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Thunderstorm gusts are a common form of severe convective weather in the warm season in North China, and it is of great importance to correctly forecast them. At present, the forecasting of thunderstorm gusts is mainly based on traditional subjective methods, which fails to achieve high-resolution and high-frequency gridded forecasts based on multiple observation sources. In this paper, we propose a deep learning method called Thunderstorm Gusts TransU-net (TG-TransUnet) to forecast thunderstorm gusts in North China based on multi-source gridded product data from the Institute of Urban Meteorology (IUM) with a lead time of 1 to 6 h. To determine the specific range of thunderstorm gusts, we combine three meteorological variables: radar reflectivity factor, lightning location, and 1-h maximum instantaneous wind speed from automatic weather stations (AWSs), and obtain a reasonable ground truth of thunderstorm gusts. Then, we transform the forecasting problem into an image-to-image problem in deep learning under the TG-TransUnet architecture, which is based on convolutional neural networks and a transformer. The analysis and forecast data of the enriched multi-source gridded comprehensive forecasting system for the period 2021–23 are then used as training, validation, and testing datasets. Finally, the performance of TG-TransUnet is compared with other methods. The results show that TG-TransUnet has the best prediction results at 1–6 h. The IUM is currently using this model to support the forecasting of thunderstorm gusts in North China. [ABSTRACT FROM AUTHOR]

Comprehensive Summary: An asymmetric synthesis of dihydrospirotryprostatin B was achieved in 15 steps (8 purifications) from L‐tryptophan. The main feature of our synthetic strategy is the efficient construction of spirocyclic oxindole intermediate containing a chiral quaternary carbon center, involving the silica gel‐mediated cyclization of tryptamine‐ynamide and oxidation under neat conditions. [ABSTRACT FROM AUTHOR]

Aqueous zinc metal batteries are regarded as one of the most promising alternatives to lithium–ion batteries for large‐scale energy storage due to the abundant zinc resources, high safety, and low cost. Herein, an ionic self‐concentrated electrolyte (ISCE) is proposed to enable uniform Zn deposition and reversible reaction of MnO2 cathode. Benefitting from the compatibility of ISCE with electrodes and its adsorption on the electrode surface for guidance, the Zn/Zn symmetrical batteries exhibit the long‐life cycle stability with more than 5000 and 1500 h at 0.2 and 5 mA cm−2, respectively. The Zn/MnO2 battery also exhibits a high capacity of 351 mA h g−1 at 0.1 A g−1 and can enable a stability over 2000 cycles at 1 A g−1. This work provides a new insight into electrolyte design for stable aqueous Zn–MnO2 battery. [ABSTRACT FROM AUTHOR]

On the basis of first principles, the effect of sulfur (S) defects on the photoelectric and magnetic properties of transition metal, alkali metal, and rare earth element doped CrS2 systems is studied. The modification of certain atoms reduces the formation energy of the CrS2 system under S vacancy defects (VS), resulting in a more stable defect structure. Studies of the electronic structure of monolayer CrS2 reveal that it possesses magnetic metal properties. By substituting Cr atoms, the transition metal (TM) is incorporated into the system, and magnetic modulation is achieved. Magnetic semi-metallic properties are exhibited by both the VS-deficient system and the mixed system of VS-deficient monolayer CrS2 doped with Mn, V, and Fe atoms, respectively. The bandgap is effectively opened for the Ni-doped VS hybrid system, and the system exhibits magnetic semiconductor properties. The optical properties demonstrate that the optical response range of La-doped materials has been significantly expanded and can be employed effectively in both the infrared and visible spectra. In varying degrees, the dopant atoms enhanced the optical properties of the VS system in the infrared light spectrum. The aforementioned findings open up new avenues for the design and experimental investigation of this material, in particular, optoelectronic materials and spin devices. [ABSTRACT FROM AUTHOR]

Context: In this paper, we systematically studied the effects of non-metallic element (B, C, N, O, F) doping and biaxial stretching on the photoelectric properties of ZrS2/ZrSe2 heterostructures by using the first-principles calculation method based on density functional theory. The results show that the p-type doping is realized by B, C, and N atom doping, and the n-type doping is realized by O and F atom doping. The doping of B and C atoms produces impurity energy levels in the band gap, which affects the conductivity of the heterostructure. The band gap of N and O atom–doped heterostructures increases under tensile strain, but it is still a direct band gap. The analysis of the optical properties of the heterostructures shows that the doping of non-metallic atoms can adjust the optical absorption rate and reflectivity of the heterostructures. Under the action of tensile strain, the optical properties of the doped heterostructures have changed significantly in the low-energy region. This article provides a theoretical basis for the future application of ZrS2/ZrSe2 heterostructures. Method: This paper uses the first-principles calculation method based on density functional theory. The PBE exchange-correlation functional based on generalized gradient approximation (GGA) is selected for the specific calculation, and the crystal structure is geometrically optimized by the ultrasoft pseudopotential method. It is verified that when the cutoff energy of the ZrS2/ZrSe2 heterostructure is 500 eV, the K-point grid is selected to be 10 × 10 × 2 with the lowest energy, so the cutoff energy is selected to be 500 eV. The K-point grid is selected to be 10 × 10 × 2. The convergence limits for structural optimization are as follows: the maximum force between atoms is 0.01 eV/Å, the convergence threshold of the maximum energy change is set to 10−9 eV/atom, and the convergence threshold of the maximum displacement is 0.001 Å. In order to avoid the influence of atomic periodic motion between different atomic layers, a vacuum layer of 20 Å is added in the vertical direction. Considering the interaction of vdW between the interfaces, the DFT-D2 method is used to verify. The optical properties were calculated by the random phase approximation method, and the K-point grid was selected as 12 × 12 × 2. [ABSTRACT FROM AUTHOR]

Background: While game‐based language learning (GBLL) in K‐12 education has received considerable attention, little is still known about its state‐of‐the‐art research trends over the last decade, necessitating a systematic review on its theoretical frameworks, instructional activities and research findings. Objectives: To fill the gap, drawing on the revised technology‐based learning model, this study aims to conduct a systematic review on the trends of GBLL for K‐12 education in terms of theoretical frameworks, participants, methodology, game genres, instructional activities and application effectiveness. Methods: Based on the proposed criteria, 83 Social Science Citation Index (SSCI) articles pertaining to GBLL in K‐12 education published during 2009–2022 were finalised for data analysis. Results and conclusions: The results showed that (1) most GBLL studies adopted cognitive and social frameworks, including flow theory, situated learning and socio‐cultural theory; (2) the most common participants were primary school students, and the most common languages were English as a foreign language (EFL) learning; (3) quantitative methods were frequently adopted, with a particular eye on tests, questionnaires and experimental design; (4) the most common game genre was tutorial games; (5) pre‐game instructional activities, such as gameplay training and lecture, were mostly implemented in K‐12 contexts; (6) benefits such as enhancing four language skills and communicative competence and improving learners' attitudes were reported. However, according to the results, technical issues, unhelpful partners, difficult learning tasks and high cognitive load were the most frequently reported drawbacks. Implications: Pedagogical implications for teachers, designers and researchers in GBLL were referred from the results of the study. [ABSTRACT FROM AUTHOR]

Based on three large ensemble (LE) historical simulations, this study explored the contribution of low‐frequency internal variability (IV) modes to global mean sea surface temperature anomaly (GmSST) during 1920–2010. The dominant contributions of low‐frequency IV modes to GmSST in the three large ensembles are quite different. The low‐frequency IV modes in the Indo‐Pacific Ocean (i.e., IPO and IOBW) dominate the low‐frequency GmSST signal for the CESM2 and MPI LEs (the ensemble median contribution value reaches 70%–80%), while the low‐frequency IV modes in the North Atlantic dominate for the FGOALS‐g3 LE (contribute more than 50%). CESM2 LE and MPI LE can reasonably reproduce the impact of low‐frequency modes in the Indo‐Pacific ocean as observed, but FGOALS‐g3 LE underestimates this impact and overestimates the extratropical impact (on GmSST) of the North Atlantic. After removing the external forcing, it still retains the excessive signs in low‐frequency IV modes in FGOALS‐g3 LE over the North Atlantic. Furthermore, we used a pattern adjustment approach to revise the surplus effect in the North Atlantic. After revision, the contribution of decadal IVs in the North Atlantic to GmSST is reduced by 30%. Meanwhile, the tropical contribution in the Indo‐Pacific Ocean is increased and that is closer to the observed one. This approach can be employed to revise the weak or strong IV signals in other regions or LEs, which is meaningful for reducing the uncertainty of IV signals. [ABSTRACT FROM AUTHOR]

Medullary Carcinoma of the Colon (MCC) is a rare histological subtype of colon cancer, and there is currently no recognized optimal treatment plan for it, with its prognosis remaining unclear. The aim of this study is to analyze the independent prognostic factors for MCC patients and develop and validate nomograms to predict overall survival (OS). A total of 760 patients newly diagnosed with MCC from 2004 to 2020 were selected from the Surveillance, Epidemiology, and End Results (SEER) database. All patients were randomly allocated to a training group and a validation group in a 7:3 ratio. Univariate and multivariable Cox regression analyses were conducted to identify prognostic factors and construct nomograms. The nomogram prediction model was evaluated and validated using receiver operating characteristic (ROC) curves, calibration curves, and decision curve analysis (DCA). The study found that elderly women are more susceptible to MCC, and the ascending colon and cecum are the most common sites of involvement. MCC is poorly differentiated, with stages II and III being the most common. Surgery is the primary treatment for MCC. The prognosis for patients with stage IV MCC is poor, with a median survival time of only 10 months. Independent prognostic factors for MCC include age, N stage, M stage, surgery, chemotherapy, and tumor size. Among them, age < 75 years and completion of chemotherapy were protective factors for colon medullary carcinoma, while N2 (HR = 2.18, 95%CI 1.40–3.38), M1 (HR = 3.31, 95%CI 2.01–5.46), no surgery (HR = 27.94, 95%CI 3.69–211.75), and tumor diameter > 7 cm (HR = 1.66, 95%CI 1.20–2.30) were risk factors for colon medullary carcinoma. The results of ROC, AUC, calibration curves, and DCA demonstrate that the nomogram prediction model exhibits good predictive performance. We have updated the demographic characteristics of colon medullary carcinoma and identified age, N staging, M staging, surgery, chemotherapy and tumor size as independent prognostic factors for colon medullary carcinoma. Additionally, we have established nomograms for prognostic prediction. These nomograms can provide personalized predictions and serve as valuable references for clinical decision-making. [ABSTRACT FROM AUTHOR]

Surface-enhanced Raman scattering (SERS) is a promising technique for sensitive detection. The design and optimization of plasma-enhanced structures for SERS applications is an interesting challenge. In this study, we found that the SERS activity of MXene (Ti3C2Tx) can be improved by adding Au nanoparticles (NPs) in a simple photoreduction process. Fluoride-salt-etched MXene was deposited by drop-casting on a glass slide, and Au NPs were formed by the photocatalytic growth of gold(III) chloride trihydrate solutions under ultraviolet (UV) irradiation. The Au–MXene substrate formed by Au NPs anchored on the Ti3C2Tx sheet produced significant SERS through the synergistic effect of chemical and electromagnetic mechanisms. The structure and size of the Au-decorated MXene depended on the reaction time. When the MXene films were irradiated with a large number of UV photons, the size of the Au NPs increased. Hot spots were formed in the nanoscale gaps between the Au NPs, and the abundant surface functional groups of the MXene effectively adsorbed and interacted with the probe molecules. Simultaneously, as a SERS substrate, the proposed Au–MXene composite exhibited a wider linear range of 10−4–10−9 mol/L for detecting carbendazim. In addition, the enhancement factor of the optimized SERS substrate Au–MXene was 1.39 × 106, and its relative standard deviation was less than 13%. This study provides a new concept for extending experimental strategies to further improve the performance of SERS. [ABSTRACT FROM AUTHOR]

Aqueous Zn‐ion batteries with mild acidic electrolytes are considered the promising energy storage solutions due to their outstanding merits of high energy density and cost‐effectiveness. However, the rampant dendrite growth and severe parasitic reactions caused by a series of factors such as irregular Zn2+ transport pathway and pH variation would result in poor cycling stability. Herein, a self‐regulated interface strategy implemented by ammonium persulfate ((NH4)2S2O8, denoted as APS) multifunctional additive is proposed to simultaneously address the above issues. The zincophilic NH4+ preferentially adsorbs on the Zn protuberance to exclude water molecules and shield the "tip effect," thus inhibiting side‐reactions and inducing uniform Zn deposition. Moreover, NH4+ and S2O82− can dynamically adjust H+ and OH− concentrations in a pH self‐buffer manner, thus effectively mitigating hydrogen evolution reaction and formation of by‐products. Consequently, with the existence of APS additive, Zn anode exhibits ultrahigh coulombic efficiency (CE) of 99.9% over 9000 cycles and ultra‐long lifespan of 4300 h at 5 mA cm−2. Furthermore, even under high NH4V4O10 mass loading (9.4 mg cm−2) and thin zinc foil (10 µm), the assembled NH4V4O10//Zn pouch cell with APS additive can still maintain stably over 210 cycles, demonstrating its excellent value for application. [ABSTRACT FROM AUTHOR]

Cannabis use may be a modifiable risk factor for mental health problems; however, the role of cannabis use frequency in population seeking mental health and addiction services remains unclear. This study aimed to: 1) compare the prevalence and functional impact of psychiatric symptoms among frequent, infrequent, and non-users of cannabis; and 2) evaluate the associations between cannabis use frequency and functional impact of psychiatric symptoms in help-seeking individuals. Data from the Mental Health and Addictions (MHA) Central Intake system in Nova Scotia, Canada was used. Participants aged 19–64 who received MHA Intake assessments from September 2019 to December 2021 with complete information about substance use were included (N = 20,611). Cannabis use frequency over past 30 days was categorized into frequent (>4 times a month), infrequent (≤4 times a month), and non-use. Psychiatric symptomatology consists of five domains: mood, anxiety, psychosis, cognition, and externalizing behaviors. Multivariate ordinal logistic regression was used to examine the associations between cannabis use frequency and functional impact of psychiatric symptoms. Frequent and infrequent cannabis users had a higher prevalence of psychiatric symptoms in each domain than non-users, while no significant differences were found between frequent and infrequent users. Frequent cannabis use was associated with greater functional impact of psychiatric symptoms in each domain compared to non-users, while infrequent use was only associated with greater functional impact of externalizing behaviors. Frequent cannabis use is associated with increased prevalence and functional impact of psychiatric symptoms among adults seeking mental health services. • The association between frequency of cannabis use with different psychiatric symptom domains is not well understood. • Studies of people with mental health needs can provide evidence to regulate harmful cannabis misuse. • Frequent cannabis use was associated with greater functional impact of each psychiatric domain compared to non-users. • Infrequent cannabis use was associated with greater functional impact of externalizing behaviors compared to non-users. [ABSTRACT FROM AUTHOR]

Thermoelectrics is the simplest technology applicable for direct energy conversion between heat and electricity. After over 60 years of fruitful research efforts, recent boom in flexible electronics has promoted the rapid development of flexible thermoelectrics with rising performances, discovery of new materials and concepts, unconventional device configuration, and emerging applications not possible for traditional thermoelectric (TE) semiconductors. In this Perspective, we first overview representative flexible TE materials, then discuss recent breakthroughs for flexible TE devices assembled from various types of TE materials employing different technical routes. They exhibit promising power generation and sensing performances, and aim for applications in wearable electronics, such as the power supply harvesting heat from body for low-power electronics, temperature sensors for tactile e-skin, and newly emerged application as a thermo-haptic device in an extended reality system. [ABSTRACT FROM AUTHOR]

The optoelectronic properties of non-metal (B, N, O, C, F) doped and biaxial tensile strain in the x–y direction of O-doped and N-doped ZrSe2, including energy band structure, density of states, dielectric function, and absorption coefficients, have been calculated by a first-principles approach based on density-functional theory. It is shown that the doped system has a low formation energy, indicating that the structure can exist stably. The B, C, and N atom-doped systems show impurity energy levels near the Fermi energy level, narrowing the bandgap, enhancing the electron transport ability, and increasing the electrical conductivity. Biaxial stretching was applied to the ZrSe2 structure before and after O and N doping, and it was found that the stability of the ZrSe2, Zr9Se 1 7 O 1 , and Zr9Se 1 7 N1 structures was found to decrease gradually with increasing strain. The energy bandwidth of the doped system in the Zr9Se 1 7 O1system at a tensile strain of 4% is a maximum of 0.924 eV; from the density of states, it is found that there is a very obvious orbital hybridization of Se-4p and Zr-d. The doped system has the largest effect on the dielectric function at 6% tensile strain and on the absorption coefficient at 8%. In the Zr9Se 1 7 N1 system, stretching 8% energy bandwidth is a maximum of 0.788 eV, the tensile strain of 8% has the greatest effect on the dielectric function, and a tensile strain of 6% has the most significant effect on the absorption coefficient. [ABSTRACT FROM AUTHOR]

Based on the first principle, the change of photoelectric properties of non-metal-doped CrS2 under biaxial tension was studied. The formation energy indicates that the doping system is stable. Studies have shown that the partial doping system achieves a semiconductor metal phase transition. The strain opens the bandgap of the F-doped system, and the system changes from metal to n-type semiconductor. The Te-doped system realizes the transition from indirect bandgap to direct bandgap under the adjustment of 2% strain. The O and Se doping systems realize the reverse regulation of the bandgap under strain, and the conductivity gradually increases with the increase of strain. The absorption efficiency of Te doping under a certain strain is significantly enhanced, the static dielectric properties of the F doping system are increased by more than two times, the absorption spectrum response range is increased, and the absorption capacity of the system is enhanced. This lays a foundation for applying monolayer CrS2 in microelectronics and optoelectronics. [ABSTRACT FROM AUTHOR]

A new layered metal sulfide, namely (C6H15N3)1.3(NH4)1.5H1.5In3SnS8 (1, C6H15N3 = N-(2-aminoethyl) piperazine), has been solvothermally synthesized and characterized. Compound 1 crystallizes in the monoclinic space group C2/c. Its structure features a two-dimensional layer of {In3SnS8}n3n− with the (4,4) topology net, which is formed by interlinking supertetrahedral T2 clusters as secondary building units. Band structure calculations revealed that 1 had a band gap of 2.7 eV. The photoelectric response of 1 showed steady and reversible on/off cycles with an "on" state of 121.13 nA cm−2. Moreover, the activation of 1 by replacing the sluggish organic cations with harder K+ ions endowed the material with improved adsorption performances for Sr2+ ions from aqueous solutions. [ABSTRACT FROM AUTHOR]

Gold nanoclusters (Au NCs) with bright emission and unique chemical reactivity characters have been widely applied for optical sensing and imaging. With a combination of surface modifications, effective therapeutic treatments of tumors are realized. In this review, we summarize the recently adopted biosensing and therapy events based on Au NCs. Homogeneous and fluorometric biosensing systems toward various targets, including ions, small molecules, reactive oxygen species, biomacromolecules, cancer cells, and bacteria, in vitro and in vivo, are presented by turn-off, turn-on, and ratiometric tactics. The therapy applications are concluded in three aspects: photodynamic therapy, photothermal therapy, and as a drug carrier. The basic mechanisms and performances of these systems are introduced. Finally, this review highlights the challenges and future trend of Au NC-based biosensing and therapy systems. [ABSTRACT FROM AUTHOR]

While previous work on the climatology of Northern China has focused on mean wind speed, wind gusts have received comparatively less attention but are equally important to various users. In this paper, an observed hourly maximum gust wind speeds (HMGS) dataset across North China has been created by using time series from 174 meteorological stations. The dataset offers superior quality, high spatiotemporal near-surface HMGS series for North China spanning from 2015 to 2022. The objective of this study is first to improve our understanding of the spatiotemporal gusts climatology in North China by analyzing the observed gust data. Second, we aim to supplement the observational data by using gust analysis and forecast data with a high spatial–temporal resolution from model simulations. The spatial characteristics of the seasonal cycle of the simulated analysis of mean HMGS and the performance in predicting gusts based on the geographical locations and elevations of the validation stations were investigated by comparing it with the observations. Results indicate the following: 1) Wind direction and intensity are affected by the terrain and climate conditions of different weather stations. Stations situated along the Bohai Bay coastal region and at higher-elevation areas of North China exhibit a higher mean HMGS than those located in the coastal and inland plains. 2) The probability density function curves for wind speed and wind direction exhibit notable variations across different elevation intervals. The contribution of moderate and strong gust wind speeds increases gradually with increasing altitude, while the gust directions in mountainous areas exhibit relatively consistent patterns due to the increased exposure to synoptic-scale forcing at higher elevations. 3) The nowcasting prediction system analysis of mean HMGS provides a higher horizontal resolution that is capable of capturing the contrasts between land and sea, as well as the influence of high HMGS associated with large-scale circulations in high-elevation regions. Significance Statement: The purpose of this study is to better understand the spatiotemporal gust climatology in North China and the performance of the model-simulated gust analysis and forecast data. This is important because gusts conditions differ due to varying topographic and climatic conditions of different weather stations. Our results provide a valuable insight into the climatological variations of HMGS, their drivers, and identify the deficiencies in the model-simulation gusts. [ABSTRACT FROM AUTHOR]

The influences of varying dosages of C-S-H seeding on the properties of cement were assessed through a variety of methodologies. Calorimetry results revealed that the presence of C-S-H seeding notably reduces the induction period and enhances the total heat release during the initial days of cement hydration. All of the systems studied followed similar hydration kinetics, encompassing nucleation and growth (NG), phase boundary reaction (I) and diffusion (D). As the dosage of C-S-H seeding increased, there was a quicker transition from NG to I to D. XRD-Rietveld analysis indicated that seeding markedly improves alite and C3A dissolution in the early stages of hydration, ultimately leading to the expeditious precipitation of portlandite (CH) and ettringite. Nonetheless, at later hydration stages, higher dosage of C-S-H seeding compromises the alite reaction, resulting in a decreased amount of portlandite in the system. The CH obtained by thermogravimetry exhibited a similar trend to XRD-Rietveld, signifying their reliability in measuring portlandite content in the hydrated cement paste. [ABSTRACT FROM AUTHOR]

In this paper, a first-principles study of the stability, electronic structure, and magnetic and optical properties of transition metal (TM)-doped monolayer TiS2 systems has been carried out based on the GGA + U methodology under density functional theory. Formation energies, binding energies, phonon spectra, and molecular dynamics calculations indicate the stability of the systems. The Mn-, Fe-, and Co-doped systems exhibit magnetic narrow-band semiconductor properties, with Mn doping inducing the most sizable net magnetic moments. The V- and Mo-doped systems demonstrate magnetic-metallic properties, and incorporating Nb, Ta, and W gives the monolayer TiS2 system semi-metallic properties. The absorption band edges of the doped systems are all redshifted, in which V and Mo doping produces strong orbital hybridization at the Fermi energy level, generates new dielectric peaks in the low-energy region, and extends the absorption range of infrared light, which significantly enhances the optical response of the system. This study provides a theoretical reference for the application of monolayer TiS2 in nanospin and optoelectronics. [ABSTRACT FROM AUTHOR]

Semicontinuous outcomes commonly arise in a wide variety of fields, such as insurance claims, healthcare expenditures, rainfall amounts, and alcohol consumption. Regression models, including Tobit, Tweedie, and two-part models, are widely employed to understand the relationship between semicontinuous outcomes and covariates. Given the potential detrimental consequences of model misspecification, after fitting a regression model, it is of prime importance to check the adequacy of the model. However, due to the point mass at zero, standard diagnostic tools for regression models (eg, deviance and Pearson residuals) are not informative for semicontinuous data. To bridge this gap, we propose a new type of residuals for semicontinuous outcomes that is applicable to general regression models. Under the correctly specified model, the proposed residuals converge to being uniformly distributed, and when the model is misspecified, they significantly depart from this pattern. In addition to in-sample validation, the proposed methodology can also be employed to evaluate predictive distributions. We demonstrate the effectiveness of the proposed tool using health expenditure data from the US Medical Expenditure Panel Survey. [ABSTRACT FROM AUTHOR]

Polyoxometalate‐based frameworks, as a kind of material constructed by polyoxometalates (POMs), metal ions or clusters, organic ligands, are combined both the advantages of oxygen‐rich POMs and porous metal‐organic frameworks (MOFs) within one single system. This integration greatly expands their potential applications compared to the individual POMs or MOFs. Particularly for photocatalysis, the narrow light absorption range of the typical POMs units in the ultraviolet region hinders their extensive uses as visible‐light‐driven photocatalysts. However, the incorporation of photoactive units into POMs‐based frameworks can be considered as an effective approach to overcome this limitation. In this paper, we review selected examples of recent progress based on the POM‐based frameworks along with their construction strategies and applications in various areas of photocatalysis, mainly including water splitting, CO2 reduction, organic synthesis and also the selective coupling reactions. [ABSTRACT FROM AUTHOR]

In this paper, the effects of transition metal doping on the electronic structure of monolayer NbS2 were studied through the first principles. The electronic structure changes caused by doping transition metal (TM) atoms were recorded, including the energy band, the density of states, binding energy, and optical properties. Studies show that all doping systems are metal. Still, under strain regulation, some doping systems offer an indirect bandgap; NbS2 transforms into a narrow bandgap diluted semiconductor and can improve the activity. Doping atoms lead to n (p) type doping in NbS2. Regarding optical properties, IVB group metals are selected as the typical dopant of three periods. Composite NbS2 has excellent reflector characteristics and can be applied to infrared and ultraviolet regions. The spectral response and electromagnetic wave absorption range of low-energy areas are also improved. This study effectively solves the problem of impurity states introduced by doping and provides a solution for the doping modification of monolayer NbS2, which will lay a foundation for nanoelectronics. [ABSTRACT FROM AUTHOR]

Excellent semiconductors and novel optical properties are the first criteria for nanomaterial technology. In this paper, the S-atom defect is applied to 1T-NbS2 for the first time, and doping atoms are introduced. The concentration of doping atoms is 3.84% and 4% under the two types of defects. Finally, the metallic properties of NbS2 were weakened successfully, and the highest indirect band gap of 0.27 eV was induced, which gradually transformed into a brand-new semiconductor material. In addition, partially composite systems exhibit excellent electromagnetic storage, polarizability, and infrared light absorption, showing high reflectivity in the visible and low-frequency UV regions, which can be used to make blackout lenses and reflective coatings. Cd composite systems can be used as a new type of conducting semiconductor for all kinds of equipment. [ABSTRACT FROM AUTHOR]

Motivation Emerging omics technologies have introduced a two-way grouping structure in multiple testing, as seen in single-cell omics data, where the features can be grouped by either genes or cell types. Traditional multiple testing methods have limited ability to exploit such two-way grouping structure, leading to potential power loss. Results We propose a new 2D Group Benjamini–Hochberg (2dGBH) procedure to harness the two-way grouping structure in omics data, extending the traditional one-way adaptive GBH procedure. Using both simulated and real datasets, we show that 2dGBH effectively controls the false discovery rate across biologically relevant settings, and it is more powerful than the BH or q -value procedure and more robust than the one-way adaptive GBH procedure. Availability and implementation 2dGBH is available as an R package at: https://github.com/chloelulu/tdGBH. The analysis code and data are available at: https://github.com/chloelulu/tdGBH-paper. [ABSTRACT FROM AUTHOR]

The experiment aimed to assess the uncertainty of the determination of diazepam content in fishing baits by liquid chromatography-tandem mass spectrometry. By establishing a mathematical model and analyzing uncertainties from different sources, the experiment evaluated various uncertainty components. The results showed that the relative standard uncertainty of the measurement results was 4.55%, and the relative expanded uncertainty was 9.10%. The diazepam content in the sample should be expressed as (2.3.821±2.168) µg/kg (K=2). The study indicates that the measurement uncertainty of diazepam content in fishing baits is mainly attributed to the repeated measurements of the sample, the preparation of standard solution, and the weighing of the sample. [ABSTRACT FROM AUTHOR]

Developing novel catalysts with excellent photocatalytic hydrogen evolution activity is crucial for expediting current research on solar-chemical energy conversion. In the present study, unique Sn3O4/CdS composites were carefully designed and prepared using a facile hydrothermal method to achieve outstanding photocatalytic H2 production activity. Various techniques were employed to determine the crystalline structure, chemical composition, microstructure, and optical and electrochemical characteristics of the prepared samples. The experimental results indicate that zero-dimensional (0D) CdS quantum dots were tightly attached to the surface of three-dimensional (3D) Sn3O4 nanoflowers. Furthermore, enhanced light-absorbing capacity and accelerated electron–hole separation and transfer were achieved after incorporating CdS quantum dots into Sn3O4 nanoflowers. The generation rate of hydrogen using the optimal sample (Sn3O4/CdS QDs-2) was about 20.74 μmol g−1 h−1, which was 2.86 and 3.16 times those of pure Sn3O4 and CdS, respectively. In addition, the possible photocatalytic H2 production mechanism of Sn3O4/CdS nanocomposites was also revealed. This work is highly desirable to provide valuable inspiration for rational design and preparation of efficient photocatalysts for H2 evolution. [ABSTRACT FROM AUTHOR]

AbstractThe assessment of regression models with discrete outcomes is challenging and has many fundamental issues. With discrete outcomes, standard regression model assessment tools such as Pearson and deviance residuals do not follow the conventional reference distribution (normal) under the true model, calling into question the legitimacy of model assessment based on these tools. To fill this gap, we construct a new type of residuals for regression models with general discrete outcomes, including ordinal and count outcomes. The proposed residuals are based on two layers of probability integral transformation. When at least one continuous covariate is available, the proposed residuals closely follow a uniform distribution (or a normal distribution after transformation) under the correctly specified model. One can construct visualizations such as QQ plots to check the overall fit of a model straightforwardly, and the shape of QQ plots can further help identify possible causes of misspecification such as overdispersion. We provide theoretical justification for the proposed residuals by establishing their asymptotic properties. Moreover, in order to assess the mean structure and identify potential covariates, we develop an ordered curve as a supplementary tool, which is based on the comparison between the partial sum of outcomes and of fitted means. Through simulation, we demonstrate empirically that the proposed tools outperform commonly used residuals for various model assessment tasks. We also illustrate the workflow of model assessment using the proposed tools in data analysis. Supplementary materials for this article are available online. [ABSTRACT FROM AUTHOR]

This paper focuses on addressing the "last 100 metres" home delivery in rural areas, using a cooperated delivery method of drones and truck. Considering the constraints of drone load, drone energy consumption and customer time window, a mixed integer linear programming model is established to minimize the delivery cost. Owing to the computational complexity of this problem, a double ant colony optimization with neighbourhood search is proposed. First, the raw data are sorted and encoded. Second, the ant colony optimization with search operators is used to solve drone routes and truck route. Finally, the local search algorithm with search operators is used to solve the connection point between the drones and truck to obtain the cooperated delivery routes. Extensive experiments are conducted on the instances randomly generated in the Solomon dataset, and results demonstrate the proposed algorithm effectively solves problems within reasonable runtimes. Sensitivity analysis is conducted on factors that may affect the delivery cost of the solution and provide insights about drones participating in the "last hundred metres" home delivery service. [ABSTRACT FROM AUTHOR]

Objective: Relationship between surface antigen differentiation cluster 274 (CD274) gene polymorphism and systemic lupus erythematosus (SLE) risk is limited. This study aims to discuss whether in a Chinese Han population, CD274 gene polymorphisms may relate to SLE susceptibility. Methods: Three hundred and ten SLE patients and 390 healthy controls were included in this case–control study. Using the Kompetitive Allele‐Specific PCR (KASP) approach, five single nucleotide polymorphisms (SNPs), including rs2890658, rs4143815, rs822339, rs2282055, and rs2297137, were genotyped for CD274 gene polymorphisms. Correlation between the polymorphisms and clinical, laboratory features in SLE patients were discussed. Results: Frequency of C allele was substantially lower in SLE patients than in healthy controls (p =.015), and CC genotype was significantly negatively related to developing SLE at locus rs4143815 (p =.013). At locus rs822339, frequency of GA genotype was higher than that of the healthy controls (p =.006). At locus rs2282055, frequency of GG genotype was lower than that of healthy controls (p =.024). According to subgroup analysis, the CD274 gene polymorphisms rs2890658, rs4143815, rs822339, rs2282055, and rs2297137 were partly linked to some clinical symptoms of SLE patients, such as Complement 4 (C4), C‐reactive protein (CRP), and erythrocyte sedimentation rate (ESR). Conclusion: CD274 gene polymorphisms may be susceptible to SLE in the Chinese Han people. [ABSTRACT FROM AUTHOR]

In order to improve the photoelectric conversion efficiency of tunnel oxide passivated contact (TOPCon) solar cells, the selective emitter structure was prepared by boron diffusion and laser doping. The effects of sheet resistance of boron diffusion, power output ratio of laser and oxidation time on the passivation of the emitter were studied. The experimental results show that when the sheet resistance is 140 Ω/❏, the oxidation temperature is 1 020 °C, and the oxidation time is 30 min, the sheet resistance of light doping region (p+) reaches 320 Ω/❏, the corresponding implied open circuit voltage reaches 729 mV, and the dark saturation current density is 12 fA/ cm². The sheet resistance of heavily doping region (p++) reaches 113 Ω/❏, the corresponding implied open circuit voltage reaches 710 mV, and the dark saturation current density is 26 fA/ cm². Based on the selective emitter process, the highest conversion efficiency of 24. 75% was obtained with an open circuit voltage of 720 mV, and a short-circuit current improvement of 30 mA, leading to an absolute efficiency gain of 0. 26 percent point for the champion conversion efficiency. [ABSTRACT FROM AUTHOR]

To study the impact of the digital economy on industrial structure upgrading, this paper constructs the dynamic spatial Durbin model, dynamic spatial intermediary model, and spatial threshold model based on the panel data of 155 prefecturelevel cities in China from 2011 to 2021. It is found that: (a) the improvement of the digital economy in the region can directly promote the upgrading of local industrial structure, but there is a significant "siphon effect," which makes the spatial spillover effect negative and significant. (b) The digital transformation of enterprises plays a mediating role in the path of digital economy-driven industrial structure upgrading, with a short-term mediating effect size of about 17.18%. (c) The digital economy has a threshold effect on the path of enterprise digital transformation for industrial structure upgrading. These findings provide suggestions for policy. [ABSTRACT FROM AUTHOR]

Despite numerous studies on auditory event-related potentials (ERPs) in insomnia disorder (ID), the results are inconsistent across different ERP components (e.g. N1, P2, P3, and N350), types of auditory stimuli (e.g. standard and deviant), and stages of sleep (e.g. wakefulness, NREM sleep, and REM sleep). In light of this variability, we conducted a systematic meta-analysis of previous auditory ERP studies in ID to provide a quantitative review of the existing literature. Relevant literatures were searched on the Embase, PubMed/MEDLINE, PsycINFO and Cochrane Library. A total of 12 studies comprising 497 participants were finally included in this meta-analysis. The study protocol was registered with PROSPERO under the registration number CRD42022308348. We found that patients with ID have significantly decreased N1 (Hedges' g = 0.34, 95%CI [0.04, 0.65]) and P3 (Hedges'g = −1.21, 95%CI [−2.37, −0.06]) amplitudes during wakefulness. In addition, decreases in P2 (Hedges'g = −0.57, 95%CI [−0.96, −0.17]) amplitude during wakefulness and N350 (Hedges' g = 0.73, 95%CI [0.36, 1.09]) amplitude during NREM. This meta-analysis represents the first systematic investigation of ERP features across different stages of sleep in individuals with ID. Our results suggest that in patients with insomnia, the absence or deficiency of arousal inhibition during the nighttime sleep initiation or maintenance process may interfere with the normal process of sleep. [ABSTRACT FROM AUTHOR]

We evaluated cellular immune responses induced by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) vaccines in an immunized population based on HLA-E-restricted CD8+ T cell epitope identification. HLA-E-restricted SARS-CoV-2 CD8+ T cell nonamer peptides were predicted with software. An HLA-E-transfected K562 cell binding assay was used to screen for high-affinity peptides. IFN-γ enzyme-linked immunospot assays were used to identify HLA-E-restricted epitopes. An HLA-E/epitope tetramer was employed to detect the frequencies of epitope-specific CD8+ T cells. Four CD8+ T cell epitopes on the spike protein of SARS-CoV-2 restricted by both HLA-E*0101 and E*0103 were identified. HLA-E-restricted epitope-specific IFN-γ-secreting CD8+ T cell responses could be detected in individuals vaccinated with SARS-CoV-2 vaccines. Importantly, the frequencies of epitope-specific CD8+ T cells in Ad5-nCoV vaccinated individuals were higher than in individuals vaccinated with recombinant protein or inactivated vaccines. Moreover, the frequencies of epitope-specific CD8+ T cells could be maintained for at least 120 days after only one dose of Ad5-nCoV vaccine, while the frequencies of epitope-specific CD8+ T cells decreased in individuals after two doses of Ad5-nCoV vaccine. These findings may contribute to a more comprehensive evaluation of the protective effects of vaccines for SARS-CoV-2; meanwhile, they may provide information to characterize HLA-E-restricted CD8+ T cell immunity against SARS-CoV-2 infection. [ABSTRACT FROM AUTHOR]

Context: Two-dimensional semiconductor materials have received much attention in recent years due to their wide variety of applications in the field of nano-optoelectronic devices. In this project, we applied stresses ranging from −6 to +6% to the ZrSe2/HfSe2 heterostructure and systematically investigated its electrical and optical properties. It is discovered that stress can effectively modulate the forbidden bandwidth of the ZrSe2/HfSe2 heterojunction; whereas, under compressive stress, the forbidden bandwidth of the material decreases further until the bandgap is zero, leading to the material's transformation from semiconductor to metal. The forbidden band gap of the ZrSe2/HfSe2 heterojunction increases with increasing horizontal biaxial tensile strain. We discovered that the light absorption performance of this heterostructure is significantly better than that of its similar monomolecular layer and that its light absorption intensity can reach an order of magnitude of 104. Under compressive and tensile stresses, the ZrSe2/HfSe2 heterojunctions exhibit different degrees of red or blue shift. The results indicate that constructing ZrSe2/HfSe2 heterojunctions and applying horizontal biaxial stresses to them can significantly modulate the optoelectronic properties of the materials. ZrSe2/HfSe2 heterojunction is a new type of high-performance photogenerated carrier transport device with a wide range of applications. Methods: The calculations in this study are carried out the first principles approach of density functional theory, as implemented in the CASTEP module of Materials-Studio2019. The researchers used an ultrasoft reaction potential to calculate the interactions between the ion core and the electrons and applied the Perdew-Burke-Ernzerhof (PBE) and the generalized gradient approximation (GGA) to perform the calculations. The Monkhorst-Pack technique was employed to create the k-point samples utilized for integration on the Brillouin zone, and the k-point grid was uniformly 6 × 6 × 1. In addition, in order to avoid interactions between the atomic layers affecting the properties and stability of the material, such interactions were prevented by adding a 30 Å vacuum layer. Using a plane-wave energy cutoff of 500 eV and the convergence accuracy of the iterative process was set to 1 × 10−5 eV to ensure the accuracy of the computational results, and in addition. The maximum stress in the lattice was limited to less than 0.05 GPa or the interaction force between neighboring atoms was lower than 0.03 eV/Å. For the calculation of the properties of the optical properties, a k-point grid of 18 × 18 × 1 is used for optimization, and the polarization direction of the material is not taken into account, considering that the material is isotropic. This study proposes to apply the Tkatchenko-Scheffler (TS) dispersion correction method in DFT-D to appropriately represent the interlayer van der Waals interaction forces to solve inaccuracies in the computation of van der Waals interactions via density functional theory. [ABSTRACT FROM AUTHOR]

Hydrolysis hydrogen generation from Mg-based alloys is considered as a potential energy carrier for global low-carbon and growing energy challenges. At present, it is a key problem to explore an efficient modification method for Mg-based alloys to obtain rapid initial hydrolysis kinetics and high H 2 yield in short time. In this work, carbon-based isomeric catalysts were creatively employed to activate Mg10Ni10Ce alloy. Based on the rapid initial hydrolysis kinetics, the effects of carbon nanostructured catalysts on the hydrogen production of Mg10Ni10Ce were studied. Herein, the catalytically modified Mg10Ni10Ce samples with point-like carbon black (SP), one-dimensional tubular carbon nanotubes (CNTs) and two-dimensional layered graphite (GP) are simply prepared by short-time high-energy ball milling process. Due to the significant structural characteristics, the catalytically modified Mg10Ni10Ce samples have higher H 2 yields at the initial hydrolysis stage, Mg10Ni10Ce-SP, Mg10Ni10Ce-CNTs and Mg10Ni10Ce-GP samples are 17.3%, 25.2% and 36.2% at 313 K for 30 s, which are higher than that of Mg10Ni10Ce (10.4%). The above work provides an effective strategy for hydrogen production by modifying Mg-based alloys with nanostructured catalysts, and lays a foundation for the application of portable hydrogen production devices. • Carbon-based isomerism catalysts are introduced into the Mg10Ni10Ce alloy. • The catalyzed alloy surface is destroyed and transmission channels are generated. • Mg10Ni10Ce-GP generates 36.2% H 2 yield for 30 s at 313 K in initial stage. • Suitable nucleation rate and growth of Mg(OH) 2 are prerequisite for high H 2 yield. [ABSTRACT FROM AUTHOR]

Brassinosteroid (BR) is a vital plant hormone that regulates plant growth and development. BRASSINAZOLE RESISTANT 1 (BZR1) is a key transcription factor in BR signaling, and its nucleocytoplasmic localization is crucial for BR signaling. However, the mechanisms that regulate BZR1 nucleocytoplasmic distribution and thus the homeostasis of BR signaling remain largely unclear. The vacuole is the largest organelle in mature plant cells and plays a key role in maintenance of cellular pH, storage of intracellular substances, and transport of ions. In this study, we uncovered a novel mechanism of BR signaling homeostasis regulated by the vacuolar H+-ATPase (V-ATPase) and BZR1 feedback loop. Our results revealed that the vha-a2 vha-a3 mutant (vha2 , lacking V-ATPase activity) exhibits enhanced BR signaling with increased total amount of BZR1, nuclear-localized BZR1, and the ratio of BZR1/phosphorylated BZR1 in the nucleus. Further biochemical assays revealed that VHA-a2 and VHA-a3 of V-ATPase interact with the BZR1 protein through a domain that is conserved across multiple species. VHA-a2 and VHA-a3 negatively regulate BR signaling by interacting with BZR1 and promoting its retention in the tonoplast. Interestingly, a series of molecular analyses demonstrated that nuclear-localized BZR1 could bind directly to specific motifs in the promoters of VHA-a2 and VHA-a3 to promote their expression. Taken together, these results suggest that V-ATPase and BZR1 may form a feedback regulatory loop to maintain the homeostasis of BR signaling in Arabidopsis , providing new insights into vacuole-mediated regulation of hormone signaling. The mechanisms that regulate BZR1 nucleocytoplasmic distribution and thus the homeostasis of brassinosteroid (BR) signaling remain largely unclear. This study finds that two subunits of V-ATPase, VHA-a2 and VHA-a3, interact with BZR1 in the tonoplast through a conserved domain, reducing total and nuclear-localized BZR1 and the nuclear BZR1/phosphorylated BZR1 ratio. Furthermore, it is found that nuclear-localized BZR1 promotes the expression of VHA-a2 and VHA-a3 by directly bind to their promoters, suggesting that V-ATPase and BZR1 may form a feedback regulatory loop to maintain the homeostasis of BR signaling in Arabidopsis. [ABSTRACT FROM AUTHOR]

This study aimed to investigate the neural mechanisms underlying working memory impairment in patients with chronic insomnia disorder (CID) using event-related potentials (ERP) and resting-state functional connectivity (rsFC) approaches. Participants, including CID patients and healthy controls (HCs), completed clinical scales and underwent electroencephalography (EEG) and functional magnetic resonance imaging (fMRI). EEG analysis compared reaction times, P3 amplitudes, event-related spectral perturbations (ERSP), and inter-trial phase synchronisation (ITPS) between CID patients and HCs. Subsequently, frontal regions (i.e., the Superior Frontal Gyrus [SFG] and Middle Frontal Gyrus [MFG]) corresponding to the EEG were selected as seeds for rsFC analysis. Correlation analyses were conducted to further investigate the relationship between functional connectivity abnormalities in brain regions and clinical symptom severity and P3 amplitude in CID patients. Compared to HCs, CID patients exhibited slower reaction times across all working memory conditions, with the deficits becoming more pronounced as memory load increased. ERP analysis revealed increased P3 amplitude, theta wave power, and reduced inter-trial synchrony in CID patients. rsFC analysis showed decreased connectivity of SFG-posterior cingulated cortex (PCC), SFG-MFG, and MFG-frontal pole (FP), and increased connectivity of MFG- Middle Temporal Gyrus (MTG)in CID patients. Importantly, a significant correlation was found between the rsFC of SFG-MTG and P3 amplitude during 1-back. This study confirms deficits in working memory capacity in patients with CID, specifically in the neural mechanisms of cognitive processing that vary depending on the level of cognitive load. Alterations in connectivity patterns within and between the frontal and temporal regions may be the neural basis of the cognitive impairment. • Patients with CID exhibited working memory deficits and altered cognitive load management. • Alterations in connectivity patterns within and between the frontal and temporal regions may underlie working memory deficits. • The integration of ERP and fMRI explored the potential mechanisms of working memory deficitsfrom a multimodal perspective. [ABSTRACT FROM AUTHOR]

Calcium sulfate (CaSO4), an essential retarder in cement, retards the hydration of tricalcium aluminate (C3A) and tetracalcium aluminoferrite (C4AF) phases. However, its retarding mechanism remains unclear. This paper focused on the adsorption of CaSO4f on C4AF and C3A surfaces based on isothermal calorimetry, the measurement of the ionic concentrations in a diluted system, and density functional theory to enhance the understanding of the retardation mechanism. The results showed that the retarding effect of CaSO4 on C4AF was stronger than that on C3A due to the slower CaSO4 consumption rate, lower driving force for CaSO4 adsorption, and surface coverage of Fe(OH)3 gel. The adsorption of CaSO4 hindered Ca dissolution more markedly on C4AF than C3A, which was pronounced on Fe‐free C4AF surfaces. The adsorption of CaSO4 weakened the affinity of water on C4AF and C3A surfaces, lowering the driving force for H2O adsorption. The adsorption of H2O and CaSO4 promoted the dissolution of Al on the [AlO6] octahedral surface of C4AF, which may be responsible for the maintenance of a higher Al concentration in the solution. Based on the above results, the adsorption of CaSO4 on initial C4AF and C3A hydration was explained. [ABSTRACT FROM AUTHOR]

Purpose: The purpose of this study was to systematically review the research literature with regards to treatments and intervention methods for hereditary hearing loss. Our goal was to provide reference guidelines for the rational use of medication and gene-targeted therapy for patients with hereditary hearing loss and discuss the future development of research in this area. Method: We searched two core databases, PubMed and Web of Science, for relevant literature relating to potential treatments and interventional methods for hereditary hearing loss. Then, we used Microsoft Excel to perform basic statistical analysis of the data, the R language to perform bibliometric analyses, and VOSviewer and CiteSpace to visualize data. In addition, we clustered and descriptively analyzed the data and identified the relative importance of each approach with regard to precise patient outcomes. Results: In this study, we followed the Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) standardized screening process and identified a total of 103 research articles. The average annual growth rate of publications in this area was 12.73%. The country with the highest number of publications and citations was the United States; 80 of these publications (associated with 76.92% of funding) were supported by grants from 16 countries. Potential treatments and interventions were clustered according to the stage of research and showed that 8.74% remain in the research design stage, 59.22% are in the clinical validation stage, and 32.04% are being applied in the clinic. The main research focus in this field is cochlear implants and gene therapy. Conclusions: Hereditary hearing loss is in a critical period of transition from preventive to therapeutic research. Gene-targeted interventions represent one of the most promising and effective treatments. Supplemental Material: https://doi.org/10.23641/asha.24309193 [ABSTRACT FROM AUTHOR]

Context: Based on the first principles under the framework of density functional theory, it calculates the effect of vacancy defects in single Zr and single Se atoms and the replacement of Se atoms in ZrSe2 with O, Se, and Te atoms on the optoelectronic properties of monolayer ZrSe2, including geometry, energy band structure, electronic density of states, and optical properties. The doping of the three non-metallic atoms was n-type doping for the O and S atoms and p-type doping for the Te atom. Defects in the Zr atoms and O-atom doping significantly affect the peak reflectance and absorption coefficient of the ZrSe2 system. Methods: All Density Functional Theory calculations were carried out using the CASTEP module in the Materials-Studio (MS) software. The generalized gradient approximation plane-wave pseudopotential method and the Perdew-Burke-Ernzerfhof (PBE) generalized function were used for structural optimization and total energy calculation of the defect and doping systems. After convergence tests, the plane wave truncation energy was set to 500 eV, and the Brillouin zone K-point grid was set to 4 × 4 × 1. The atomic energy convergence criterion is 1.0 × 10−6 eV/atom, the interatomic interaction force convergence criterion is 0.02 eV/Å, the maximum atomic displacement convergence criterion is 0.001 Å, and the internal crystal stress convergence criterion is 0.05 GPa. In order to avoid the influence of the interaction forces between the layers, a vacuum layer of 15 Å is placed in the Z-axis direction. [ABSTRACT FROM AUTHOR]

Highlights: Classification and catalytic mechanism of nanozymes with different mimicking activities are dissertated. Activity prediction and rational design methods of nanozymes are highlighted, including density functional theory, machine learning, biomimetic and chemical design. The roles of nanozymes in different synergistic theranostic strategies for tumor are summarized and explained by representative examples in the past five years. Since the discovery of enzyme-like activity of Fe3O4 nanoparticles in 2007, nanozymes are becoming the promising substitutes for natural enzymes due to their advantages of high catalytic activity, low cost, mild reaction conditions, good stability, and suitable for large-scale production. Recently, with the cross fusion of nanomedicine and nanocatalysis, nanozyme-based theranostic strategies attract great attention, since the enzymatic reactions can be triggered in the tumor microenvironment to achieve good curative effect with substrate specificity and low side effects. Thus, various nanozymes have been developed and used for tumor therapy. In this review, more than 270 research articles are discussed systematically to present progress in the past five years. First, the discovery and development of nanozymes are summarized. Second, classification and catalytic mechanism of nanozymes are discussed. Third, activity prediction and rational design of nanozymes are focused by highlighting the methods of density functional theory, machine learning, biomimetic and chemical design. Then, synergistic theranostic strategy of nanozymes are introduced. Finally, current challenges and future prospects of nanozymes used for tumor theranostic are outlined, including selectivity, biosafety, repeatability and stability, in-depth catalytic mechanism, predicting and evaluating activities. [ABSTRACT FROM AUTHOR]

An extended (3+1)-dimensional Kadomtsev–Petviashvili–Boussinesq equation is studied in this paper to construct periodic solution, n-soliton solution and folded localized excitation. Firstly, with the help of the Hirota's bilinear method and ansatz, some periodic solutions have been derived. Secondly, taking Burgers equation as an auxiliary function, we have obtained n-soliton solution and n-shock wave. Lastly, we present a new variable separation method for (3+1)-dimensional and higher dimensional models, and use it to derive localized excitation solutions. To be specific, we have constructed various novel structures and discussed the interaction dynamics of folded solitary waves. Compared with the other methods, the variable separation solutions obtained in this paper not only directly give the analytical form of the solution u instead of its potential u y , but also provide us a straightforward approach to construct localized excitation for higher order dimensional nonlinear partial differential equation. [ABSTRACT FROM AUTHOR]

Based on the first principles, the crystal structure, photoelectric properties, and structural stability of two transition metal dichalcogenides (TMDCs) under different strain treatments are systematically calculated. The properties of NbX2 under tensile and compressive strains are discussed for the first time. Recently, a single-layer 1T structure with X atoms surrounding the transition metal atoms was synthesized in experiments. The 1T multi-forms were octahedral coordination structures, and some of the systems showed excellent semiconductor properties and stability. The results show that NbS2 has an indirect band gap under different strains and tends to transition to semiconductors which can effectively improve the material activity. NbSe2 has more excellent properties in the optical field and can be used to manufacture infrared lenses, anti-reflection coatings, and UV reflectors. This study provides a new understanding of the unconventional structure of NbX2 and provides theoretical guidance for the work in the field of TMDCs. [ABSTRACT FROM AUTHOR]

To better understand why Chinese residents' COVID-19 perceptions of the importance of vaccination change dramatically over time, this research used an online lab-like experiment to test the antecedents of individuals' perception of the importance of COVID-19 vaccines. We find that participants who view themselves as separate from others (i.e. independent self-construal) perceive COVID-19 vaccines as more important than Hepatitis B vaccines (i.e. control group), regardless of how salient mortality is for them. In contrast, among participants who view themselves as a part of their social groups (i.e. interdependent self-construal), awareness of death (i.e. mortality salience) plays a moderating role. Specifically, when mortality is salient, COVID-19 vaccines are considered more important than Hepatitis B vaccines; when morality is not salient, vaccine type does not make a difference on perceptions of vaccine importance. [ABSTRACT FROM AUTHOR]

Aim: According to reports, long non‐coding RNAs (lncRNAs) are involved in the regulation of many inflammatory diseases. Here, our main purpose was to ascertain the expression data of lncRNA SNHG14 in acute gouty arthritis (AGA) and to explore its possible mechanism in the regulation of AGA. Method: Reverse transcription quantitative polymerase chain reaction technology was supplied to detect the lncRNA SNHG14 expression. A receiver operating characteristics curve was drawn to estimate the accuracy of lncRNA SNHG14 in AGA diagnosis. An in vitro AGA cell model was constructed by inducing THP‐1 cells with monosodium urate (MSU). The concentrations of inflammatory factors such as interleukin‐1β, interleukin‐6, and tumor necrosis factor‐α were measured by enzyme‐linked immunosorbent assay. The luciferase reporter gene was used to verify the relationship between lncRNA SNHG14 and miR‐223‐3p. Results: In clinical analysis, the levels of serum lncRNA SNHG14 in AGA patients were significantly higher than those in the control group. Abnormally elevated lncRNA SNHG14 has high sensitivity and specificity for AGA diagnosis. In in vitro cell experiments, silencing lncRNA SNHG14 inhibited the inflammatory response of THP‐1 cells stimulated by MSU, and the luciferase reporter gene proved that lncRNA SNHG14 could bind to miR‐223‐3p. In addition, the level of miR‐223‐3p declined in AGA patients and the AGA cell model. Overexpression of miR‐223‐3p is helpful to alleviate an MSU‐induced inflammatory response. Conclusion: In the AGA cell model, lncRNA SNHG14, as an miR‐223‐3p sponge, induces a cellular inflammatory response by controlling the level of miR‐223‐3p, so aggravating the disease progress of AGA. [ABSTRACT FROM AUTHOR]

Enantiomerically enriched five‐ and six‐membered benzo oxygen heterocycles are privileged architectures in functional organic molecules. Over the last several years, many effective methods have been established to access these compounds. However, comprehensive documents cover updated methodologies still in highly demand. In this review, recent transition metal catalyzed transformations lead to chiral five‐ and six‐membered benzo oxygen heterocycles are presented. The mechanism and chirality transfer or control processes are also discussed in details. [ABSTRACT FROM AUTHOR]

It is well known that the microbiome data are ridden with outliers and have heavy distribution tails, but the impact of outliers and heavy-tailedness has yet to be examined systematically. This paper investigates the impact of outliers and heavy-tailedness on differential abundance analysis (DAA) using the linear models for the differential abundance analysis (LinDA) method and proposes effective strategies to mitigate their influence. The presence of outliers and heavy-tailedness can significantly decrease the power of LinDA. We investigate various techniques to address outliers and heavy-tailedness, including generalizing LinDA into a more flexible framework that allows for the use of robust regression and winsorizing the data before applying LinDA. Our extensive numerical experiments and real-data analyses demonstrate that robust Huber regression has overall the best performance in addressing outliers and heavy-tailedness. [ABSTRACT FROM AUTHOR]

Context: Monolayer NbS2 is a promising new two-dimensional material, and it is critical to develop effective methods to make NbS2 a material for nanodevices and photovoltaic applications. This study studied the strain rule of sulfur-deficient NbS2 structure by first principles. The results show that all defect structures introduce impurity states to enhance electron transport. The disulfide defect structure produces an indirect band gap under the action of tensile strain, which can reach up to 0.56eV and become a diluted semiconductor. The hybrid NbS2 exhibits high transparency under infrared, visible, and low-frequency ultraviolet light, improving the material's transmittance, optical response, and catalytic activity. The research results of this paper will provide a basis for the subsequent research of single-layer NbS2 and accelerate the research process of NbS2 as a new semiconductor material. Methods: We are on the surface perpendicular to the 3×3×1 NbS2 and use a 15 Å vacuum layer to avoid interacting with periodic images. The first-principles simulation uses the CASTEP module in Materials Studio to simulate the hypothetical model and relaxation optimization structure of single-layer NbS2 under strain and defect state. The calculation function is PBE (Perdew-Burke-Ernzerhof) function under the generalized gradient approximation (GGA) for an approximate calculation to describe the interaction between electrons and the interaction between electrons and ions. The pseudopotentials of 3s23p4 and 4d45s1 valence electron configurations were used for S and Nb atoms, respectively. Van der Waals correction is considered in the simulation process. Moreover, it includes spin-orbit coupling (SOC) effects. For the plane wave truncation energy, we set it at 500eV. The arrangement of the Brillouin area is divided by 6×6×1 gamma-centered Monkhorst-Pack grids. The lattice deformation of all hybrid structures is less than 0.05 Gpa, and the interatomic force is less than 0.03 eV/Å. [ABSTRACT FROM AUTHOR]

As a result of chloride ion erosion, corrosion of steel bars in coastal or deicing salt environments deteriorates reinforced concrete’s (RC) structural performance. At present, there were few studies involving both chloride ion erosion and shear walls with flange, which made it difficult to evaluate the performance of corroded shear wall structures in coastal environments. Consequently, seven high-rise RC shear walls with flange were tested by electrochemical chloride erosion (ECE) and low cyclic loading in this paper, and the influences of key parameters such as corrosion degree, axial compression ratio and reinforcement ratio of longitudinal reinforcement on the hysteretic characteristics of corroded shear walls with flange were investigated. This article assesses the seismic behavior of specimens by analyzing corrosion morphology and damage processes of concrete and rebars. In addition, scrutiny is placed on failure modes, bearing capability, deformability, and energy-dissipating capacity. Subsequently, according to the failure characteristics and test data, a numerical modeling analysis method based on fiber elements was proposed and validated to obtain the seismic response prediction of corroded shear walls with flange. Finally, based on the built numerical model, the effects of other parameters on the seismic property of corroded shear walls with flange were discussed. [ABSTRACT FROM AUTHOR]

Finger vein recognition is a promising biometric technology that has received significant research attention. However, most of the existing works often relied on a single feature, which failed to fully exploit the discriminative information in finger vein images, and therefore led to a limited recognition performance. To overcome this limitation, this paper proposes an encoding coefficient similarity-based multifeature sparse representation method for finger vein recognition. The proposed method not only uses multiple features to extract comprehensive information from finger vein images, but also obtains more discriminative information through constraints in the objective function. The sparsity constraint retains the key information of each feature, and the similarity constraint explores the shared information among the features. Furthermore, the proposed method is capable of fusing all kinds of features, not limited to specific ones. The optimization problem of the proposed method is efficiently solved using the alternating direction multiplier method algorithm. Experimental results on two public finger vein databases HKPU-FV and SDU-FV show that the proposed method achieves good recognition performance. [ABSTRACT FROM AUTHOR]