtained based on various strategies, the structure-activity relationship between them, and their properties are summarized. In addition, the important electrocatalytic applications and mechanisms of Pt-Co catalysts, including electrocatalytic oxidation/reduction and bifunctional catalytic reactions, are described and summarized, and their high catalytic activities are discussed on the basis of their mechanism and active sites. Moreover, the advanced electrochemical in situ characterization techniques are summarized, and the challenges and direction concerning the development of high-performance Pt-Co catalysts in electrocatalysis are discussed.

Unravelling the origin of long-term stability for Cs+ and Sr2+ solidification inside sodalite.

Cesium (Cs+) and strontium (Sr2+) ions are the main fission byproducts in the reprocessing of spent nuclear fuels for nuclear power plants. Their long half-live period (30.17 years for 137Cs and 28.80 years for 90Sr) makes them very dangerous radionuclides. Hence the solidification of Cs+ and Sr2+ is of paramount importance for preventing them from entering the human food chain through water. Despite tremendous efforts for solidification, the long-term stability remains a great challenge due to the experimental limitation and lack of good evaluation indicators for such long half-life radionuclides. Using density functional theory (DFT), we investigate the origin of long-term stability for the solidification of Cs+ and Sr2+ inside sodalite and establish that the exchange energy and the diffusion barrier play an important role in gaining the long-term stability both thermodynamically and kinetically. The acidity/basicity, solvation, temperature, and diffusion effect are comprehensively studied. It is found that solidification of Cs+ and Sr2+ is mainly attributed to the solvation effect, zeolitic adsorption ability, and diffusion barriers. The present study provides theoretical evidence to use geopolymers to adsorb Cs+ and Sr2+ and convert the adsorbed geopolymers to zeolites to achieve solidification of Cs+ and Sr2+ with long-term stability.

A General, Label-Free and Homogeneous Electrochemical Strategy for Probing of Protease Activity and Screening of Inhibitor.

Proteases play a critical role in regulating various physiological processes from protein digestion to wound healing. Monitoring the activity of proteases and screening their inhibitors as potential drug molecules are of great importance for the early diagnosis and treatment of many diseases. In this work, we reported a general, label-free and homogeneous electrochemical method for monitoring protease activity based on the peptide-copper interaction. Cleavage of peptide substrate results in the generation of a copper-binding chelator peptide with a histidine residue in the first or third position (His1 or His3) at the N-terminal. The redox potential and current of copper coordinated with the product are different from the free copper or the copper complex with the substrate, thus allowing for the detection of protease activity. Angiotensin-converting enzyme (ACE) and thrombin were determined as the model analytes. The label-free and homogeneous electrochemical method can be used for screening protease inhibitors with high simplicity and sensitivity.