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A precise analytical potential energy surface (PES) of HCO(X2A′) is fitted from a great quantity of ab initio energy points computed with the multi-reference configuration interaction method and aug-cc-pV(Q/5)Z basis sets. The whole energy points extrapolated to the complete basis set limit are fitted by the many-body expansion formula. The calculated topographic characteristics are analyzed and compared with the existing work to prove the precision of the present HCO(X2A′) PES. By utilizing the time-dependent wave packet and quasi-classical trajectory methods, the reaction probabilities, integral cross sections, and rate constants are computed. The results are compared in detail with the former results carried out on the other PES. Moreover, the provided information on stereodynamics leads to an in-depth understanding of the role of collision energy in product distribution. [ABSTRACT FROM AUTHOR]

When measuring the thickness of ultrathin overlayer films using X‐ray photoelectron spectroscopy (XPS), accurate values of the reference intensity ratio (R0) and the effective attenuation length (L) are essential. By definition, R0 is the peak intensity ratio for an overlayer and the substrate in "bulk" phases. Two issues need to be addressed in experimental determining R0 for ultrathin films: (i) How might a contamination layer on the sample used for measuring peak intensities impact R0? And (ii) do differences in the structure or chemistry of an ultrathin film make it inappropriate to determine R0 using bulk forms of the overlayer? In this study, we demonstrate the experimental determination of the R0 for an ultrathin HfO2 film on a Si(100) substrate with a 2 nm SiO2 layer. The values of R0 were determined using (i) the bulk materials of the HfO2 film and substrate and (ii) the ultrathin HfO2 films after different cleaning treatments. The results show that the R0 determined by the ultrathin films is higher than that determined by the bulk materials. Also, keeping the same level of carbonaceous contamination on the sample surface by cleaning as much as possible is essential for an accurate experimental determination of R0. In addition, the effective attenuation length was obtained using samples with known thicknesses measured by X‐ray reflectometry. The thicknesses and uncertainty budget of the ultrathin HfO2 films were then evaluated. [ABSTRACT FROM AUTHOR]

This paper illustrates two species in the lichen-forming family Arthoniaceae from southern China, including a new species of Herpothallon, H. fibrosum L.L. Liu & Lu L. Zhang and a new record of Cryptothecia, C. striata G. Thor for China. Herpothallon fibrosum has fluffy, cylindrical pseudoisidia, like a bundle of fiber, and psoromic acid and confluentic acid are present. Furthermore, the new record of Cryptothecia striata has been identified by morphological, anatomical, chemical, and molecular studies. The systematic position of the two species was clarified by the molecular sequence data from the small subunit of the mitochondrial ribosomal DNA (mtSSU). Detailed taxonomic descriptions, chemical characters, comparisons, and discussion of the characteristics of similar species are provided for the two species; the relationship between Cryptothecia and Herpothallon is also discussed here. [ABSTRACT FROM AUTHOR]

[Display omitted] In the process of photocatalytic ammonia synthesis, efficient activation of nitrogen molecules constitutes a fundamental challenge. During the N 2 activation, the close interdependence between the acceptance and donation of electron results in their mutual limitation, leading to high energy barrier for N 2 activation and unsatisfactory photocatalytic performance. This work decoupled the electron acceptance and donation processes by constructing Fe-Bi dual active sites, resulting in enhancing N 2 activation through the high electron trapping ability of Fe3+ and strong electron donating ability of Bi2+. The photocatalytic nitrogen reduction efficiency of 3%Fe/Bi 2 O 2.33 (118.71 μmol g cat −1h−1) is 5.3 times that of Bi 2 O 2.33 (22.41 μmol g cat −1h−1). In-situ Fourier transform infrared (In situ FTIR) spectroscopy and density functional theory (DFT) calculations manifest that Fe3+-Bi2+ dual active sites work together to promote nitrogen adsorption and activation, and the reaction path is more inclined toward alternate hydrogenation path. N 2 adsorption and activation properties are optimized by heteronuclear bimetallic active sites, which offers a new way for the rational design of nitrogen-fixing photocatalysts. [ABSTRACT FROM AUTHOR]

BACKGROUND: Excessive NaCl intake in liquid and semi‐solid food (e.g. soup, hot pot base, sauce) poses a high risk to human health, and reducing NaCl intake is a major concern for global health. RESULTS: Using the generalized Labeled Magnitude Scale (gLMS) method, the study verified the possibility of sodium reduction through oil addition. The compromised acceptance threshold (CAT) and hedonic rejection threshold (HRT) were determined. The gLMS results showed that the saltiness intensity of samples containing 0.36% NaCl and 2.29% sunflower seed oil was significantly higher than that of samples containing only 0.36% NaCl (P < 0.05). CAT and HRT results indicated that by adding 3.59% sunflower oil, the NaCl content could be reduced to a minimum of 0.14% without causing sensory rejection in bone broth samples. The quantitative descriptive analysis method was used to determine the effects of NaCl and oil concentrations on the sensory attributes of bone broth samples. Furthermore, it was used to analyze the consumer acceptability drivers in combination with the hedonic scale to optimize the formulation of reduced‐salt bone broth products. Notably, sample E (0.36% NaCl, 2.29% fat) not only had a significant salt reduction effect with a 20% decrease in NaCl, but also had improved overall acceptability. CONCLUSION: This study provides theoretical guidance for designing salt‐reduction cuisine within the catering and food industries, including bone broth and hot pot bases. © 2024 Society of Chemical Industry. [ABSTRACT FROM AUTHOR]

AbstractThis paper studies how rural-urban migration in China affects the vertical disintegration of firms. We construct a theoretical model and find that the inflow of rural migrants increases the output of firms in urban areas. This leads to a higher degree of vertical disintegration of firms due to the decreasing returns to scale. We also find that the wage of skilled workers relative to that of unskilled workers in urban areas is increased with rural migrants as the vast majority of rural migrants are unskilled. Our empirical findings are consistent with our model predictions using China’s population census and manufacturing firm-level data in 2005. [ABSTRACT FROM AUTHOR]

The neutrophil-to-lymphocyte ratio (NLR), an inflammatory marker, plays an important role in the inflammatory mechanisms of the pathophysiology and progression of acute ischemic stroke (AIS). The aim of this study was to identify the potential factors associated with functional prognosis in AIS. A total of 303 AIS patients were enrolled in this study; baseline information of each participant, including demographic characteristics, medical history, laboratory data, and 90-day functional outcome, was collected. Multivariate logistic regression analysis revealed that NLR, systolic blood pressure (SBP) and National Institutes of Health Stroke Scale (NIHSS) score were found to be independent factors for poor functional outcomes. Receiver operating characteristic (ROC) curve analysis was performed to estimate the predictive value of the NLR for 90-day functional outcome, with the best predictive cutoff value being 3.06. In the multivariate logistic regression analysis, three models were constructed: Model 1, adjusted for age, sex, SBP, and TOAST classification (AUC = 0.694); Model 2, further adjusted for the NIHSS score at admission (AUC = 0.826); and Model 3, additionally adjusted for the NLR (AUC = 0.829). The NLR at admission was an independent predictor of 90-day prognosis in patients with AIS. The risk factors related to poor 90-day functional outcomes were higher SBP, higher NLR, and a greater NIHSS score. [ABSTRACT FROM AUTHOR]

There is a wealth of evidence to suggest that childhood maltreatment is a major risk factor contributing to non-suicidal self-injury (NSSI) among adolescents. However, how and under what conditions childhood maltreatment is related to NSSI remains largely unclear. This study examined the indirect effect of depressive symptoms in the relation between childhood maltreatment and non-suicidal self-injury, as well as the moderating role of cognitive reappraisal and emotion reactivity in those associations. A sample of 1,984 Chinese adolescents (Mage = 12.84, SD = 1.27, 47.9% girls) completed self-report questionnaires. The results of path analysis showed that childhood maltreatment was significantly related to NSSI and that depressive symptoms play an indirect effect in the relation between them. Cognitive reappraisal mitigated the effect of childhood maltreatment on depressive symptoms, and emotion reactivity strengthened the effect of depressive symptoms on non-suicidal self-injury. The results further showed that the indirect effect of depressive symptoms was more prominent for youths with lower levels of cognitive reappraisal and greater emotion reactivity. Interventions that enhance cognitive reappraisal and reduce emotion reactivity may interrupt the pathway from childhood maltreatment to NSSI via depressive symptoms. [ABSTRACT FROM AUTHOR]

Let P, Q be two orthogonal projections and J be a symmetry such that J P = Q J . Based on the block operator technique and Halmos’ CS decomposition, we devote to characterizing the pseudo-regularity of R (P) and R (Q) . It is given the J-projection onto a regular complement of R (P) ∘ in R (P) (resp. R (Q) ∘ in R (Q) ). Furthermore, the sets of J-normal projections onto R (P) and R (Q) are obtained. [ABSTRACT FROM AUTHOR]

Using easily hydrolyzable brominated pyromellitic dianhydride (PMDA) as an electron acceptor, a wide variety of structurally stable binary organic charge‐transfer (CT) microcrystals that are stabilized by dominant intermolecular CT interactions is achieved. By varying the electron‐donating abilities of π‐electron compounds, the resulting single crystalline CT assemblies display tailorable fluorescence emissions spanning from green to near‐infrared. Upon implantation of a π‐electron donor anthracene (An) into fluoranthene‐PMDA (Fl‐PMDA), red and NIR emissions of ternary alloyed assemblies are substantially enhanced due to efficient energy transfer from Fl‐PMDA to An‐PMDA as well as structural complementarity between two CT complexes. Depending on the well‐matched epitaxial relationship, seeded growth of phenanthrene‐PMDA (Ph‐PMDA) onto the pre‐existing An‐PMDA microcrystals is also achieved, leading to core‐shell heterostructures with full and partial coverage. Such an epitaxial growth strategy is also applicable to the construction of microscale heterostructures of diverse CT complex combinations. The ternary Fl1−xAnx‐PMDA alloyed assemblies display composition‐dependent tailorable optical waveguiding behaviors. While An‐PMDA@Ph‐PMDA core‐shell microrods present wavelength‐dependent two‐photon excited fluorescence performances. The rational creation of these homogeneous and heterogeneous CT‐assembled architectures provides us a deep insight to investigate multicomponent functional organic cocrystals. [ABSTRACT FROM AUTHOR]

Research has demonstrated the predictive effect of maternal childhood maltreatment on adolescent internalizing problems. However, few studies have explored the mediating mechanisms of how mothers' experiences of childhood maltreatment are transmitted to their offspring's internalizing problems over time. The present multi-informant study investigated the potential mediating effects of maternal depressive symptoms and offspring's childhood maltreatment experiences on the relation between maternal childhood maltreatment and adolescent internalizing problems. A total of 823 Chinese youth (43.4% girls; Mage = 10.26 years, SD = 0.94) and their mothers participated in a two-wave longitudinal study with one-year intervals. Mothers reported their experiences of childhood maltreatment and depressive symptoms, while youth reported their childhood maltreatment experiences and internalizing problems. Findings of path analysis indicated that maternal emotional abuse at T1 could significantly predict adolescent internalizing problems at T2, after controlling for a baseline of adolescent internalizing problems. Maternal emotional abuse, emotional neglect, and physical neglect at T1 can influence adolescent internalizing problems at T2 through maternal depressive symptoms at T1 to adolescent internalizing problems at T1. Maternal emotional abuse at T1 displayed statistically significant indirect effects on adolescent internalizing problems at T2 successively through the pathway from adolescent emotional abuse at T1 to adolescent internalizing problems at T1. The findings supported the cycle of maltreatment hypothesis. The present study highlights the intergenerational link between maternal childhood maltreatment and adolescent internalizing problems, as well as reveals the mediating mechanisms in this relation. [ABSTRACT FROM AUTHOR]

Systemic Lupus Erythematosus (SLE) etiopathogenesis highlights the contributions of overproduction of CD4+ T cells and loss of immune tolerance. However, the involvement of CD8+ T cells in SLE pathology and disease progression remains unclear. Here, the comprehensive immune cell dysregulation in total 263 clinical peripheral blood samples composed of active SLE (aSLE), remission SLE (rSLE) and healthy controls (HCs) is investigated via mass cytometry, flow cytometry and single‐cell RNA sequencing. This is observed that CD8+CD27+CXCR3− T cells are increased in rSLE compare to aSLE. Meanwhile, the effector function of CD8+CD27+CXCR3− T cells are overactive in aSLE compare to HCs and rSLE, and are positively associated with clinical SLE activity. In addition, the response of peripheral blood mononuclear cells (PBMCs) is monitored to interleukin‐2 stimulation in aSLE and rSLE to construct dynamic network biomarker (DNB) model. It is demonstrated that DNB score‐related parameters can faithfully predict the remission of aSLE and the flares of rSLE. The abundance and functional dysregulation of CD8+CD27+CXCR3− T cells can be potential biomarkers for SLE prognosis and concomitant diagnosis. The DNB score with accurate prediction to SLE disease progression can provide clinical treatment suggestions especially for drug dosage determination. [ABSTRACT FROM AUTHOR]

Abundant active sites and their easy accessibility in a stable and conductive structure are of great importance for efficient electrocatalysts. In principle, activated mesoporous single‐crystal microparticles can meet these desired requirements. Here, the Fe‐doped NiS2 mesoporous single crystal microparticles decorated with FeS clusters on the pore walls (FeS@MSC‐NiS2:Fe) are constructed via a pre‐decorated and sequentially seeded mesoporous silica template. Throughout the external and internal surfaces, the Fe‐doped NiS2 modulated by the adjacent FeS clusters induces favorable charge distributions and promotes the crucial formation of the active Fe/Ni (oxy)hydroxide. Combined with the spatial enrichment effect of the intermediates in the holey space and the boosted charge transfer within the continuous single‐crystalline framework, the dually regulated FeS@MSC‐NiS2:Fe as ideal integral microreactors show efficient performances in oxygen evolution reaction. In electrochemical tests, the particulate FeS@MSC‐NiS2:Fe requires an overpotential of only 236 mV to reach a current density of 10 mA cm−2 and displays fast reaction kinetics with a Tafel slope of 32.4 mV dec−1. This study provides an important strategy to construct electrocatalysts with highly active sites and good accessibility. [ABSTRACT FROM AUTHOR]

Increasing evidence has confirmed the vital role of Notch signaling in the tumorigenesis of clear cell renal cell carcinoma (ccRCC). The underlying function of long non-coding RNA (lncRNA) related to Notch signaling in ccRCC remains unclear. In present study, the prognostic value and therapeutic strategy of Notch signaling-related lncRNA are comprehensively explored in ccRCC. In total, we acquired 1422 NSRlncRNAs, of which 41 lncRNAs were identified the key NSRlncRNAs associated with the occurrence of ccRCC. The prognostic signature containing five NSRlncRNAs (AC092611.2, NNT-AS1, AGAP2-AS1, AC147651.3, and AC007406.3) was established and validated, and the ccRCC patients were clustered into the high- and low-risk groups. The overall survival of patients in the low-risk group were much more favorable than those in the high-risk group. Multivariate Cox regression analysis indicated that the risk score was an independent prognostic biomarker. Based on the risk score and clinical variables, a nomogram for predicting prognosis of ccRCC patients was constructed, and the calibration curves and DCA curves showed the superior predictive ability of nomogram. The risk score was correlated with immune cell infiltration, targeted therapy or chemotherapy sensitivity, and multiple oncogenic pathways. Additionally, consensus clustering analysis stratified the ccRCC patients into four clusters with obvious different outcomes, immune microenvironments, and expression of immune checkpoints. The constructed NSRlncRNA-based signature might serve as a potential biomarker for predicting prognosis and response to immunotherapy or targeted therapy in patients with ccRCC. [ABSTRACT FROM AUTHOR]

[Display omitted] Hydrogen spillover effects will significantly improve the activity of photocatalytic hydrogen evolution reactions (HER), while their introduction and optimization require the construction of an excellent metal/support structure. In this study, we have synthesized Ru/TiO 2-x catalysts with controlled oxygen vacancy (OVs) concentrations using a simple one-pot solvothermal method. The results show that Ru/TiO 2-x3 with the optimal OVs concentration exhibits an unprecedentedly high H 2 evolution rate of 13604 μmol·g−1·h−1, which was 45.7 and 2.2 times higher than that of TiO 2-x (298 μmol·g−1·h−1) and Ru/TiO 2 (6081 μmol·g−1·h−1). Controlled experiments, detailed characterizations, and theoretical calculations have revealed that the introduction of OVs on the carrier contributes to the hydrogen spillover effect in the metal/support system photocatalyst and that the process of hydrogen spillover in this system can be optimized by modulating the OVs concentration. This study proposes a strategy to decrease the energy barrier of hydrogen spillover and enhance photocatalytic HER activity. Moreover, it investigates the effect of OVs concentration on the hydrogen spillover effect in the photocatalytic metal/supports system. [ABSTRACT FROM AUTHOR]

Precipitable water vapor (PWV) with high precision and high temporal resolution estimated by Global Navigation Satellite System (GNSS) is widely used in atmospheric research and weather forecasting. However, most previous works are not consensual concerning the characteristics of the PWV at different time scales and the identification of active and break spells during summ er monsoon climate in Guangxi, China. Taking radiosonde (RS) observations as reference, a strong correlation (R > 0.97) exists between GNSS PWV and RS PWV with a mean root mean square error (RMSE) of 2.68 mm. The annual, seasonal, monthly, and diurnal PWV variations of three years (2017, 2018 and 2020) over Guangxi in were comprehensively investigated using 104 GNSS stations and the fifth-generation European Centre for Medium-Range Weather Forecasts (ECMWF) Atmospheric Reanalysis (ERA5). The mean annual bias and RMSE between GNSS PWV and ERA5 PWV are −1.04 mm and 2.63 mm, respectively. The monthly bias and RMSE range are −0.77 to 3.87 mm, 1.32 to 4.45 mm, and the daily range is −1.41 to 1.07 mm and 1.11 to 5.02 mm, respectively. Additionally, the adopted average standardized rainfall anomaly criteria also identified 7/7/3 active spells and 5/3/7 break spells during the summer monsoon (June–September) from 2017 to 2020, respectively. During the three-year period, the daily amplitude ranges for active spells varied from 1.41 to 2.49 mm, 0.69 to 5.4 mm, and 0.88 to 1.41 mm, while the ranges for break spells were 2.45 to 6.76 mm, 1.66 to 8.17 mm, and 1.48 to 2.99 mm, respectively. The results show a superior performance of GNSS PWV compared to ERA5 PWV in Guangxi, and the maximum, minimum and occurrence time of PWV anomaly vary slightly with the season and the topography of stations. Despite temperature primarily exhibiting a negative correlation with rainfall, acting as a dampener, a positive correlation remains evident between PWV and rainfall. Therefore, densely distributed GNSS stations exhibit excellent capabilities in quantifying atmospheric water vapor and facilitating real-time monitoring of small and medium-scale weather phenomena. [ABSTRACT FROM AUTHOR]

Purpose: The objective of this investigation was to explore the diagnostic capability of Prostate Specific Antigen Mass Ratio (PSAMR) combined with Prostate Imaging Reporting and Data System (PI-RADS) scoring for clinically significant prostate cancer (CSPC), develop and validate a Nomogram prediction model for the probability of prostate cancer occurrence in patients who have not undergone prostate biopsy. Methods: Initially, we retrospectively collected clinical and pathological data of patients who underwent trans-perineal prostate puncture at Yijishan Hospital of Wanan Medical College from July 2021 to January 2023. Through logistic univariate and multivariate regression analysis, independent risk factors for CSPC were determined. Receiver Operating Characteristic (ROC) curves were generated to compare the ability of different factors for diagnosis of CSPC. Then, we split the dataset into a training set and validation set, compared their heterogeneity, and developed a Nomogram prediction model based on the training set. Finally, we validated the Nomogram prediction model in terms of discrimination, calibration, and clinical usefulness. Results: Logistic multivariate regression analysis illustrated that age [64–69 (OR = 2.736, P = 0.029); 69–75 (OR = 4.728, P = 0.001); > 75 (OR = 11.344, P < 0.001)], PSAMR [0.44–0.73 (OR = 4.144, P = 0.028); 0.73–1.64(OR = 13.022, P < 0.001); > 1.64(OR = 50.541, P < 0.001)], and PI-RADS score [4 points (OR = 7.780, P < 0.001); 5 points (OR = 24.533, P < 0.001)] were independent risk factors for CSPC. The Area Under the Curve (AUC) of the ROC curves of PSA, PSAMR, PI-RADS score, and PSAMR combined with PI-RADS score were respectively 0.797, 0.874, 0.889, and 0.928. The performance of PSAMR and PI-RADS score for diagnosis of CSPC was superior to PSA, but inferior to PSAMR combined with PI-RADS. Age, PSAMR, and PI-RADS were included in the Nomogram prediction model. The AUCs of the training set ROC curve and the validation set ROC curve were 0.943 (95% CI 0.917–0.970) and 0.878 (95% CI 0.816–0.940), respectively, in the discrimination validation. The calibration curve showed good consistency, and the decision analysis curve suggested the model had good clinical efficacy. Conclusions: We found that PSAMR combined with PI-RADS scoring had a strong diagnostic capability for CSPC, and provided a Nomogram prediction model to predict the probability of prostate cancer occurrence combined with clinical data. [ABSTRACT FROM AUTHOR]

As a common grassland management practice in many high‐latitude regions worldwide, mowing has great impacts on grassland functioning and stability. Species richness, species asynchrony and species stability have been suggested as central in responses to environmental change. Mowing can evoke plant defence system due to physical damages to plants. However, no studies have comprehensively evaluated the role of plant defence functional traits, species richness, species asynchrony and stability in ecosystem functioning under mowing regimes across timescales.In this study, we set up short‐term (4 years) and long‐term (16 years) mowing experiments with three stubble heights (control, 10 cm, 2 cm) in a temperate steppe of Inner Mongolia. We investigated the effects of mowing‐induced changes in distribution metrics associated with plant defence traits, that is mean, variance, skewness and kurtosis of trait distribution, on ecosystem stability of grassland communities using structural equation modelling.We found that grassland ecosystem stability was enhanced by increasing mowing duration and decreasing stubble height. Mowing‐induced increase in abundance and diversity of plant defence traits contributed to greater ecosystem stability by enhancing species asynchrony and population stability. Moreover, we found that mowing enhanced the abundance and diversity of plant defence traits of dominant species and contributed to population stability and species asynchrony, thus enhancing temporal stability of grassland ecosystems.These results demonstrate the important roles of plant defence traits in maintaining stability of grasslands under mowing, and highlight that, in addition to species richness, asynchrony and population stability, plant functional defence trait acts in stabilizing ecosystem functions under human‐induced environmental changes. Read the free Plain Language Summary for this article on the Journal blog. [ABSTRACT FROM AUTHOR]

This paper introduces a method for characterizing the current noise of commercial constant-current sources (CCSs) using a free-induction-decay (FID) type optically pumped rubidium atomic magnetometer driven by a radio frequency magnetic field. We convert the sensitivity of the atomic magnetometer into the current noise of CCS by calibrating the coil constant. At the same time, the current noise characteristics of six typical commercial low-noise CCSs are compared. The current noise level of the Keysight model B2961A is the lowest among the six tested CCSs, which is 36.233 ± 0.022 nA/Hz1/2 at 1–25 Hz and 133.905 ± 0.080 nA/Hz1/2 at 1–100 Hz. The sensitivity of the atomic magnetometer is dependent on the current noise level of the CCS. The CCS with low noise is of great significance for high-sensitivity atomic magnetometers. This research provides an important reference for promoting the development of high precision CCS, metrology, and basic physics research. [ABSTRACT FROM AUTHOR]

Chiral aggregation‐induced emission (AIE) molecules have drawn attention for their helical self‐assembly and special optical properties. The helical self‐assembly of AIE‐active chiral non‐linear main‐chain polymers can produce some desired optical features. In this work, a series of V‐shaped chiral AIE‐active polyamides P1‐C3, P1‐C6, P1‐C12 and linear P2‐C3, P2‐C6, bearing n‐propyl/hexyl/dodecyl side‐chains, based on tetraphenylbutadiene (TPB), were prepared. All target main‐chain polymers exhibit distinct AIE characteristics. The polymer P1‐C6 with moderate length alkyl chains shows better AIE properties. The V‐shaped main‐chains and the chiral induction of (1R,2R)‐(+)‐1,2‐cyclohexanediamine in each repeating unit promote the polymer chains display helical conformation, and multiple helical polymer chains induce nano‐fibers helicity when the polymer chains aggregate and self‐assemble in THF/H2O mixtures. Simultaneously, the helical conformation polymer chains and helical nano‐fibers cause P1‐C6 produce strong circular dichroism (CD) signals with positive Cotton effect. Moreover, P1‐C6 could also occur fluorescence quenching response to Fe3+ selectively with a low detection limit of 3.48 μmol/L. [ABSTRACT FROM AUTHOR]

Alzheimer's disease (AD) is a brain disease with a peculiarity of multiformity and an insidious onset. Multiple-target drugs, especially Chinese traditional medicine, have achieved a measure of success in AD treatment. Evodia rutaecarpa (Juss.) Benth. (Wuzhuyu, WZY, i.e., E. rutaecarpa), a traditional Chinese herb, has been identified as an effective drug to cure migraines. To our surprise, our in silico study showed that rather than migraines, Alzheimer's disease was the primary disease to which the E. rutaecarpa active compounds were targeted. Correspondingly, a behavioral experiment showed that E. rutaecarpa extract could improve impairments in learning and memory in AD model mice. However, the mechanism underlying the way that E. rutaecarpa compounds target AD is still not clear. For this purpose, we employed methods of pharmacology networking and molecular docking to explore this mechanism. We found that E. rutaecarpa showed significant AD-targeting characteristics, and alkaloids of E. rutaecarpa played the main role in binding to the key nodes of AD. Our research detected that E. rutaecarpa affects the pathologic development of AD through the serotonergic synapse signaling pathway (SLC6A4), hormones (PTGS2, ESR1, AR), anti-neuroinflammation (SRC, TNF, NOS3), transcription regulation (NR3C1), and molecular chaperones (HSP90AA1), especially in the key nodes of PTGS2, AR, SLCA64, and SRC. Graveoline, 5-methoxy-N, N-dimethyltryptamine, dehydroevodiamine, and goshuyuamide II in E. rutaecarpa show stronger binding affinities to these key proteins than currently known preclinical and clinical drugs, showing a great potential to be developed as lead molecules for treating AD. [ABSTRACT FROM AUTHOR]

Landslide susceptibility mapping (LSM) is essential for the spatial prediction of landslides and risk prevention. Physically based LSM models are confined by oversimplifications of physical processes and limited information about soil properties. Data-driven LSM models may give reliable results only when the training and the testing data have high similarity, and application in regions with different geological conditions is often inapplicable. This paper proposes four hybrid data-driven and physical models and compares these models in terms of cross-regional generalization ability and prediction uncertainty. The effects of physical module performance on the hybrid model are analyzed. For the physical modules of the four hybrid models, two-dimensional (2D) physically based models, TRIGRS and the infinite-slope stability models (ISSMs), and the three-dimensional (3D) physically based model, Scoops3D, are adopted. The data-driven modules all adopt the convolutional neural network (CNN) model. Two towns in the Three-Gorge Reservoir area of China are used as the training and testing areas. The results show that all hybrid models have better generalization ability than using the data-driven module exclusively. The prediction uncertainty is significantly reduced by pre-selecting training samples using the physical module. The optimal hybrid model is the one that integrates CNN and ISSM (under the saturated condition). It is then applied to a new region (Wushan County) to further validate the generalization ability. It can make accurate predictions without calibrating the trained model using new data from the validation area. Finally, the effectiveness of model averaging for improving the prediction performance is verified. Using model averaging, the AUC value in the validation area yields 0.834, which is even higher than the original realizations, with AUC values ranging from 0.683 to 0.817. Therefore, the optimal hybrid model can be directly used for LSM in the Three-Gorge Reservoir, and the findings can provide valuable guidance for generalization ability improvement and prediction uncertainty reduction of LSM models in other countries and regions. [ABSTRACT FROM AUTHOR]

The current study investigates second language acquisition of Chinese object ellipsis to probe the development of features transferred from learners' native language without robust confirming or disconfirming evidence in the second language (L2) input. It is argued that Chinese allows object ellipsis licensed by a verb with a [VCase] feature but not by a verb with a [Vnon-Case] feature. In contrast, Korean allows object ellipsis to be licensed by both types of verbs, whilst English prohibits both. An acceptability judgement task was conducted among first language (L1) English and L1 Korean L2 Chinese learners from elementary to advanced levels, with the results showing that the [Vnon-Case] feature was assembled in the Chinese grammars of English and Korean elementary L2 learners; however, it gradually lost its vigour and licensing power for object ellipsis in intermediate L2 grammars and was successfully removed from licensing object ellipsis in advanced L2 grammars. These findings support predictions by Yuan regarding a feature's dormant status and modify Yuan's predictions regarding a dormant feature's consequences. [ABSTRACT FROM AUTHOR]

In response to prolonged stimulation by tumour antigens, T cells gradually become exhausted. There is growing evidence that exhausted T cells not only lose their potent effector functions but also express multiple inhibitory receptors. Checkpoint blockade (CPB) therapy can improve cancer by reactivating exhausted effector cell function, leading to durable clinical responses, but further improvements are needed given the limited number of patients who benefit from treatment, even with autoimmune complications. Here, we suggest, based on recent advances that tumour antigens are the primary culprits of exhaustion, followed by some immune cells and cytokines that also play an accomplice role in the exhaustion process, and we also propose that chronic stress-induced hypoxia and hormones also play an important role in promoting T-cell exhaustion. Understanding the classification of exhausted CD8+ T-cell subpopulations and their functions is important for the effectiveness of immune checkpoint blockade therapies. We mapped the differentiation of T-cell exhausted subpopulations by changes in transcription factors, indicating that T-cell exhaustion is a dynamic developmental process. Finally, we summarized the novel immune checkpoints associated with depletion in recent years and combined them with bioinformatics to construct a web of exhaustion-related immune checkpoints with the aim of finding novel therapeutic targets associated with T-cell exhaustion in malignant tumours, aiming to revive the killing ability of exhausted T cells and restore anti-tumour immunity through combined targeted immunotherapy. [ABSTRACT FROM AUTHOR]

Background: Community-acquired pneumonia (CAP) is a major public health challenge worldwide. However, the aetiological and disease severity-related pathogens associated with CAP in adults in China are not well established based on the detection of both viral and bacterial agents. Methods: A multicentre, prospective study was conducted involving 10 hospitals located in nine geographical regions in China from 2014 to 2019. Sputum or bronchoalveolar lavage fluid (BALF) samples were collected from each recruited CAP patient. Multiplex real-time PCR and bacteria culture methods were used to detect respiratory pathogens. The association between detected pathogens and CAP severity was evaluated. Results: Among the 3,403 recruited eligible patients, 462 (13.58%) had severe CAP, and the in-hospital mortality rate was 1.94% (66/3,403). At least one pathogen was detected in 2,054 (60.36%) patients, with two or more pathogens were co-detected in 725 patients. The ten major pathogens detected were Mycoplasma pneumoniae (11.05%), Haemophilus influenzae (10.67%), Klebsiella pneumoniae (10.43%), influenza A virus (9.49%), human rhinovirus (9.02%), Streptococcus pneumoniae (7.43%), Staphylococcus aureus (4.50%), adenovirus (2.94%), respiratory syncytial viruses (2.35%), and Legionella pneumophila (1.03%), which accounted for 76.06–92.52% of all positive detection results across sampling sites. Klebsiella pneumoniae (p < 0.001) and influenza viruses (p = 0.005) were more frequently detected in older patients, whereas Mycoplasma pneumoniae was more frequently detected in younger patients (p < 0.001). Infections with Klebsiella pneumoniae, Staphylococcus aureus, influenza viruses and respiratory syncytial viruses were risk factors for severe CAP. Conclusions: The major respiratory pathogens causing CAP in adults in China were different from those in USA and European countries, which were consistent across different geographical regions over study years. Given the detection rate of pathogens and their association with severe CAP, we propose to include the ten major pathogens as priorities for clinical pathogen screening in China. [ABSTRACT FROM AUTHOR]

The visceral adiposity index (VAI) is related to the occurrence of various cardiometabolic diseases, atherosclerosis, and stroke. However, few studies have analyzed the impact on the short-term prognosis of stroke. We assessed the effect of VAI on short-term prognoses in patients with acute ischemic stroke through a retrospective cohort study of 225 patients with acute stroke who were admitted to the neurological intensive care unit of our hospital. We collected metabolic indicators (blood pressure, fasting glucose, lipids), National Institutes of Health Stroke Scale (NIHSS) scores, symptomatic intracranial hemorrhage, and other disease evaluation indicators on 197 patients who were screened for inclusion. VAI was calculated by using baseline data (sex, height, weight, waist circumference (WC)). We assessed functional recovery according to modified Rankin scale scores after 90 days. The receiver operating characteristic (ROC) curve was used to calculate the VAI cutoff value that affects short-term outcomes. A nomogram that can predict the risk of short-term mortality in patients with acute ischemic stroke was drawn. In total, 28 patients died within 90 days. Those patients had higher VAI (p = 0.000), higher triglyceride (TG) (p = 0.020) and NIHSS scores (p = 0.000), and lower high-density lipoprotein cholesterol (HDL-C) (p = 0.000) than patients who survived. VAI had higher predictive value of short-term mortality than did body mass index (BMI), body fat mass index (BFMI), and WC. VAI and NIHSS scores were independent risk factors for the short-term mortality of patients with stroke. Patients with a VAI > 2.355 had a higher risk of short-term mortality. VAI has a predictive value higher than that of traditional metabolic indicators such as BMI, BFMI, and WC. The nomogram, composed of NIHSS, VAI, HDL-C, and TG, may predict the short-term mortality of cerebral infarction patients. [ABSTRACT FROM AUTHOR]

Evaluation of regional submarine debris flows is critical for quantitative assessment of vulnerable areas and reasonable design of geohazard mitigation measures. In this article, an efficient numerical model for kinematics of regional submarine debris flows is developed. The proposed model can simulate the runout process and morphological evolution of submarine debris flows over natural 3D terrain by solving 1D depth-averaged governing equations in a geographic information system (GIS). A strength softening equation is introduced to capture the degradation of sliding material strength during the runout process. The model is validated by a flume test, two slump tests, and a real case history of submarine debris flow (St Niklausen slide). Applications to Shenhu area, South China Sea, are presented to demonstrate the ability of the proposed model over complex natural terrain and the importance of considering material softening. Results show that the proposed model is capable of simulating the whole debris flow process and tracking the propagation of the sliding material. Simulation of submarine debris flow without material softening will underestimate the disaster consequences. In addition, the influences of the ambient fluid and the yield strength of the sliding material on its runout behavior are also discussed. [ABSTRACT FROM AUTHOR]

Background: Rheumatoid arthritis (RA) is an autoimmune disease characterized by destructive and symmetrical joint diseases and synovitis. This research attempted to explore the mechanisms involving ferroptosis in RA, and find the biological markers by integrated analysis. Methods: Gene expression data (GSE55235 and GSE55457) of synovial tissues from healthy and RA individuals were downloaded. By filtering the differentially expressed genes (DEGs) and intersecting them with the 484 ferroptosis-related genes (FRGs), the overlapping genes were identified. After the enrichment analysis, the machine learning-based approaches were introduced to screen the potential biomarkers, which were further validated in other two datasets (GSE77298 and GSE93272) and cell samples. Besides, we also analyze the infiltrating immune cells in RA and their correlation with the biomarkers. Results: With the criteria, 635 DEGs in RA were included, and 29 of them overlapped in the reported 484 FRGs. The enrichments of the 29 differentially expressed ferroptosis-related genes indicated that they may involve in the FoxO signaling pathway and inherited metabolic disorder. RRM2, validating by the external datasets and western blot, were identified as the biomarker with the high diagnostic value, whose associated immune cells, such as Neutrophils and Macrophages M1, were also further evaluated. Conclusion: We preliminary explored the mechanisms between ferroptosis and RA. These results may help us better comprehend the pathophysiological changes of RA in basic research, and provide new evidences for the clinical transformation. [ABSTRACT FROM AUTHOR]

Emission from polycyclic aromatic hydrocarbons (PAHs), a commonly used indicator of star formation activity in galaxies, also has the potential to serve as an effective empirical tracer of molecular gas. We use a sample of 19 nearby galaxies with spatially resolved mid-infrared Spitzer spectroscopy, multiwavelength optical and mid-infrared imaging, and millimeter interferometric CO(1–0) maps to investigate the feasibility of using PAH emission as an empirical proxy to estimate molecular gas mass. PAH emission correlates strongly with CO emission on subkiloparsec scales over the diverse environments probed by our sample of star-forming galaxies and low-luminosity active galactic nuclei. The tight observed correlation, likely a consequence of photoelectronic heating of the diffuse interstellar gas by the PAHs, permits us to derive an empirical calibration to estimate molecular gas mass from the luminosity of PAH emission that has a total scatter of only ∼0.2–0.25 dex. Mid-infrared bands sensitive to PAH emission (e.g., the Spitzer/IRAC4 and WISE/W3 filters) can also be used as a highly effective substitute for this purpose. [ABSTRACT FROM AUTHOR]

Background: We attempted to explore the common and distinct long- and short-range functional connectivity (FC) patterns of melancholic and non-melancholic major depressive disorder (MDD) and their associations with clinical characteristics.Methods: Fifty-nine patients with first-episode drug-naïve MDD, including 31 patients with melancholic features and 28 patients with non-melancholic features, underwent resting-state functional magnetic resonance imaging (fMRI) scanning to examine long- and short-range FC. Thirty-two healthy volunteers were recruited as controls. The support vector machines (SVM) was applied to distinguish the melancholic patients from the non-melancholic patients by using the FC of abnormal brain regions.Results: Compared to healthy volunteers, patients with MDD showed increased long-range positive FC (lpFC) in the right insula/inferior frontal gyrus and left insula. Relative to non-melancholic patients, melancholic patients displayed decreased lpFC in the right lingual gyrus, decreased short-range positive FC (spFC) in the right middle temporal gyrus and right superior parietal lobule, increased lpFC in the left inferior parietal lobule, and increased spFC in the left middle occipital gyrus/inferior occipital gyrus, left cerebellum VII/IX, and bilateral cerebellum CrusII. Increased lpFC in the left inferior parietal lobule in melancholic patients was correlated with the TEPS abstract anticipatory scores. SVM results showed that FCs of five combinations within different brain regions could distinguish melancholic patients from non-melancholic patients.Conclusions: FC abnormalities in the default mode network and parietal-occipital brain regions may underlie the neurobiology of melancholic MDD. An increased lpFC in the left inferior parietal lobule correlated with anhedonia may be a distinctive neurobiological feature of melancholic MDD. [ABSTRACT FROM AUTHOR]

As a technique for accelerating and stabilizing training, the batch normalization (BN) is widely used in deep learning. However, BN cannot effectively estimate the mean and the variance of samples when training/fine-tuning with small batches of data on resource-constrained devices. It will lead to a decrease in the accuracy of the deep learning model. In the fruit fly olfactory system, the algorithm based on the "negative image" habituation model can filter redundant information and improve numerical stability. Inspired by the circuit mechanism, we propose a novel normalization method, the habituation normalization (HN). HN first eliminates the "negative image" obtained by habituation and then calculates the statistics for normalizing. It solves the problem of accuracy degradation of BN when the batch size is small. The experiment results show that HN can speed up neural network training and improve the model accuracy on vanilla LeNet-5, VGG16, and ResNet-50 in the Fashion MNIST and CIFAR10 datasets. Compared with four standard normalization methods, HN keeps stable and high accuracy in different batch sizes, which shows that HN has strong robustness. Finally, the applying HN to the deep learning-based EEG signal application system indicates that HN is suitable for the network fine-tuning and neural network applications under limited computing power and memory. [ABSTRACT FROM AUTHOR]

Herein, density functional theory was used to study the isomerization mechanism of azobenzenesulfonamide at the ωB97XD/6-31G(d) level. The similarities and differences among the isomerization of single- and bi-molecular azobenzenesulfonamide derivatives with silicon substrates are discussed. The calculated results show that azobenzenesulfonamide (PhN1＝N2SO2NH2Ph) has two rotation-assisted inversion isomerism modes: N1 inversion and N2 inversion. These two isomerization pathways are closely related to the substituents on the benzene ring connected to the N1 atom. The stronger the electron-withdrawing ability of the substituent, the easier it is for the N1 inversion to occur. In addition, the cis–trans isomerization mechanism of a single molecular azobenzenesulfonamide derivative with a silicon substrate is similar to that without a silicon substrate. However, the isomerization pathway of a bi-molecular azobenzenesulfonamide derivative on a silicon substrate is different from that of single-molecule isomerization. Among them, the first molecular functional group of azobenzenesulfonamide undergoes N2 inversion, the second molecular functional group then adopts the N1 inversion mode, and the free energy barriers of isomerization of the two molecular functional groups are 26.88 and 13.99 kcal mol−1, respectively. This may be related to the steric hindrance of the groups in the conversion isomers. Interestingly, compared to the isomerization of the first and second azobenzenesulfonamide molecular functional groups, the energy barrier of the second group is significantly reduced. This will provide theoretical insights into the design of azobenzene and the action of its derivatives as molecular switches in polymerization systems. [ABSTRACT FROM AUTHOR]

The association between a proactive personality and entrepreneurial career intention with the moderating effect of social class (socioeconomic status and subjective social class) was examined in Chinese college students in the current study. After controlling for gender and university grade, a proactive personality was discovered to positively predict entrepreneurial intention (both goal intention and implementation intention) among a sample of 367 college students (228 females and 139 males; 119 freshmen, 166 sophomores, and 82 juniors). Subjective social class strengthened the relationship between a proactive personality and entrepreneurial intention, whereas socioeconomic status did not significantly moderate this relationship. Finally, the implications of the results and suggestions for future research were discussed. [ABSTRACT FROM AUTHOR]

Background the timing of incident injurious falls at different stages of dementia diagnosis is unclear. Objectives to identify when the occurrence of injurious falls begins to increase among individuals who are going to develop dementia, to explore the time point at which people living with dementia are at highest risk of injurious falls and to ascertain differences in fall-related factors pre- and post-dementia diagnosis. Design this study included 2,707 participants with incident dementia and 2,707 1:1 matched (i.e. same birth year and sex) controls without dementia. Methods dementia diagnosis and date of onset were identified from the National Patient Registry (NPR) and the Swedish Cause of Death Register following international criteria. Information on injurious falls and history of chronic disease was obtained from the NPR. Data were analysed using conditional Poisson regression and generalized estimating equation models. Results compared with controls, the incidence of injurious falls among participants with dementia started to increase beginning 4 years pre-diagnosis (incidence rate ratio [IRR] 1.70, 95% confidence interval [CI] 1.30–2.22), reaching a peak (IRR 3.73, 95% CI 3.16–4.41) in the year of dementia diagnosis. Heavy drinking, physically active and cardiometabolic diseases (CMDs) were associated with incident falls among those with dementia. Conclusion people with dementia have a higher incidence of injurious falls beginning 4 years leading up to diagnosis and peaking during the year of diagnosis. Older age, female, heavy drinking, physically active and CMDs may predict injurious falls among people with dementia. [ABSTRACT FROM AUTHOR]

Increased polyclonal free light chains (FLCs) are found in inflammatory conditions. Inflammation is recognized in the progression of acute kidney injury (AKI). This study was aimed to determine whether polyclonal combined FLC (cFLC) was associated with prognosis of AKI patients. This prospective cohort included 145 adults with hospital-acquired AKI following cardiovascular surgery between 2014 and 2016, according to the KDIGO creatinine criteria. The primary end point of the study was all-cause death during follow-up. The median of serum cFLC concentration in the cohort was 42.0 (31.9–60.3 mg/L) and levels of cFLC in patients with AKI stage 3 were higher than those in AKI stage 1 and stage 2. cFLC levels correlated significantly with renal function biomarkers, high sensitivity C-reactive protein (hsCRP), and sequential organ failure assessment (SOFA) score. Patients were organized into the following two groups: the low-cFLC group (cFLC <43.3 mg/L) and the high-cFLC group (cFLC ≥ 43.3 mg/L). A total of 17 (11.0%) patient deaths occurred within 90 d, 13 (18.8%) in the high-cFLC group. Kaplan–Meier analysis revealed that the two groups differed significantly with respect to 90-d survival (log-rank p =.012), and Cox regression analysis showed that an cFLC level ≥43.3 mg/L was significantly associated with a 5.0-fold increased risk of death (adjusted hazard ratio [HR], 5.95; 95% confidence interval [CI], 1.04– 33.91; p =.045) compared with an cFLC level <43.3 mg/L. Serum cFLC levels were significantly elevated and might be an independent predictor of mortality in patients with AKI following cardiovascular surgery. [ABSTRACT FROM AUTHOR]

This study evaluates the efficacy and safety of plasmapheresis without plasma transfusion tandem with chemotherapy in treating multiple myeloma (MM). This retrospective study involves seventy-two patients, newly diagnosed with multiple myeloma, divided into two groups; one with plasmapheresis without plasma transfusion tandem with the chemotherapy group (Trial group), while the second was chemotherapy group (Control group). The levels of Plasma Globulin, β2-microglobulin, Creatinine, Vascular endothelial growth factor (VEGF), and IL-6 were monitored after plasmapheresis, at initial diagnosis, and after four chemotherapy courses. Overall response rate of groups after four courses of chemotherapy was analyzed, and the adverse events were recorded. The baseline data showed that sixty-seven percent of patients were at the ISS III stage and showed more severe renal insufficiency in the Trial group. The Plasma Globulin, β2-microglobulin, VEGF and IL-6 levels were significantly different between the two groups during the initial diagnosis. After three times plasmapheresis, Plasma Globulin, β2-microglobulin, VEGF, and IL-6 were significantly reduced in the plasmapheresis group. The Creatinine levels were also lowered, but the differences were not statistically significant. After four courses of chemotherapy, the levels of VEGF and IL-6 in the two groups were significantly reduced than the initial diagnosis; the differences were statistically considerable. No adverse events were found in the trial group as compared to the control group. Plasmapheresis reduces Globulin, β2-microglobulin, serum VEGF and IL-6 levels in MM, improves renal functions, and releases some patients from dialysis dependence. [ABSTRACT FROM AUTHOR]

The classic E-Bayesian estimation methods can only derive point estimation of the reliability parameters. In this paper, an improved E-Bayesian estimation method is proposed to evaluate product reliability under heavily censored data, which can achieve both point and confidence interval estimation for the reliability parameters. Firstly, by analyzing the concavity & convexity and function characteristics of the Weibull distribution, the value of product failure probability is limited to a certain range. Secondly, an improved weighted least squares method is utilized to construct the confidence interval estimation model of reliability parameters. Simulation results show that the proposed approach can significantly improve the calculation speed and estimation accuracy with just very few robustness reductions. Finally, a real-world case study of the sun gear transmission mechanism is used to validate the effectiveness of the presented method. [ABSTRACT FROM AUTHOR]

Objective. The lymphocyte transformation test is a classical test for the detection of cellular immune function and is based on subjective judgment. In this study, we have established an objective novel lymphocyte transformation test using the hematology analyzer to observe lymphocyte transformation. Methods. Whole blood cells were cultured using a whole blood method with a lymphocyte culture medium; phytohemagglutinin was used to stimulate the experimental samples, and control was set up at the same time. After the whole blood cells were cultured, the number of lymphocytes in the two groups was observed using a hematology analyzer, and the conversion rate was calculated. The new method was used to observe differences in lymphocyte conversion in the peripheral blood of patients with hematopathy and healthy persons. Results. There were significant differences between the stimulated peripheral blood group and the blank group. The transformation rate of peripheral blood lymphocytes in patients with hematopathy was significantly lower than that in healthy persons; the difference was statistically significant (P < 0.05). Conclusion. Lymphocyte transformation can be observed using a hematology analyzer. The lymphocyte transformation test that is based on the determination of lymphocyte count by a hematology analyzer has important clinical value. [ABSTRACT FROM AUTHOR]

With the many-body expansion method, an accurate global potential energy surface (PES) is constructed for Si H 2 + (X2A1) by mapping 4762 ab initio energy points calculated on the multireference configuration interaction level including Davidson corrections with aug-cc-pV6Z Dunning's basis set. The dissociation energies and equilibrium geometries of SiH+(X1Σ+) and H 2 ( X 1 Σ g + ) agree well with the experimental results. The topographical characteristics of all stationary points for the SiH 2 + ( X 2 A 1 ) PES are discussed in detail and compared with other theoretical and experimental results. In order to verify the validity and usability of the present PES, the dynamics calculations based on the Chebyshev quantum wave packet method are performed for the H (S 2 ) + Si H + ( X 1 Σ + ) → S i + (P 2 ) + H 2 ( X 1 Σ g + ) reaction. The probabilities, the total integral cross sections, and the rate constants are computed, and the analogies with the corresponding ones of reaction H (S 2 ) + C H + ( X 1 Σ + ) → C + (P 2 ) + H 2 ( X 1 Σ g + ) are also made. The reasonable dynamical behavior throughout the entire configuration space indicates that the PES is suitable for relevant dynamics investigations and serves as a building block for constructing the PES of larger molecular systems containing Si+/H. [ABSTRACT FROM AUTHOR]

C30H72N10O7S2, triclinic, P1̄ (no. 2), a = 8.75510(10) Å, b = 15.1170(2) Å, c = 16.8843(2) Å, α = 76.272 (1) ° , β = 78.397 (1) ° , γ = 88.277 (1) ° , V = 2126.09(5) Å3, Z = 2, Rgt(F) = 0.0407, wRref(F2) = 0.1282, T = 296(2) K. [ABSTRACT FROM AUTHOR]

The single-sheeted potential energy surface (PES) of H 2 S + (X 2 A ′ ′ ) is developed based on the ab initio energies calculated by the multi-reference configuration interaction method including the Davidson correction. All the ab initio energies are first calculated using aug-cc-pVQdZ and aug-cc-pV5dZ basis sets, which are then extrapolated to the complete basis set (CBS) limit. A switching function is developed to model the transition of S + D 2 to S + S 4 . The many-body expansion formalism is employed to obtain the H 2 S + (X 2 A ′ ′ ) PES by fitting such CBS energies and the root-mean square derivation is 0.0367 eV. The topographical features of the present PES are examined in detail, which are well consistent with previous studies. The quasiclassical trajectory method is subsequently utilized to study the S + D 2 + H 2 ( X 1 Σ g + ) → S H + (X 3 Σ − ) + H (S 2 ) reaction. The capture time, integral cross sections, and rovibrational distributions are calculated. By examining the capture time, it can be concluded that the title reaction is mainly controlled by the indirect mechanism for lower collision energies, while the direct and indirect mechanisms coexist and the latter plays a dominant role for higher collision energies. [ABSTRACT FROM AUTHOR]

Most previous studies on the quantitative risk assessment (QRA) of landslides focused on the probability of slope failure at the pre-failure stage and adopted empirical models for consequence analysis. The conventional approaches simplify the relationship between the pre-failure state and the post-failure behavior and cannot reasonably account for the effects of uncertainty on the entire landslide process. In this paper, an efficient QRA method that involves the direct simulation of the entire landslide process is proposed. A QRA formula that considers the probability of only those landslides that can impact the element at risk is used. The coupled Eulerian–Lagrangian method is used to simulate the entire landslide process and to identify slopes that can impact the element at risk and determine the failure consequences. The subset simulation method is adopted to efficiently estimate the probability of landslide impact, and parameter uncertainty is considered. Two case histories of landslides are investigated. First, the 2011 Baqiao loess landslide in Xi'an, China, is investigated, and the results of the proposed method are compared with those of the conventional approaches. Second, the proposed method is applied to assess the risk of the 2015 Ganjingzi landslide in the Three Gorges Reservoir. The effects of the risk mitigation works are also discussed. [ABSTRACT FROM AUTHOR]

A free-induction-decay (FID) type optically-pumped rubidium atomic magnetometer driven by a radio-frequency (RF) magnetic field is presented in this paper. Influences of parameters, such as the temperature of rubidium vapor cell, the power of pump beam, and the strength of RF magnetic field and static magnetic field on the amplitude and the full width at half maximum (FWHM) of the FID signal, have been investigated in the time domain and frequency domain. At the same time, the sensitivities of the magnetometer for the single-pass and the triple-pass probe beam cases have been compared by changing the optical path of the interaction between probe beam and atomic ensemble. Compared with the sensitivity of ∼21.2 pT/ Hz 1 / 2 in the case of the single-pass probe beam, the amplitude of FID signal in the case of the triple-pass probe beam has been significantly enhanced, and the sensitivity has been improved to ∼13.4 pT/ Hz 1 / 2 . The research in this paper provids a reference for the subsequent study of influence of different buffer gas pressure on the FWHM and also a foundation for further improving the sensitivity of FID rubidium atomic magnetometer by employing a polarization-squeezed light as probe beam, to achieve a sensitivity beyond the photo-shot-noise level. [ABSTRACT FROM AUTHOR]

In this work, a novel, earth-abundant, and environmentally benign NaFeSi2O6 catalyst is synthesized by a one-step solvothermal method without the introduction of any surfactants. NaFeSi2O6 is for the first time applied to the heterogeneous photo-Fenton reaction for the degradation of RhB under visible-light irradiation with long-term stability and a wide working pH range. ˙OH plays the most important role in the photo-Fenton process. Besides, ˙O2− and h+ are also generated and involved in this reaction simultaneously. Combining the experimental results and theoretical calculations, it can be confirmed that NaFeSi2O6 can be regarded as a promising catalyst to improve the efficiency of the heterogeneous photo-Fenton reaction. [ABSTRACT FROM AUTHOR]

Y 2 O 3 –MgO nanocomposites have received attention owing to their high optical and mechanical properties. However, the inevitable light scattering stemming from the refractive index difference between the two phases limits their applications in the near-infrared region. In this study, the grain boundary light scattering was reduced by doping ZnO into MgO. Y 2 O 3 –Mg 1−x Zn x O nanocomposites were fabricated by hot-press sintered nanopowders synthesized via the sol-gel combustion process. The addition of ZnO reduced the sintering temperature by almost 300 °C and reduced the average grain size by more than 50 nm. Transmittance of 75%–85% was maintained for all samples in the wavelength range of 2–6 µm. The near-infrared cut-on wavelength shifted from 1222 to 843 nm when the ZnO concentration was up to 25 mol%. This work demonstrates the potential of ZnO-doped Y 2 O 3 –MgO nanocomposites as infrared transparent ceramics over a wide infrared transmission range. [ABSTRACT FROM AUTHOR]

In contrast to unary assemblies comprising π‐conjugated organic species, elaborate modulation of dimensions, polymorphisms, and compositions of multicomponent assembled architectures with two or more constituent materials has not yet been systematically studied. Herein, a combinatorial library of organic microcrystals made of four components via a solution‐phase assembly route is reported. With the involvement of growth kinetics, four organic species with slight structural modifications can assemble into five unary assemblies, which may endow binary combinations with highly and partially structural miscibility. Consequently, a variety of binary alloyed assemblies and microscale heterostructures with tailorable dimensions, polymorphisms, and emission colors are realized by rational compositional and growth control. The effects of structural relations of binary combinations on their miscibility are systematically uncovered, that gives rise to these intricate microscale architectures as well as diverse energy transfer (ET) efficiencies. Highly efficient ET process in binary alloyed assemblies can be beneficial to steady‐state photoluminescence anisotropy amplification. Benefiting from the information of binary combinations, white‐light‐emitting ternary microsheets can be modulated in a predictable manner. The present work uncovers the rational control of multicomponent microcrystals, which further stretches the boundaries of molecular self‐assembly and may be used to achieve integrated optoelectronic properties, such as multicolor lasers and p–n junctions. [ABSTRACT FROM AUTHOR]

This paper reports a comprehensive experimental and numerical investigation of the cross-section behavior and capacity of hot-rolled stainless steel channel sections subjected to combined compression and major-axis bending. An experimental program was first carried out and comprised measurement of initial geometric imperfections and 10 eccentric compression tests. This was accompanied by a numerical modeling program, in which nonlinear finite-element models were first built to replicate the test observations and subsequently utilized to carry out parametric studies for producing more numerical data over a broader spectrum of loading combinations and cross-section dimensions. The data obtained from experiments and parametric studies were utilized to assess the accuracy of the relevant codified interaction curves as used in Europe and the US. The assessments showed that the codified interaction curves resulted in conservative capacity predictions due to the lack of proper consideration of the beneficial stress redistribution and material strain hardening. To overcome these shortcomings, new interaction curves were developed and resulted in greatly improved design accuracy in comparison with the codified interaction curves. [ABSTRACT FROM AUTHOR]

This paper reports an experimental and numerical investigation into the minor-axis flexural buckling behavior and capacity of press-braked S690 high-strength steel channel–section columns. The experimental investigation comprised initial geometric imperfection measurements and 10 pin-ended column tests. This was accompanied by a numerical modeling program, in which finite-element models were developed and validated against the test results and then adopted to perform parametric studies to generate further numerical data over a wide range of cross-section dimensions and member lengths. The obtained test and numerical data were adopted to assess the accuracy of the buckling curves, as given in the Eurocode, North American specification, and Australian/New Zealand standard, for press-braked S690 high-strength steel channel–section columns prone to minor-axis flexural buckling. Overall, it was found that the Eurocode buckling curve yields many conservative capacity predictions, whereas the buckling curves in the North American specification and the Australian/New Zealand standard lead to an overall good degree of design accuracy. A revised Eurocode buckling curve is proposed, and was shown to offer accurate capacity predictions for press-braked S690 high-strength steel channel–section columns prone to minor-axis flexural buckling. [ABSTRACT FROM AUTHOR]

Cross-chain interaction plays a crucial role in enhancing asset circulation and data sharing across diverse blockchain systems. However, achieving secure and stable cross-chain data transactions remains a significant challenge. Traditional frameworks often prioritize efficiency, leading to potential security vulnerabilities, such as single points of failure and excessive computational burdens. These issues compromise the reliability of cross-chain interactions, necessitating the development of more robust methodologies to ensure secure data communication across consortium blockchains. To address these concerns, this paper proposes a novel cross-chain data interaction protocol based on a relay network, incorporating auditing and result arbitration mechanisms using short signatures from bilinear pairings. The protocol employs a trusted execution environment (TEE) within the relay network to execute service nodes that record transaction states. This approach not only reduces the computational load on the chain but also facilitates effective coordination for cross-chain consensus. Moreover, we present a cross-chain asynchronous consensus mechanism, named d-PBFT, to improve the flexibility of the cross-chain network. Security analysis and experimental results show that the protocol enhances the efficiency and ensures the security of cross-chain interaction, while reducing on-chain storage consumption. Thus, the protocol has a high level of security and feasibility for cross-chain data interaction among consortium blockchains. © 2014 xxxxxxxx. Hosting by Elsevier B.V. All rights reserved. [ABSTRACT FROM AUTHOR]

• A hierarchical porous Indium-doping ZnO micro-bowl is constructed through an in-situ corrosion method. • The abundant voids and nanopores facilitate the ionic transport and accommodating the volumetric changes. • The Indium-doping accelerates the transition kinetics between Zn and ZnO through enhancing the electrical/ionic conductivity and adsorption to OH–. • The Indium-doping inhibits the hydrogen evolution. • The In-ZnO demonstrates high Zn utilization of 92.3%, and high capacity of 590.2 mAh/g even at high current density of 36 A/g. Aqueous nickel-zinc (Ni-Zn) battery is one promising grid energy storage device owing to its high theoretical energy density, high safety and low cost. However, the large-scale commercialization of Ni-Zn battery is significantly hindered by its low practical energy density and poor cycle lifespan caused by the low reversibility and transition kinetics between the metallic Zn and ZnO with low Zn utilization. To address these issues, a type of hierarchical porous Indium-doping ZnO micro-bowls (In-ZnO) is constructed through an in-situ chemical corrosion strategy. The abundant voids and pores facilitate the ionic transport, and simultaneously accommodate the volumetric expansion during the electrochemical transition between metallic Zn and ZnO. Density functional theory calculations further reveal that In-ZnO achieves the enhanced electrical/ionic conductivity and improved adsorption to OH–, accelerating the solid–liquid transitions of Zn-Zn(OH) 4 2- and Zn(OH) 4 2--ZnO, as well as the solid–solid transition of Zn-ZnO. Simultaneously, the Indium-doping inhibits the hydrogen evolution and passivation. Ascribed to the synergetic effect of the hierarchical porous structure and Indium-doping, the In-ZnO electrode demonstrates ultra-stable capacity retention of 98.6% over 1000 cycles at 9 A g-1 under 92.3% Zn utilization, and high capacity of 590.2 mAh g-1 even at high current density of 36 A g-1. [ABSTRACT FROM AUTHOR]