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Infrared (IR) spectroscopy, a type of vibrational spectroscopy, provides extensive molecular structure details and is a highly effective technique for chemists to determine molecular structures. However, analyzing experimental spectra has always been challenging due to the specialized knowledge required and the variability of spectra under different experimental conditions. Here, we propose a transformer-based model with a patch-based self-attention spectrum embedding layer, designed to prevent the loss of spectral information while maintaining simplicity and effectiveness. To further enhance the model’s understanding of IR spectra, we introduce a data augmentation approach, which selectively introduces vertical noise only at absorption peaks. Our approach not only achieves state-of-the-art performance on simulated data sets but also attains a top-1 accuracy of 55% on real experimental spectra, surpassing the previous state-of-the-art by approximately 10%. Additionally, our model demonstrates proficiency in analyzing intricate and variable fingerprint regions, effectively extracting critical structural information.

As core components of increasing power density, the new generation wide bandgap (WBG) power semiconductor modules are advancing toward higher voltage levels. However, the reliability of packaging insulation serves as a significant constraint, notably concerning the insulation degradation induced by high temperatures working conditions within confined spaces. In this article, a simplified power module test model featuring a directed bonding copper (DBC) and silicone gel was established. Through partial discharge (PD) tests across temperatures spanning 25 °C–175 °C and different etching distances for substrate layout, the insulation degradation mechanism of power modules at varying temperatures is comprehensively explored. The results indicate an obvious reduction in the PD inception voltage (PDIV) with rising temperature, exhibiting an uptrend over 75 °C. Simultaneously, the discharge amplitude initially increases and subsequently decreases with rising temperature. The thermal expansion of tiny air-gap defects within the silicone gel emerges as a significant factor influencing the module’s insulation characteristics. Ultimately, by establishing a proportional air-gap defect model, the electric field and space charge distribution were studied under electrothermal coupling, validating the effectiveness of the insulation defect mechanism.

Hydrogen-blended natural gas (HBNG) can utilize existing natural gas pipelines and infrastructure for hydrogen transportation. However, the introduction of HBNG pipelines into utility tunnel gas chambers leads to an increased risk of pipeline leakage and diffusion. Consequently, a numerical model for the gas chamber in the utility tunnel is constructed in this study, and the risks of HBNG leakage incidents under different scenarios are analyzed by using detector alarm times, hazardous areas, and combustible cloud volumes as indicators. Targeted hazard control measures for HBNG leakage incidents are proposed from two aspects: optimizing the detector alarm system and enhancing the ventilation system. The results show that under different hydrogen blending ratios (HBRs), leak hole diameters, ventilation speeds, and operating pressures, detectors located directly above the leak hole can rapidly detect leaking gas. However, when gas leaks from the bottom of the pipe (at 6 o′clock) or the leak hole is positioned in the middle downwind, the detector directly above the leak hole may not give an immediate alarm. The alarm time of the furthest detector from the leak hole is inversely correlated with the HBR, leak hole diameter, ventilation speed, and pipeline operating pressure, while the leakage direction has no significant impact on the alarm time for this detector. The diameter of the leak hole, its location, and the ventilation speed are the main factors influencing the extent of hazardous areas and the volume of combustible clouds after natural gas and HBNG leaks within the gas chamber. Additionally, the leak pressure is a key factor affecting the volume of the combustible cloud after the leakage of natural gas and HBNG in the chamber. When the wind speed in the chamber is 4 m/s and the pipeline operating pressure is 0.8 MPa, compared to other leakage scenarios, the hazardous area and the volume of the combustible cloud formed by the gas leakage are largest when the leak hole is located near the inlet. For HBRs of 10 % and 20 %, setting the installation spacing of methane detectors in the chamber to be less than or equal to 13.5 m and 9.5 m respectively, along with adjusting the positions of the vents, can effectively mitigate the impact of accidents.

Prostate is a zinc rich organ and the physiological function of the abundant zinc ions is relatively less understood. AKT kinase is a pivotal regulator downstream of cytokines, growth factors and other extracellular stimuli, and the attachment of its PH domain to PtdIns-3,4,5-P3 (PIP3) and the subsequent phosphorylation of its kinase domain by PDPK1 are considered important for its activation. Herein, we report a regulatory mechanism of AKT kinase by zinc ions. Mechanistically, zinc ions directly bind to AKT and facilitate AKT activation through disrupting the interaction between PH and kinase domains within AKT molecule. Consistently, AKT1-H89A/E91A mutant (zinc-binding-deficient) fails to respond to zinc ions and exhibits strong interaction between PH and kinase domains, and it is less oncogenic in orthotopic xenograft model of prostate cancer. On the other hand, the AKT1-W80L mutant with minimum intra-molecular interaction between PH and kinase domains shows strong tumor promoting capacity although it could not be further stimulated by zinc ions. Overall, this study reveals a distinctive regulatory mechanism of AKT activation and implies a tumor promoting role of the zinc ions in prostate cancer.

An alginate lyase (FsAly7) from Flammeovirgasp. was engineered by directed evolution to improve its optimum temperature and thermostability. The optimum temperature of the positive mutant mFsAly7 (FsAly7-Ser43Pro) was increased by 5 °C, and the thermal inactivation half-lives at 40 and 45 °C were 4.4 and 5.6 times higher than those of FsAly7, respectively. mFsAly7 was expressed in high levels in Pichia pastoriswith the highest yield of 3125.5 U·mL–1. On the property-improved enzyme, a bioconversion strategy was developed to prepare the Laminaria japonicahydrolysate, and the highest AOS yield (29.5 mg·mL–1) was 1.5 times higher than that of FsAly7. Moreover, the application potential of the L. japonicahydrolysate as an organic fertilizer was evaluated. The addition of L. japonicahydrolysate improved the sprouting rate, fresh mass, seedling height, and stem diameter of the buckwheat sprouts. Therefore, mFsAly7 may be a good candidate for the production of seaweed fertilizers from L. japonica.

The development of sustainable and efficient synthetic methodologies for high-valued chemicals from renewable resources is one of the principal aims of chemical industries. Herein, we document the combination of photocatalytic PCET and SCS-enabled direct C-H benzylation of N-heteroarenes with benzaldehydes as the benzyl sources. A variety of benzylated N-heteroarenes was obtained in moderate to excellent yields at room temperature under metal-, oxidant-free and mild conditions in continuous-flow mode. Mechanistic studies indicated that this benzylation proceeded via PCET activation of benzaldehydes to yield ketyl radicals, the addition of the ketyl radicals to N-heteroarenes to form C-C(OH) bonds, the SCS cleavage to produce benzylic radical and HAT process to deliver the benzylated products.

In this letter, a compact wide-beam open-loop antenna is presented for small flight vehicle communication applications. The object is comprised of a disc-shaped metal pedestal and a vertical substrate. The primary radiated structure is the open loop, which is printed on the vertical substrate and fed by an edge coaxial line. Wide beam characteristics have been verified at 3.542 GHz to 3.612 GHz, with a half-power beamwidth (HPBW) of 278° and 240° in the xoz- and yoz-planes, respectively. The total dimensions are calculated as π × 0.2λ0 × 0.2λ0 × 0.09λ0, where λ0 represents the wavelength of the central frequency in free space. The suggested design prototype has been fabricated and evaluated inside the microwave anechoic chamber, and the measured results closely correspond to the simulated. With its wide beam, compact size, lightweight, and affordable price, the suggested design is anticipated to be a good candidate for small flight vehicle applications.

Thermoelectric (TE) generators based on bismuth telluride (Bi2Te3) are recognized as a credible solution for low-grade heat harvesting. In this study, an combinative doping strategy of both the donor (Ag) and the acceptor (Ga) in Ag9GaTe6as dopants is developed to modulate the microstructure and improve the ZTvalue of p-type Bi0.4Sb1.6Te3. Specifically, the distribution of Ag and Ga in the matrix synergistically introduces multiple phonon scattering centers including lath twins, triple junction boundaries, and Sb-rich nanoprecipitates, leading to an obviously suppressed lattice thermal conductivity of 0.50 W m−1K−1at 300 K. At the same time, such unique microstructures of lath twins synergistically enhance the room-temperature power factor to 48.8 μW cm−1K−2and improve the Vickers hardness to 0.90 GPa. Consequently, a high ZTof 1.40 at 350 K and ZTaveof 1.24 (300–500 K) are achieved in the Bi0.4Sb1.6Te3+ 0.03 wt% Ag9GaTe6sample. Based on that, a competitive conversion efficiency of 6.5% at ΔT= 200 K is obtained in the constructed 17-couple TE module, which exhibits no significant change in the output property after 30 thermal cycle tests benefiting from the stable microstructure.

A staged inhibition strategy based on the characteristics of different growth stages of lithium dendrites is first proposed to prevent puncture short circuit and achieve high safety battery.

During chemical reactions, especially for electrocatalysis and electrosynthesis, the electric field is the most central driving force to regulate the reaction process. However, due to the difficulty of quantitatively measuring the electric field effects caused at the microscopic level, the regulation of electrocatalytic reactions by electric fields has not been well digitally understood yet. Herein, we took the infrared/Raman spectral signals of CO2molecules as descriptors to quantitatively predict the effects of different electric fields on the catalytic properties. Taking the metal-doped graphitic C3N4(g-C3N4) catalyst as an example, we theoretically investigated the adsorption mode and energy of CO2molecules adsorbed on 27 distinct metal single-atom catalysts under different directions and intensities of electric field. Through a machine learning approach, a spectroscopy-property model between infrared/Raman spectral descriptors and adsorption energy/charge transfer was established, which quantified the facilitation of electric field effects on the CO2catalytic conversion. Meanwhile, based on the attention mechanism, the catalytic insight of the relationship between spectra and adsorption modes was mined, and the inverse prediction of electric field strength from spectra was realized. This work opens a new quantitative pathway for monitoring and regulating electrocatalytic reactions using machine learning spectroscopy.

An intriguing P–H insertion of arylhalodiazirines with H-phosphorus oxides under ultraviolet-light irradiation is described. This methodology provides an efficient and straightforward route to the construction of a variety of α-halophosphorus oxides in good yields (≤95%), which represents a unique example of P–H insertion of α-halocarbenes for C–P bond formation. The metal-free protocol features the advantages of mild reaction conditions, high atom economy, and environmental friendliness.

In this paper, the Lie group method is applied to analyze the (2+1)-dimensional Burgers equation with Caputo fractional derivative. The infinitesimal generators of the equation are investigated. Then, using the Lie point symmetry of the equation, a one-dimensional optimal system is constructed. Subsequently, within the framework of the optimal system, the equation is symmetrically simplified and the exact solutions of the original equation are determined using the invariant subspace method and the homogeneous balance method. In the process of simplifying the equation to a (1+1)-dimensional fractional differential equation, it is deliberately avoided to use complex Erdélyi-Kober fractional derivative operator. Instead, a simple transformation is utilized to obtain a low-dimensional fractional differential equation. Finally, based on the concept of nonlinear self-adjointness, the conservation laws of the fractional differential equation are obtained.

Glycyrrhetinic acid (GA) has been shown to promote growth characteristics and play a crucial role in anti-inflammatory responses in animals. To investigate the effects of dietary GA supplementation on growth performance, intestinal inflammation, and intestinal barrier protection in largemouth bass (Micropterus salmoides) fed a high-fat diet (HFD), a 77-day feeding experiment was conducted. A total of 750 largemouth bass, initially averaging 17.39 ± 0.09 g in body weight, were randomly allocated to five experimental groups and fed a control diet, a HFD, and the HFD diet supplemented with GA at either 0.5, 1.0, or 1.5 mg/kg, named as control, HDF, HFD + GA 0.5, HFD + GA 1.0, and 1.5 HFD + GA 1.5, respectively. Each group contained three replicates. The study revealed that dietary GA improved final body weight (P < 0.001), percent weight gain (P = 0.041), and feed intake (P < 0.001), all of which had been affected by a HFD in largemouth bass (P < 0.05). Supplementation of HFD with 1.0 mg/kg GA increased the mRNA expressions and protein levels of corresponding tight junctions, occludin, zonula occluden-1 (ZO-1) and claudin-1 in the intestines of largemouth bass. Furthermore, the addition of HFD with both of 0.5 and 1.0 mg/kg GA decreased the mRNA expressions of pro-inflammatory genes such as interleukin-1β (IL-1β), IL-18, and cysteinyl aspartate specific proteinase 1 (caspase-1), as well as proteins associated with pyroptosis-induced inflammation, including NOD-like receptor family and pyrin domain contain 3 (NLRP3), apoptosis-associated speck-like protein containing a C-terminal caspase recruitment domain (ASC), gasdermin E (GSDME), and N-terminal domain of GSDME (GSDME-N) (P < 0.05). Finally, dietary GA supplementation alleviated mitochondrial damage and reduced reactive oxygen species (ROS) production induced by the HFD. It is concluded that GA supplementation in HFD enhances growth performance, increases mRNA expression and protein levels of tight junction-related parameters, decreases mRNA expression and protein levels of pyroptosis-related genes, and alleviates intestinal mitochondrial injury and inflammation induced by HFD.

Lithium–sulfur batteries (LSBs), as very promising lithium-ion batteries, have received widespread attention from researchers. However, the low conductivity of sulfur in lithium sulfur batteries and the significant volume expansion during charging and discharging seriously affect the high rate performance of the battery, hindering its practical application. In this study, we designed bifunctional 3D covalent organic frameworks (COFs) with interconnected nanostructures and significant catalytic activity by connecting flexible cycloocta thiophene blocks with porphyrin units. 3D COFs act as catalytic nanotraps in the cathode of LSBs, providing confinement and chemical adsorption of lithium polysulfides, thereby improving the redox kinetics of sulfur. The acceleration of Li2S nucleation by Ni-porphyrin active centers, as confirmed through in situ X-ray diffraction and Raman spectroscopy, enhances polysulfide conversion kinetics, further improving battery performance. The constructed battery that incorporates the 3D COF exhibits a minor fading trend of only 0.05% per cycle over 500 cycles at 1 C, outperforming commercial carbon nanotubes. Additionally, under lean electrolyte conditions and high sulfur loading, the 3D COF shows promise as a practical solution for high-energy-density LSBs, achieving an actual area capacity of 7.0 mAh cm–2at 0.2 C. This research sets a solid foundation for the tailored design of COFs-based bifunctional catalytic nanotraps that can serve dual roles as both host materials and electrocatalysts in Li–S batteries.

Reversible solid oxide cells (RSOCs) are state-of-the-art all-solid-state energy conversion devices that operate as either solid oxide fuel cells (SOFCs) or solid oxide electrolysis cells (SOECs), with the oxygen electrode playing a critical role in both the oxygen reduction (ORR) and oxygen evolution (OER) reactions. Herein, PrBaCo1.5Fe0.5O5+δ(PBCF) is modified via double deficiency modulation of the A-site to improve its performance as an RSOC oxygen electrode. The cation-deficient variant, Pr0.97Ba0.97Co1.5Fe0.5O5+δ(PBCF97), exhibits a balanced oxygen vacancy concentration and ionic conductivity. RSOCs using PBCF97-Gd0.1Ce0.9O2(GDC) as the oxygen electrode achieve a peak power density of 1.685 W/cm2in SOFC mode and a current density of 2.61 A/cm2at an electrolytic voltage of 1.5 V in SOEC mode at 800 °C. In addition, the cell demonstrates stable reversible operation for 160 h, highlighting its potential for advanced RSOC applications.

A rigid nicotinate-modified lanthanide-substituted selenotungstate [H2N(CH3)2]6Na3H[La4SeW8(H2O)16(nica)2O28][SeW9O33]2·32H2O (1, Hnica = nicotinic acid) was synthesized and consists of two trivacant Keggin [B-α-SeW9O33]8–fragments and one unusual [SeW4O18]8–fragment bridged by a heterometallic [La4W4(H2O)16(nica)2O28]18–cluster. In the heterometallic cluster, two carboxyl O atoms in two nicotinate ligands directly coordinate with two W atoms in a stable C–O–W–O–W–O six-membered ring fashion. According to its catalase-like activity, 1was utilized to catalyze the oxidation of 3,3′,5,5′-tetramethylbenzidine (TMB) by H2O2to produce blue oxidized TMB (ox-TMB), which can be used to establish a colorimetric sensing method for the detection of ascorbic acid. This work not only provides a promising platform for detecting H2O2and ascorbic acid but also expands the application potential of polyoxometalate-based materials in biological and clinical analyses.

Ru-based electrocatalysts hold great promise for developing affordable proton exchange membrane (PEM) electrolyzers. However, the harsh acidic oxidative environment of the acidic oxygen evolution reaction (OER) often causes undesirable overoxidation of Ru active sites and subsequent serious activity loss. Here, we present an ultrathin and conformal depletion layer attached to the Schottky heterojunction of core/shell RuCo/RuCoOxthat not only maximizes the availability of active sites but also improves its durability and intrinsic activity for acidic OER. Operando synchrotron characterizations combined with theoretical calculations elucidate that the lattice strain and charge transfer induced by Schottky heterojunction substantially regulate the electronic structures of active sites, which modulates the OER pathway and suppresses the overoxidation of Ru species. Significantly, the closed core/shell architecture of the RuCo/RuCoOxensures the structure integrity of the Schottky heterojunction under acidic OER conditions. As a result, the core/shell RuCo/RuCoOxSchottky heterojunction exhibits an unprecedented durability up to 250 0 h at 10 mA cm–2with an ultralow overpotential of ∼170 mV at 10 mA cm–2in 0.5 M H2SO4. The RuCo/RuCoOxcatalyst also demonstrates superior durability in a proton exchange membrane (PEM) electrolyzer, showcasing the potential for practical applications.

Dendrimers are branched polymers with wide applications to photosensitization, photocatalysis, photodynamic therapy, photovoltaic conversion, and light sensor amplification. The primary step of numerous photophysical and photochemical processes in many molecules involves ultrafast coherent electronic dynamics and charge oscillations triggered by photoexcitation. This electronic wavepacket motion at short times where the nuclei are frozen is known as attosecond charge migration. We show how charge migration in a dendrimer can be manipulated by placing it in an optical cavity and monitored by time-resolved X-ray diffraction. Our simulations demonstrate that the dendrimer charge migration modes and the character of photoexcited wave function can be significantly influenced by the strong light-matter interaction in the cavity. This presents a new avenue for modulating initial ultrafast charge dynamics and subsequently controlling coherent energy transfer in dendritic nanostructures.

Brazing, an important welding and joining technology, can achieve precision joining of materials in advanced manufacturing. And the first principle calculation is a new material simulation method in high-throughput computing. It can calculate the interfacial structure, band structure, electronic structure, and other properties between dissimilar materials, predicting various properties. It plays an important role in assisting practical research and guiding experimental designs by predicting material properties. It can largely improve the quality of welded components and joining efficiency. The relevant theoretical foundation is reviewed, including the first principle and density functional theory. Exchange–correlation functional and pseudopotential plane wave approach was also introduced. Then, the latest research progress of the first principle in brazing was also summarized. The application of first principle calculation mainly includes formation energy, adsorption energy, surface energy, adhesion work, interfacial energy, interfacial contact angle, charge density differences, density of states, and mulliken population. The energy, mechanical, and electronic properties were discussed. Finally, the limitations and shortcomings of the research in the first principle calculation of brazed interface were pointed out. Future developmental directions were presented to provide reference and theoretical basis for realizing high-throughput calculations of brazed joint interfaces.

Ni-based coating, a kind of surface material, is characterized by high hardness, outstanding wear resistance, and excellent corrosion resistance. Ni-based coatings doped with hard phases can improve the coating quality. This is an important topic in related fields. Compared with traditional Ni-based coatings, Ni-based coatings doped with a hard phase have stronger competitive advantages. Among these, Ni-based diamond composite coatings have superior performance. Hence, it has become a kind of excellent functional coating. We outline the current state of research on Ni-based diamond composite coatings. Advances in seven preparation processes for Ni-based diamond composite coatings were discussed. These processes mainly include brazing, electrodeposition, sintering, laser cladding, plasma spraying, supersonic laser deposition, and vacuum cladding. The latest studies on the interfacial behavior, microstructure, and bond strength of these composite coatings are also summarized. The deficiencies for present Ni-based diamond composite coatings are pointed out. Meanwhile, the developmental directions of related fields are envisioned. That could provide theoretical guidance and reference information for research and technological development in the near future.

The oncogenic potential of chromosome 8q22 copy number gain in liver cancer remains to be depicted. Here, we report that ZNF706, encoded by a gene mapped to chromosome 8q22, is a C2H2-type zinc finger protein. However, the biological function and mechanism of ZNF706 have been poorly investigated. Clinically, ZNF706 expression was elevated in hepatocellular carcinoma (HCC), and high ZNF706 expression was associated with unfavorable survival in HCC patients. Functional experiments revealed that ZNF706 knockdown inhibited HCC progression both in vitro and in vivo. RNA sequencing (RNA-seq) and chromatin immunoprecipitation-based deep sequencing (ChIP-seq) revealed that mechanistically, ZNF706 is a crucial ferroptosis regulator and that SLC7A11 is a critical target of ZNF706. In addition, ZNF706 knockdown inhibited SLC7A11 expression, increased lipid peroxidation, and promoted ferroptosis. Further analysis revealed that ZNF706 is a novel direct target transcriptionally activated by MYC in HCC cells. Importantly, MYC depletion reduced SLC7A11-mediated redox homeostasis, and this effect was reversed by ZNF706 reexpression. Collectively, our data demonstrate that ZNF706 is a potential oncogene in liver cancer and functions as a ferroptosis regulator by modulating SLC7A11 expression, constituting a potential therapeutic target for HCC.

This study aimed to explore the correlation between hyperglycemia at intensive care unit (ICU) admission and the incidence of acute kidney injury (AKI) in patients after cardiac surgery.

The types and contents of phyllosilicate minerals in soils play an important role in soil acidification, as soil acid buffering capacity varies with the composition of the phyllosilicate minerals. In addition to aluminum-oxygen (Al-O) octahedrons, a certain number of Al-O tetrahedrons exist in phyllosilicate minerals due to the isomorphic substitution of silicon ion (Si4+) by aluminum ion (Al3+) in Si-O tetrahedrons of minerals. However, the effect of the two coordination structures of Al on the release of Al during mineral acidification has not yet been investigated. Therefore, the differences in Al activation in phyllosilicate minerals and soils with different Al coordination structures were investigated through constant-pH experiments and 27Al magic-angle spinning nuclear magnetic resonance (MAS-NMR) measurements. The results of 27Al MAS-NMR spectra showed that kaolinite contained Al-O octahedrons, phlogopite and illite contained Al-O tetrahedrons, and vermiculite composite contained both octahedral and tetrahedral Al. At pH < 5.1, the content of Al released from minerals during simulated acidification followed the order: illite > vermiculite composite > phlogopite > kaolinite, which was consistent with the orders of cation exchange capacity and content of tetrahedral Al of the minerals. According to the rate constants, the Al release rates were in the order of phlogopite > illite > vermiculite composite > kaolinite at pH 4.8. Except for phlogopite, the Al release rates in these minerals increased with decreasing suspension pH. Therefore, the Al release contents and rates were greater in phlogopite, illite, and vermiculite composite containing Al-O tetrahedrons than in kaolinite containing only Al-O octahedrons. Two Oxisols derived from basalt with different ages were selected for similar studies. The 27Al MAS-NMR spectra of the Oxisols showed that the 0.01-million-year (Ma) Oxisol contained both octahedral and tetrahedral Al, while the 1.33-Ma Oxisol contained only Al-O octahedrons. The contents of both exchangeable and soluble Al released from the 0.01-Ma Oxisol were greater than those from the 1.33-Ma Oxisol when the two soils were acidified to the same pH. The results from minerals and soils confirmed that Al was more readily released into solution and exchangeable sites as soluble and exchangeable Al in Al-O tetrahedrons than in Al-O octahedrons during the acidification of soils and minerals. The findings of this study will provide useful references for investigating the mechanisms of solid phase Al release and for mitigating soil acidification and inhibiting Al activation in different soil types.

An efficient photocatalytic protocol combining heterogeneous semiconductors as photocatalysts and NHPI as a redox reagent was disclosed. Under this protocol, 3-sulfonylquinolines were formed in up to 92% yield via a multicomponent radical cascade annulation. Good substituent tolerance and gram-scale reaction showed the potential in fine chemicals modification and pharmaceutical synthesis.

High-entropy alloys (HEAs) present both significant potential and challenges for developing efficient electrocatalysts due to their diverse combinations and compositions. Here, we propose a procedural approach that combines high-throughput experimentation with data-driven strategies to accelerate the discovery of efficient HEA electrocatalysts for the hydrogen evolution reaction (HER). This enables the rapid preparation of HEA arrays with various element combinations and composition ratios within a model system. The intrinsic activity of the HEA arrays is swiftly screened using scanning electrochemical cell microscopy (SECCM), providing precise composition–activity data sets for the HEA system. An ensemble machine learning (EML) model is then used to predict the activity database for the composition subspace of the system. Based on these database results, two groups of promising catalysts are recommended and validated through actual electrocatalytic evaluations. This procedural approach, which combines high-throughput experimentation with data-driven strategies, provides a new pathway to accelerate the discovery of efficient HEA electrocatalysts.

Objective: In recent years, the early diagnosis and treatment of coronary microvascular dysfunction (CMD) have become crucial for preventing coronary heart disease. This paper aims to develop a computer-assisted autonomous diagnosis method for CMD by using ECG features and expert features. Approach: Clinical electrocardiogram (ECG), myocardial contrast echocardiography (MCE), and coronary angiography (CAG) are used in our method. Firstly, morphological features, temporal features, and T-wave features of ECG are extracted by multi-channel residual network with BiLSTM (MCResnet-BiLSTM) model and the multi-source T-wave features (MTF) extraction model, respectively. And these features are fused to form ECG features. In addition, the CFR$_\text{MCE}$ is calculated based on the parameters related to the MCE at rest and stress state, and the Angio-IMR is calculated based on CAG. The combination of CFR$_\text{MCE}$ and Angio-IMR is termed as expert features. Furthermore, the hybrid features, fused from the ECG features and the expert features, are input into the multilayer perceptron to implement the identification of CMD. And the weighted sum of the softmax loss and center loss is used as the total loss function for training the classification model, which optimizes the classification ability of the model. Result: The proposed method achieved 93.36% accuracy, 94.46% specificity, 92.10% sensitivity, 95.89% precision, and 93.95% F1 score on the clinical dataset of the Second Affiliated Hospital of Zhejiang University. Conclusion: The proposed method accurately extracts global ECG features, combines them with expert features to obtain hybrid features, and uses weighted loss to significantly improve diagnostic accuracy. It provides a novel and practical method for the clinical diagnosis of CMD.

SiO/C anode materials have gained significant attention due to their high specific capacity and environmental friendliness in high-energy-density lithium-ion batteries (LIBs). However, due to the volume effect generated during the long-term cycle, the battery capacity will decay rapidly and cause thermal safety problems. PFPN/TTFEB is employed as a compound electrolyte additive in this study to enhance the electrochemical performance and safety of Li/SiO@C batteries. The blank control electrolyte (BE) is the commercial electrolyte, which is 1.0 M LiPF6dissolved in ethylene carbonate (EC) and ethyl methyl carbonate (EMC) at a 3:7 vol/vol ratio. The battery with the PFPN/TTFEB addition demonstrated a substantially higher capacity retention rate than the battery with BE, increasing from 45.23 % to 74.34 %, as indicated by the electrochemical and characterization test results. This suggests that the cycling stability of the battery was improved by the synergistic influence of ethoxy(pentafluoro)cyclotriphosphazene (PFPN) and tris(2,2,2-trifluoroethyl) borate (TTFEB). In addition, a LiF-rich solid electrolyte interphase layer was observed on the surface of the anode, increasing interface stability by reducing the direct contact between the electrolyte and electrode. Differential scanning calorimetry, thermogravimetric analysis, and thermokinetic analysis revealed that the addition of PFPN/TTFEB increased apparent activation energy from 439.56 to 1090.01 kJ/mol and increased initial exothermic reaction temperature from 233.67 to 292.83 °C. The thermal stability of the battery also considerably increased, and the exothermic reaction was substantially delayed. Overall, the multifunctional electrolyte additive developed in this study offers a feasible pathway for developing LIBs with excellent cycling performance and safety.