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Although high-temperature solid-phase methods have become the dominant route for manufacturing layered oxide cathode materials in industry, severe Li+/Ni2+ cation mixing problems caused by high-temperature processes still prevent the realization of high-performance lithium-ion batteries. Herein, a wet chemical lithiation method by stepwise lithium intercalation to reduce and shorten the sintering temperature and time of the post-treatment process is proposed. Li 0.6 H x Ni 0.52 Co 0.19 Mn 0.29 O 2 stepwise products with lithiation efficiencies exceeding 60% were obtained at reaction temperatures below 200 °C. The as-prepared LiNi 0.52 Co 0.19 Mn 0.29 O 2 (HT-52-S) exhibits low Li+/Ni2+ cation mixing and good comprehensive electrochemical performance after subsequent heat treatment to complete all lithiation. Compared with LiNi 0.52 Co 0.19 Mn 0.29 O 2 (SS-52) prepared by the conventional high-temperature solid-phase method, the Li+/Ni2+ cation mixing of HT-52-S was relatively reduced by 57.9%, and the capacity retention after 100 cycles at 1 C was relatively improved by 22.1%. We believe that this work can serve as a useful reference to develop manufacturing processes for high-performance layered oxide cathode materials. [ABSTRACT FROM AUTHOR]

BACKGROUND RESULTS CONCLUSIONS The total volatile basic nitrogen (TVB‐N) is the main indicator for evaluating the freshness of fish meal, and accurate detection and monitoring of TVB‐N is of great significance for the health of animals and humans. Here, to realize fast and accurate identification of TVB‐N, in this article, a self‐developed electronic nose (e‐nose) was used, and the mapping relationship between the gas sensor response characteristic information and TVB‐N value was established to complete the freshness detection.The TVB‐N variation curve was decomposed into seven subsequences with different frequency scales by means of variational mode decomposition (VMD). Each subsequence was modelled using different long short‐term memory (LSTM) models, and finally, the final TVB‐N prediction result was obtained by adding the prediction results based on different frequency components. To improve the performance of the LSTM, the sparrow search algorithm (SSA) was used to optimize the number of hidden units, learning rate and regularization coefficient of LSTM. The prediction results indicated that the high accuracy was obtained by the VMD‐LSTM model optimized by SSA in predicting TVB‐N. The coefficient of determination (R2), the root‐mean‐squared error (RMSE) and relative standard deviation (RSD) between the predicted value and the actual value of TVBN were 0.91, 0.115 and 6.39%, respectively.This method improves the performance of e‐nose in detecting the freshness of fish meal and provides a reference for the quality detection of e‐nose in other materials. © 2024 Society of Chemical Industry. [ABSTRACT FROM AUTHOR]

In this contribution, a series of unsymmetric α‐diimine nickel complexes are synthesized. One side of these nickel complexes is the 2,4‐dimethyl‐6‐diphenylmethylaniline unit, and the steric effects are tuned by changing another aniline unit. These nickel complexes have high catalytic activities in ethylene (>106 g mol−1 h−1) and 1‐octene (104–105 g mol−1 h−1) polymerization, generating high‐molecular‐weight polyolefins (Mn > 104 g mol−1) with tunable branching densities (59–91/1000C). Steric effects and polymerization temperature can significantly affect the catalytic performance of the catalyst. Most importantly, catalysts with different steric hindrances have different temperature sensitivity. In general, catalysts with larger steric hindrances are more sensitive to temperature. This may be due to the fact that the rotation of some chemical bonds is blocked at low temperatures due to the larger volume of the substituents, resulting in more significant temperature sensitivity. [ABSTRACT FROM AUTHOR]

Adverse experiences in early life can induce maladaptive responses to acute stress in later life. Chronic social isolation during adolescence is an early life adversity that can precipitate stress‐related psychiatric disorders. We found that male mice after 8 weeks of adolescent social isolation (SI) have markedly increased aggression after being exposed to 2 h of restraint stress (RS), which was accompanied by a significant increase of AMPA receptor‐ and NMDA receptor‐mediated synaptic transmission in prefrontal cortex (PFC) pyramidal neurons of SIRS males. Compared to group‐housed counterparts, SIRS males exhibited a significantly decreased level of histone H3 acetylation in PFC. Systemic administration of class I histone deacetylase inhibitors, romidepsin or MS‐275, ameliorated the aggressive behaviour, as well as general social interaction deficits, of SIRS males. Electrophysiological recordings also found normalization of PFC glutamatergic currents by romidepsin treatment of SIRS male mice. These results revealed an epigenetic mechanism and intervention avenue for aggression induced by chronic social isolation. Key points: Adolescent chronic social isolation can precipitate stress‐related psychiatric disorders.A significant increase of glutamatergic transmission is found in the prefrontal cortex (PFC) of socially isolated male mice exposed to an acute stress (SIRS).Treatment with class I histone deacetylase (HDAC) inhibitors ameliorates the aggressive behaviour and social interaction deficits of SIRS males, and normalizes glutamatergic currents in PFC neurons.It provides an epigenetic mechanism and intervention avenue for aberrant stress responses induced by chronic social isolation. [ABSTRACT FROM AUTHOR]

Efficient detection of chemical oxygen demand (COD) is crucial for effective pollution prevention. Traditional Cu‐based electrodes, widely utilized for COD sensors suffer from issues related to low activity and stability. This study introduced a novel approach by employing a copper foam‐supported metal‐organic frameworks (Cu‐MOF), synthesized through a solvothermal method, which is subsequently pyrolyzed to yield a carbon‐capsulated CuOx/Cu foam electrode. Cyclic voltammetry analysis demonstrated that the carbon‐capsulated CuOx/Cu foam electrode exhibited superior redox activity, notably generating an increased amount of Cu(III) species. This enhancement significantly contributed to the electrocatalytic oxidation of organic compounds. The developed electrode demonstrated a wide linear detection range of 5–600 ppm, with a low detection limit of 0.96 ppm (S/N=3) for COD sensing. Notably, the sensor exhibited excellent anti‐interference capabilities, desirable reproducibility, and stability. The proposed method was successfully applied to determine COD in real water samples. Comparative analysis with the standard potassium dichromate method revealed high accuracy and a low relative error (2.89 %–6.72 %). This innovative approach holds promise for rapid and accurate COD detection, presenting a valuable contribution to environmental monitoring and water quality assessment. [ABSTRACT FROM AUTHOR]

Background: Traumatic brain injury (TBI) is a significant cause of morbidity and mortality in pediatric patients, leading to long-term physical, cognitive, and psychological impairments. Blood lactate and fibrinogen levels have emerged as potential biomarkers associated with tissue hypoperfusion and coagulation dysfunction, respectively. However, limited research has specifically focused on the significance of these biomarkers in pediatric TBI. This study aimed to investigate the clinical significance of blood lactate and fibrinogen levels upon admission in pediatric patients with traumatic brain injury. Methods: The medical records of 80 children with a traumatic brain injury who were admitted from January 2017 to January 2021 were retrospectively analyzed. The two groups were compared according to whether the blood lactate in the admission arterial blood gas increased and the fibrinogen content in the coagulation function decreased. The clinical data of the children in the two groups were different, and then they were divided into a good prognosis group and a poor prognosis group according to the GOS prognostic score, and the differences in the clinical indicators of the two groups were compared. Results: Among the 80 patients, 33 had elevated blood lactate levels, 34 had decreased fibrinogen levels, and 29 had an unfavorable outcome (GOS < 4). Compared to the normal blood lactate group, there were no statistically significant differences in age, sex ratio, or platelet count in the elevated blood lactate group (P > 0.05). However, the elevated blood lactate group had lower Glasgow Coma Scale (GCS) scores upon admission, higher blood lactate levels, lower fibrinogen levels, longer hospital stay, lower GOS scores, and a higher proportion of GOS < 4 (P < 0.05). Compared to the normal fibrinogen group, there were no statistically significant differences in age, sex ratio, or platelet count in the decreased fibrinogen group (P > 0.05). However, the decreased fibrinogen group had lower GCS scores upon admission, higher blood lactate levels, lower fibrinogen levels, longer hospital stays, lower GOS scores, and a higher proportion of GOS < 4 (P < 0.05). Compared to the favorable outcome group, there were no statistically significant differences in age, sex ratio, or platelet count in the unfavorable outcome group (P > 0.05). However, the unfavorable outcome group had lower GCS scores upon admission, higher blood lactate levels, lower fibrinogen levels, longer hospital stays, a higher incidence of pulmonary infection, a higher incidence of stress ulcers, and lower GOS scores (P < 0.05). Conclusion: The levels of blood lactate and fibrinogen may represent the severity of children with traumatic brain injury and may be risk factors for poor prognosis of children with traumatic brain injury. [ABSTRACT FROM AUTHOR]

Mechanoluminescent materials, which are capable of converting some ignored mechanical stimuli like friction, pressure, and distortion into useful photons, are gathering increasing attention nowadays, especially considering that a new round of energy crisis is sweeping across the globe. However, the wavelength of mechanoluminescence (ML) reported so far overlaps seriously with the solar spectrum, limiting the practical applications of mechanoluminescent materials to some extent. Here, we report the ultraviolet-C (UVC) ML from NaYF4:Pr3+ with the central wavelength at ∼250 nm, which is one of the shortest wavelengths for ML and is ascribed to the 1S0 → 3F4 transition of Pr3+. After being charged by x rays, NaYF4:Pr3+ is able to emit ML under the stimulation of external stress. The presence of UVC ML has been confirmed by both a spectrometer and a solar-blind camera. We confirm that the UVC ML belongs to the trap-controlled ML via thermoluminescence and related trap-filling-emptying measurements. With the aid of the density functional theory, we discuss the possible mechanism of the UVC ML from NaYF4:Pr3+. [ABSTRACT FROM AUTHOR]

Shale gas exploration has achieved global success in marine shales. This study analysed geochemical, mineralogical, porosity, permeability and gas‐bearing parameters of organic‐rich shales in the Permian Wujiaping Formation in the Sichuan Basin. A comprehensive comparison was conducted with the Longtan Formation transitional shales and typical commercially developed marine shales. The results showed that: (1) siliceous shale within the Wujiaping Formation exhibits total organic carbon content ranging from 0.60% to 9.53% (average 4.45%) and vitrinite reflectance (Ro) ranging from 1.83% to 2.14% (average 1.98%), indicating an overmature stage of hydrocarbon generation. Porosity varies from 0.48% to 11.8% (average 4.94%), with an average content of 51.4% brittle minerals (quartz+calcite+dolomite) and calculating gas content exceeding 3 m3/t based on logging data. Effective sealing is achieved by the overlying carbonate of the Changxing Formation and the underlying carbonate of the Maokou Formation. (2) The primary storage space of the siliceous shale in the Wujiaping Formation encompasses diverse organic matter pores, clay mineral pores and microfractures. The porosity and permeability of the Wujiaping Formation marine shale ranges from 0.48% to 11.8% and 0.0053 to 0.8450 mD. Total gas content was estimated between 3 to 12 m3/t averaging 6 m3/t. (3) By comparing Permian Wujiaping Formation shales with Longtan Formation transitional shales, Wufeng Formation‐Longmaxi Formation shales and the typical North American marine gas shales (such as Barnett, Ohio, Antrim, New Albany, etc.), we conclude that marine siliceous shales within the Wujiaping Formation exhibit enrichment conditions comparable to established marine shales and superior to Permian transitional shales. The favourable upper and lower seals of the Wujiaping Formation resemble those of the Barnett shale gas reservoirs. In conclusion, the marine shale in Wujiaping Formation holds potential for substantial shale gas reservoirs and is poised for strategic exploration and development breakthroughs in the northeast and east Sichuan Basin. [ABSTRACT FROM AUTHOR]

With the development of information networks, the entities from different network domains interact with each other more and more frequently. Therefore, identity management and authentication are essential in cross-domain setting. The traditional Public Key Infrastructure (PKI) architecture has some problems, including single point of failure, inefficient certificate revocation status management and also lack of privacy protection, which cannot meet the demand of cross-domain identity authentication. Blockchain is suitable for multi-participant collaboration in multi-trust domain scenarios. In this paper, a cross-domain certificate management scheme CD-BCM based on the consortium blockchain is proposed. For the issue of Certificate Authority's single point of failure, we design a multi-signature algorithm. In addition, we propose a unified structure for batch certificates verification and conversion, which improve the efficiency of erroneous certificate identification. Finally, by comparing with current related schemes, our scheme achieves good functionality and scalability in the scenario of cross-domain certificate management. [ABSTRACT FROM AUTHOR]

In this research, we assessed mortality after major bleeding events in atrial fibrillation (AF) patients taking four direct oral anticoagulants (DOACs). Drawing data from the Taiwan National Health Insurance Research Database between 2016 and 2019, we focused on AF patients on DOACs who had major bleeding episodes. Using propensity score stabilized weighting, we established four comparable pseudo-DOAC groups. Among 2770 patients (460 dabigatran, 1322 rivaroxaban, 548 apixaban, 440 edoxaban), 85.3% were prescribed low-dose regimens. The 7-day mortality rate was 9.0%, surging to 16.0% by the 30th day. Compared with dabigatran, there was a distinct divergence in 7-day mortality of factor Xa inhibitors (p = 0.012), with hazard ratios of 1.83 (95% CI 1.11–3.00, p = 0.017) for rivaroxaban, 2.13 (95% CI 1.23–3.66, p = 0.007) for apixaban, and 2.41 (95% CI 1.39–4.19, p = 0.002) for edoxaban. This pattern remained consistent when analyzing the subgroup that received lower dosages of DOACs. In conclusion, factor Xa inhibitors were associated with a significantly higher risk of 7-day mortality following major bleeding events than dabigatran among AF patients. [ABSTRACT FROM AUTHOR]

Photocatalytic water splitting, a process aimed at hydrogen production, is considered a pivotal clean energy sources to achieve environmental friendliness and high energy efficiency in the future. The crux of achieving this objective lies in the design of stable and efficient catalysts. Herein, we proposed a novel type-II band alignment GaSe/YAlS 3 van der Waals heterostructure with robust stability for photocatalytic water splitting. The intrinsic electric field of YAlS 3 monolayer can break the requirement of band gap (>1.23 eV) in traditional photocatalytic water splitting theory and significantly enhancing the utilization of solar energy. Encouragingly, compared to individual monolayers GaSe or YAlS 3 , the optical absorption coefficients of the GaSe/YAlS 3 heterostructure are significantly improved and the corrected solar-to-hydrogen (STH) efficiency is improved by 406% and 132%, respectively, reaching an impressive 29.73% efficiency. Furthermore, the heterostructure demonstrates exceptional overall water splitting performance across a broad pH range and maintains a consistently high STH efficiency (25.41%∼34.71%) under a wide range biaxial strain (−6%–5%). In addition, the designed GaSe/YAlS 3 heterostructure showcases enhanced absorption of visible as well as partial absorption of infrared light for photocatalytic water splitting. These compelling findings unequivocally establish GaSe/YAlS 3 heterostructure as an excellent and promising candidate for photocatalytic water splitting. [Display omitted] • The GaSe/YAlS 3 heterostructure is a stable type-II van der Waals semiconductor with large intrinsic electric field. • The GaSe/YAlS 3 heterostructure has a high STH efficiency of 29.73% and can be further enhanced by biaxial tensile strain. • The optical absorption intensity of GaSe/YAlS 3 heterostructure has greatly enhanced in infrared and visible light range. • The GaSe/YAlS 3 heterostructure is a promising water-splitting photocatalyst. [ABSTRACT FROM AUTHOR]

Existing works in the optimization of five-axis machining mainly focus on the efficiency, precision, or dynamic performance of the machine tools, while the performance of other equipment which assists the machining process has not been considered. This paper takes the robot assisted supporting machining of thin-walled blades as the research objective and proposes an axial-sensitivity-reduction based five-axis toolpath re-scheduling method for facilitating the collaborative support machining with a machine-tool and a robot. The input of the method is lenient, merely including the original toolpath and the workpiece point-cloud model. The output of the method is the re-scheduled toolpath which requires lower motion ability of the assisted support equipment. This is realized by the following approaches. First, an axial sensitivity concept is defined, which quantificationally reflects the influence extent of the machine-tool axis motion on the assisted supporter motion, thus the most sensitive axis which affects the assisted process maximally can be identified. Then, an optimal-partition dual-domain-assisted-fitting method is provided to reconstruct the parameterized geometrical model of blades according to the point-cloud model, thus the multi-value property of the blades which troubles the surface construction is solved. After that, a sensitive-axis-calming bidirectional-tangent-bug-searching method is proposed to re-schedule the toolpath of five-axis machining, thus reducing the sensitivity of the most-sensitive axis. The whole method is universal, because a general cutter model is used and the cutter-contact point keeps invariant after re-scheduling. The correctness and effectiveness of the proposed method are verified by illustration machining tests of a steam turbine blade using an AB-type five-axis machine tool. [ABSTRACT FROM AUTHOR]

Zinc batteries hold promise for grid‐scale energy storage due to their safety and low cost. A key challenge for the field is identifying cathode materials that can undergo reversible redox reactions at the extreme potentials required for realizing high energy density devices. While organic materials have been extensively explored as cathode materials due to their structural tunability and eco‐friendliness, most reported zinc‐organic batteries exhibit a voltage lower than 1.2 V. In this report, by employing rational molecular design and synthesis, computational analysis, and electrochemical evaluation, the well‐studied neutral p‐type N‐centered is redesigned, triphenylamine organic cathode by replacing three phenyl rings with the smallest aromatic system – cationic cyclopropenium. This results in a novel class of cathode materials with simultaneously enhanced potential, capacity, and stability. The resultant full battery exhibits a high discharge voltage of 1.7 V and an outstanding capacity retention of 95% after 10000 cycles at a discharge capacity of 157.5 mAh g−1cation (103.9 mAh g−1salt). [ABSTRACT FROM AUTHOR]

This study reports the synthesis and structural characterization of a series of novel acetamide-derived compounds containing a methylsulfonyl unit. The in vitro antibacterial activity results demonstrated that compound 2-((4-fluorophenyl)sulfonyl)-N-(4-(methylsulfonyl)phenyl)acetamide (6b) exhibited superior antibacterial activities against Xanthomonas oryzae pv. oryzicolaby (Xoc), Xanthomonas oryzae pv. oryzae (Xoo), and Xanthomonas axonopodis pv. citri (Xac) at 100 μg/mL concentration, with the inhibition rates of 86.24%, 81.59%, and 75.65%, respectively, compared to Bismerthiazol and Thiodiazole copper. Meanwhile, the in vitro antifungal activities of all target compounds were found to be lower against Mucor fragilis (M. fragilis), Mucor bainieri (M. bainieri), and Trichoderma atroviride (T. atroviride) at 50 μg/mL concentration, with the inhibition rates of 0–45.21%, 0–30.24%, and 0–12.65%, respectively, compared to Carbendazim. Moreover, bioassay results of the target compounds against prostate cancer (PC3), hepatocellular carcinoma (HepG2), and leukemia (K562) cells at 10 μM concentration demonstrated that, compared to 5-fluorouracil, compound 2-((4-fluorophenyl)thio)-N-(4-(methylsulfonyl)phenyl)acetamide (4c) illustrated obvious antitumor activity (56.87%) against K562. This work first highlights the effect of the modification of the acetamide-derived compounds bearing a methylsulfonyl unit on the bioactivity evaluation. [ABSTRACT FROM AUTHOR]

The meta-analysis aimed to evaluate the efficacy of mandibular advancement device (MAD) for the treatment of obstructive sleep apnea (OSA) and explore the effect of different positions on MAD for OSA. The Embase, PubMed, Medline, and Cochrane Library databases were searched for relevant studies evaluating the effect of MAD on the treatment of OSA from database inception to November 2022. The Bayesian random-effects mode was used to calculate the pooled outcome. Subgroup analysis and sensitivity analysis were applied to investigate the heterogeneity. A total of 6 studies enrolling 643 patients were eligible for further analysis. MAD treatment led to improvements in total apnea-hypopnea index (AHI) for both positional OSA(POSA) and Non-POSA groups, but there was no significant difference in the effect of MAD on Non-POSA and POSA (MD = −1.46,95%CI [-4.89,1.97], P = 0.40). In the supine position, AHI improvement after MAD treatment in POSA group was more than that in Non-POSA group by 15 events/hour in average (MD = 14.82, 95%CI [11.43,18.22], P＜0.00001), while in the non-supine position, the change of AHI in Non-POSA group was significantly better than that in POSA group by approximately 8 events/hour (MD = −7.55,95%CI[-10.73,-4.38],p < 0.00001). MAD is more suitable for POSA compared to Non-POSA in patients with habitual sleep in the supine or supine predominant position. While for patients with habitual sleep in the non-supine position, MAD is an effective treatment option for Non-POSA. • MAD treatment led to improvements in total AHI for both POSA and Non-POSA patients. • MAD is more suitable for POSA in patients with habitual sleep in the supine or supine predominant position. • For patients with habitual sleep in the non-supine position, MAD is an effective treatment option for Non-POSA. [ABSTRACT FROM AUTHOR]

It is of great importance to obtain the exact location and severity of slagging deposits on the waterwall surface of an operational boiler to avoid aimless soot-blowing and reduce steam consumption. In this paper, an effective waterwall surface temperature monitoring method is proposed to determine the slagging locations. It has been noted that the temperature difference of the waterwall surface before and after soot-blowing varied with the waterwall location, with more than 80 °C covered with slag and less than 20 °C found clean. According to this, a slagging temperature index was developed to describe the severity of slagging deposits on the waterwall surface. Results indicated that the process of slagging deposit growth included four stages, with the slagging temperature fluctuating in the range of about 90–110 °C in stage III, followed by a rapid drop below 60 °C in stage IV. Furthermore, a digital image monitoring system was used to validate the slag growth process and study the relationship between deposit thickness growth and area expansion. This novel approach provides automated and accurate guidance for each soot blower around the furnace, which reduces soot-blowing steam consumption and avoids serious slagging on the waterwall surface. [ABSTRACT FROM AUTHOR]

Transient γ-radiation and laser-simulated experiments were carried out to investigate the transient dose rate effect (TDRE) in SiGe heterojunction bipolar transistors (HBTs) for the first time. The results indicate that IBM43RF0100 SiGe HBTs experience a significant sensitivity of TDRE. For the laser-simulated experiment, the duration of transient current and charge collection are matched well with that of transient γ-radiation. The amplitude of transient photocurrent induced by the lower energy order of μJ approaches the transient photocurrent induced by transient γ-radiation. It is demonstrated that laser-simulated experiments are a candidate and a convenient method to evaluate the TDRE response of SiGe HBTs, which avoids serious electromagnetic interference in the transient γ-radiation environment. [ABSTRACT FROM AUTHOR]

Nowadays, an increasing number of people use social networks to receive up-to-date information and express their personal opinions, and popular social networks have become important platforms to conduct viral-marketing for many companies. However, due to the existences of negative opinions and hostile relationships, some spreading behaviors will receive much more undesired responses. To study this process of competitive diffusion, we consider heterogeneous opinions (positive and negative ones) and heterogeneous relationships (friendly and hostile ones), and assume the reaction of a user after receiving a message is determined by the received message type, his/her own opinion and the type of relationship between him/her and the neighbor who sends this message. We then modify the duplicate forwarding model to characterize the diffusion dynamics in competitive diffusion, and define the term positive (negative) user influence which is the mean number of positive (negative) messages received by users after a user generates a message. These user influences and the corresponding diffusion threshold can be analyzed theoretically, which are verified by simulations. We then study the impacts of different factors on user influences on some real networks, and observe that messages of some type are easier to be forwarded and received in a given network if the message spreading intensity approaches the diffusion threshold and users of this type have a larger average homophily factor. These findings can help to explain why a large number of boycotts may be attracted if a user or company publishes a post or advertisement in a social network, and we believe this analysis framework will be of use for advertisers to conduct viral-marketing. [ABSTRACT FROM AUTHOR]

Vanadium‐based intercalation materials have attracted considerable attention for aqueous zinc‐ion batteries (ZIBs). However, the sluggish interlaminar diffusion of zinc ions due to the strong electrostatic interaction, severely restricts their practical application. Herein, oxygen vacancy‐enriched V2O5 structures (Zn0.125V2O5·0.95H2O nanoflowers, Ov‐ZVO) with expanded interlamellar space and excellent structural stability are prepared for superior ZIBs. In situ electron paramagnetic resonance (EPR) and X‐ray diffraction (XRD) characterization revealed that numerous oxygen vacancies are generated at a relatively low reaction temperature because of partially escaped lattice water. In situ spectroscopy and density functional theory (DFT) calculations unraveled that the existence of oxygen vacancies lowered Zn2+ diffusion barriers in Ov‐ZVO and weakened the interaction between Zn and O atoms, thus contributing to excellent electrochemical performance. The Zn||Ov‐ZVO battery displayed a remarkable capacity of 402 mAh g−1 at 0.1 A g−1 and impressive energy output of 193 Wh kg−1 at 2673 W kg−1. As a proof of concept, the Zn||Ov‐ZVO pouch cell can reach a high capacity of 350 mAh g−1 at 0.5 A g−1, demonstrating its enormous potential for practical application. This study provides fundamental insights into formation of oxygen‐vacant nanostructures and generated oxygen vacancies improving electrochemical performance, directing new pathways toward defect‐functionalized advanced materials. [ABSTRACT FROM AUTHOR]

The period between the Han and Tang dynasties was a crucial time in the development of the Daoist cosmic concept. During that time, Daoist believers needed to place important deities properly in the newly created heavenly realm. Faced with placing the great deity Lord Lao in a specific place, different Daoist believers made various attempts with some complex adjustments, which eventually reached the consensus during the Tang Dynasty at the latest that "Lord Lao lives in Great Clarity Heaven". The investigation of this adjustment process would present multiple possibilities in the development of the Daoist cosmic concept. [ABSTRACT FROM AUTHOR]

A class of ortho‐phenyl‐substituted Ni (II) α‐diimine complexes with variable electronic nature in the 4‐phenyl position, {[(4‐Me‐2‐(4‐R‐C6H4)C6H3N=C)2Naphth]NiBr2, R = OMe (C1); R = Me (C2); R = H (C3)}, was prepared and characterized. These nickel dibromide complexes were confirmed by X‐ray crystallography analysis and crystallized as a centrosymmetric bromine‐bridged dimer in a distorted tetrahedral geometry at the two Ni (II) centers connected by a four‐membered ring. Because of the conjugation effect and steric hindrance effect of ortho‐phenyl substituent, these Ni‐Et2AlCl systems via controlled chain‐walking ethylene polymerization performed with high catalytic activities of up to 3.10 × 106 g PE (mol Ni h)−1 to yield high molecular weight branched PEs with narrow Mw/Mn values (PDI ≤ 2.39). This Ni (II) system also conducted the chain‐walking polymerization of 1‐octene, resulting in highly branched polyolefins (up to 107 branches/1000C). [ABSTRACT FROM AUTHOR]

Purpose: This study aims to identify the novel risk predictors of low medication adherence of cirrhosis patients in a large cohort and construct an applicable predictive model to provide clinicians with a simple and precise personalized prediction tool.Patients and Methods: Patients with cirrhosis were recruited from the inpatient populations at the Department of Infectious Diseases of Tangdu Hospital. Patients who did not meet the inclusion criteria were excluded. The primary outcome was medication adherence, which was analyzed by the medication possession ratio (MPR). Potential predictive factors, including demographics, the severity of cirrhosis, knowledge of disease and medical treatment, social support, self-care agency and pill burdens, were collected by questionnaires. Predictive factors were selected by univariable and multivariable logistic regression analysis. Then, a nomogram was constructed. The decision curve analysis (DCA), clinical application curve analysis, ROC curve analysis, Brier score and mean squared error (MSE) score were utilized to assess the performance of the model. In addition, the bootstrapping method was used for internal validation.Results: Among the enrolled patients (460), most had good or moderate (344, 74.78%) medical adherence. The main risk factors for non-adherence include young age (≤ 50 years), low education level, low income, short duration of disease (< 10 years), low Child-Plush class, poor knowledge of disease and medical treatment, poor social support, low self-care agency and high pill burden. The nomogram comprised these factors showed good calibration and good discrimination (AUC = 0.938, 95% CI = 0.918– 0.956; Brier score = 0.14). In addition, the MSE value was 0.03, indicating no overfitting.Conclusion: This study identified predictive factors regarding low medication adherence among patients with cirrhosis, and a predictive nomogram was constructed. This model could help clinicians identify patients with a high risk of low medication adherence and intervention measures can be taken in time. [ABSTRACT FROM AUTHOR]

The flexible job-shop scheduling problem (FJSP) is common in high-mix industries such as semiconductor manufacturing. An FJSP is initiated when an operation can be executed on a machine assigned from a set of alternative machines. Thus, an FJSP consists of the machine assignment and job sequencing sub-problems, which can be resolved using a pair of problem-dependent machine assignment rules (MARs) and job sequencing rules (JSRs). Selecting an MAR–JSR pair that performs efficiently is a challenge. This study proposes a simulated-annealing-based hyper-heuristic (SA-HH) for assembling an heuristic scheme (HS) consisting of MAR–JSR pairs with a set of problem state features. Two variants of SA-HH, i.e. SA-HH based on HS with problem state features (SA-HH PSF ) and without problem state features (SA-HH NO − PSF ), are investigated. In terms of the best makespan, SA-HH PSF outperforms or is comparable with over 75% of benchmark algorithms on 8 out of 10 instances in the Brandimarte dataset. [ABSTRACT FROM AUTHOR]

Carbamoyl phosphate synthetase 1 (CPS1) is the most abundant hepatocyte mitochondrial matrix protein. Hypoosmotic stress increases CPS1 release in isolated mouse hepatocytes without cell death. We hypothesized that increased CPS1 release during hypoosmosis is selective and associates with altered mitochondrial morphology. Both ex vivo and in vivo models were assessed. Mouse hepatocytes and livers were challenged with isotonic or hypoosmotic (35 mosM) buffer. Mice were injected intraperitoneally with water (10% body weight) with or without an antidiuretic. Mitochondrial and cytosolic fractions were isolated using differential centrifugation, then analyzed by immunoblotting to assess subcellular redistribution of four mitochondrial proteins: CPS1, ornithine transcarbamylase (OTC), pyrroline-5-carboxylate reductase 1 (PYCR1), and cytochrome c. Mitochondrial morphology alterations were examined using electron microscopy. Hypoosmotic treatment of whole livers or hepatocytes led to preferential or increased mitochondrial release, respectively, of CPS1 as compared with two mitochondrial matrix proteins (OTC/PYCR1) and with the intermembrane space protein, cytochrome c. Mitochondrial apoptosis-induced channel opening using staurosporine in hepatocytes led to preferential CPS1 and cytochrome c release. The CPS1-selective changes were accompanied by dramatic alterations in ultrastructural mitochondrial morphology. In mice, hypoosmosis/hyponatremia led to increased liver vascular congestion and increased CPS1 in bile but not blood, coupled with mitochondrial structural alterations. In contrast, isotonic increase of intravascular volume led to a decrease in mitochondrial size with limited change in bile CPS1 compared with hypoosmotic conditions and absence of the hypoosmosis-associated histological alterations. Taken together, hepatocyte CPS1 is selectively released in response to hypoosmosis/hyponatremia and provides a unique biomarker of mitochondrial injury. NEW & NOTEWORTHY Exposure of isolated mouse livers, primary cultured hepatocytes, or mice to hypoosmosis/hyponatremia conditions induces significant mitochondrial shape alterations accompanied by preferential release of the mitochondrial matrix protein CPS1, a urea cycle enzyme. In contrast, the intermembrane space protein, cytochrome c, and two other matrix proteins, including the urea cycle enzyme ornithine transcarbamylase, remain preferentially retained in mitochondria. Therefore, hepatocyte CPS1 manifests unique mitochondrial stress response compartmentalization and is a sensitive sensor of mitochondrial hypoosmotic/hyponatremic injury. [ABSTRACT FROM AUTHOR]

Here, a redox-neutral palladium-catalyzed photo-induced radical cascade domino Heck reaction of N-aryl acrylamide with vinyl arenes is described. A diverse range of bioactive oxindoles, featuring an all-carbon quaternary center, were synthesized. The reaction is proposed to proceed via an open-shell intermediate and occurs under mild reaction conditions, exhibiting excellent functional group tolerance. Importantly, the synthesized products can be readily transformed into biologically active molecules, including (±)-physostigmine and (±)-physovenine. [ABSTRACT FROM AUTHOR]

The carcinogenicity of aristolochic acids (AAs) has been attributed mainly to the formation of stable DNA-aristolactam (DNA-AL) adducts by its reactive N -sulfonated metabolite N-sulfonatooxyaristolactam (N–OSO 3 --AL). The most accepted mechanism for such DNA-AL adduct formation is via the postulated but never unequivocally-confirmed aristolactam nitrenium ion. Here we found that both sulfate radical and two ALI-derived radicals (N-centered and C-centered spin isomers) were produced by N–OSO 3 --ALI, which were detected and unequivocally identified by complementary applications of ESR spin-trapping, HPLC-MS coupled with deuterium-exchange methods. Both the formation of the three radical species and DNA-ALI adducts can be significantly inhibited (up to 90%) by several well-known antioxidants, typical radical scavengers, and spin-trapping agents. Taken together, we propose that N–OSO 3 --ALI decomposes mainly via a new N–O bond homolysis rather than the previously proposed heterolysis pathway, yielding reactive sulfate and ALI-derived radicals, which are together and in concert responsible for forming DNA-ALI adducts. This study presents strong and direct evidence for the production of free radical intermediates during N–OSO 3 --ALI decomposition, providing an unprecedented free radical perspective and conceptual breakthrough, which can better explain and understand the molecular mechanism for the formation of DNA-AA adducts, the carcinogenicity of AAs and their potential prevention. [Display omitted] • First direct ESR evidence of aristolochic acid-related aristolactam radical. • Identification of two isomers of aristolactam radical by ESR and HPLC-MS. • First evidence for sulfate radical formation under physiological conditions. • Synergistic free radical mechanism for forming DNA-aristolactam adducts. • First radical mechanism for DNA damage & carcinogenicity by aristolochic acid. [ABSTRACT FROM AUTHOR]

Increased temperature and acidification are two important environmental factors affecting algal growth in marine ecosystems with the increase of atmospheric CO2. The dinoflagellate Amphidinium carterae and the diatom Phaeodactylum tricornutum were chosen to study the effect of warming and acidification on their sulfate assimilation and reduction processes by continuous incubation at different temperatures (15, 20 and 25 °C) and pHNBS values (8.10, 7.80 and 7.60). Variations in associated sulfur compounds, namely sulfate, dimethylsulfoniopropionate (DMSP), dimethylsulfide (DMS) and acrylic acid (AA) were observed. The largest sulfate uptake was at 25 °C for A. carterae and at 20 °C for P. tricornutum, however, the optimal growth temperature for both microalgae was 20 °C. The release of DMSP and DMS decreased in A. carterae while they increased in P. tricornutum under the condition of increased temperature. Seawater acidification increased the uptake of sulfate and promoted the growth of the microalgae. Acidification also reduced the release of DMSP, dissolved DMSP (DMSPd), DMS and AA from A. carterae with mean values of 55%, 22%, 9% and 40%, respectively. However, acidification increased the release of DMSP and DMSPd by P. tricornutum with mean values of 44% and 186%, the release of DMS was inhibited (25%) and with no significant difference in the release of AA (2%). Amino acids were found to inhibit the uptake of sulfate by the two microalgae, and the inhibitory effect of cysteine was found to be stronger than that of methionine. The inhibitory effect of amino acids was temperature sensitive and relatively weak at 20 °C. Besides, acidification could enhance the inhibitory effect and was evident in A. carterae. The sulfur metabolism intermediates (cysteine and methionine) have a feedback regulation effect on the sulfate absorption process of algae. [ABSTRACT FROM AUTHOR]

Background and Objective: The purpose of our study was to explore the immediate and long-term effects of socially assistive robots (SARs) on neuropsychiatric symptoms (NPSs), behavioral and psychological symptoms of dementia (BPSD), positive emotional experiences, and social interaction in older people living with dementia. Methods: We set keywords and used Boolean operators to search the CINAHL, Cochrane Library, EMBASE, IEEE Digital Library, MEDLINE, PsycINFO, PubMed, Web of Science, Scopus, and Chinese Electronic Periodical Service from inception to February 2022 for randomized controlled trials. The Cochrane Collaboration bias assessment tool was used to assess article quality, and RevMan 5.4.1 software was used to conduct the meta-analysis. Results: A total of 14 studies were included in the meta-analysis. SARs can help people living with dementia reduce their NPS of depression and anxiety, provide happiness from positive emotional experiences, and improve their social interaction through conversation. However, there was no significant improvement in agitation behavior, overall BPSD, or quality of life in people living with dementia. In follow-up, it was found that the effect of SRT was limited. Conclusion: SARs can reduce depression and increase positive emotions in people living with dementia. They may also reduce the burden on healthcare workers during the COVID-19 pandemic. This research was registered on PROSPERO CRD42020169340. [ABSTRACT FROM AUTHOR]

Microstructure distribution in polyolefin resins is one of the key factors governing the macroscopic properties of the products. The chain microstructure of two transparent poly(propylene-co-1-butene) (PPB) resins is investigated in this study through temperature rising elution fractionation in the temperature range of 35 − 140 °C. Both resins contain small amount of room temperature soluble component, i.e. less than 3.80 wt% fractions eluted at 35 − 50 °C, implying that the two resins could be used as food containers or food packaging films safely with very low migration of soluble contents. The two resins exhibit remarkable differences in composition distributions as 41.24 wt% of resin PPB-1 was collected at 100 °C, whereas 58.24 wt% of resin PPB-2 was collected at 83 °C. The composition and sequence distribution in each fraction were analyzed by 13C NMR spectroscopy. All the fractions are random propylene/1-butene copolymers containing 1-butene concentration in the range of 2.7 − 7.6 mol% for resin PPB-1 and 2.2 − 8.5 mol% for resin PPB-2. Individual 1-butene unit is mainly inserted into the polypropylene main chains since the average sequence length of 1-butene (nB) is really short (1.0 − 1.3). Resin PPB-1 has more fractions with high molecular weight and isotacticity collected above 105 °C than resin PPB-2, which contributes to a better stiffness of resin PPB-1. Besides, the difference in haze for the films produced from resins PPB-1 and PPB-2 is also demonstrated based on the chain microstructure results. It is found that resin PPB-2 has higher MFR and longer propylene sequences than resin PPB-1, resulting in a higher haze. [ABSTRACT FROM AUTHOR]

We first reported the vanM vancomycin resistance gene in enterococci in Shanghai, China in 2006 and later found it to be the predominant van gene in vancomycin‐resistant enterococci (VRE). In this study, we successively collected 1292 Enterococcus faecium and Enterococcus faecalis strains from in‐ and outpatients at Huashan Hospital, Fudan University and found that nearly all of the isolates (1290/1292) were vancomycin‐sensitive determined by the VITEK 2 system. However, using a modified macromethod‐based disk diffusion test, 10 E. faecium isolates that were previously determined to be vancomycin‐sensitive by the VITEK 2 system were found to have colonies in the vancomycin disk inhibition zone. Pulse‐field gel electrophoresis results showed that each randomly selected colony in the inhibition zone belonged to the same clone as the original strain. All 10 isolates were later found to be vanM‐positive. The disk diffusion‐based method may aid in the detection of vanM‐positive E. faecium with low vancomycin minimum inhibitory concentrations and prevent missing the detection of vancomycin sensitivity‐variable enterococci. [ABSTRACT FROM AUTHOR]

Climate change mitigation scenarios generated by integrated assessment models have been extensively used to support climate change negotiations on the global stage. To date, most studies exploring ensembles of these scenarios focus on the global picture, with more limited attention to regional metrics. A systematic approach is still lacking to improve the understanding of regional heterogeneity, highlighting key regional decarbonisation measures and their relative importance for meeting global climate goals under deep uncertainty. This study proposes a novel approach to gaining robust insights into regional decarbonisation strategies using machine learning techniques based on the IPCC SR1.5 scenario database. Random forest analysis first reveals crucial metrics to limit global temperature increases. Logistic regression modelling and the patient rule induction method are then used to identify which of these metrics and their combinations are most influential in meeting climate goals below 2 °C or below 1.5 °C. Solar power and sectoral electrification across all regions have been found to be the most effective measures to limit temperature increases. To further limit increase below 1.5 °C and not only 2 °C, decommissioning of unabated gas plants should be prioritised along with energy efficiency improvements. Bioenergy and wind power show higher regional heterogeneity in limiting temperature increases, with lower influences than aforementioned measures, and are especially relevant in Latin America (bioenergy) and countries of the Organisation for Economic Co-operation and Development and the Former Soviet Union (bioenergy and wind). In the future, a larger scenario ensemble can be applied to reveal more robust and comprehensive insights. [ABSTRACT FROM AUTHOR]

Silicon carbide (SiC) has been considered one of the most important wide bandgap semiconductors for both scientific interest and technological applications. The existence of stacking faults induced inclusions, originated from the "wrong" stacking sequences of Si–C bilayers, is a general feature in SiC. Until now, however, a systematical understanding of the role of cubic inclusions (CIs) in the electronic and doping properties of hexagonal SiC is still lacking, which may prevent further improvement of its electronic performance. In this article, using advanced first-principles calculations, we have systematically studied the stability, electronic structures, and doping properties of hexagonal SiC with CIs. First, we find that the CIs in SiC have rather low formation energies but high kinetic stability. Second, we find that the electronic structures of SiC can be dramatically tuned by the ratio of CIs in SiC. Third, we demonstrate that the CI-induced band offset and the dipole-discontinuity-induced dipole field in the system can give rise to different ground-state doping sites for dopants at their different charge-states, which can consequently result in novel doping-site-dependent charge-state transition levels (CTLs). Meanwhile, the intrinsic dipole field can dramatically enhance the structural relaxation effects during the ionization of the dopants, which can push the CTLs deeper inside the bandgap compared to the case without CIs. Our findings suggest that CIs could play unusual roles in determining the overall electronic and doping properties of SiC and other similar semiconductors. [ABSTRACT FROM AUTHOR]

Electrolyte environments, including cations, anions, and solvents are critical for the performance delivery of cathodes of batteries. Most works focused on interactions between cations and cathode materials, in contrast, there is a lack of in‐depth research on the correlation between anions and cathodes. Here, we systematically investigated how anions manipulate the coulombic efficiency (CE) of cathodes of zinc batteries. We take intercalation‐type V2O5 and conversion‐type I2 cathodes as typical cases for profound studies. It was found that electronic properties of anions, including charge density and its distribution, can tune conversion or intercalation reactions, leading to significant CE differences. Using operando visual Raman microscopy and theoretical simulations, we confirm that competitive coordination between anions and I− can regulate CEs by modulating polyiodide diffusion rates in Zn−I2 cells. In Zn−V2O5 cells, anion‐tuned solvation structures vastly affect CEs through varying Zn2+ intercalation kinetics. Conversion I2 cathode achieves a 99 % CE with highly electron‐donating anions, while anions with preferable charge structures that interact strongly with Zn2+ afford an intercalation V2O5 a nearly 100 % CE. Understanding the mechanism of anion‐governed CEs will help us evaluate compatibility of electrolytes with electrodes, thus providing a guideline for anion selection and electrolyte design for high‐energy, long‐cycling zinc batteries. [ABSTRACT FROM AUTHOR]

Electrolyte environments, including cations, anions, and solvents are critical for the performance delivery of cathodes of batteries. Most works focused on interactions between cations and cathode materials, in contrast, there is a lack of in‐depth research on the correlation between anions and cathodes. Here, we systematically investigated how anions manipulate the coulombic efficiency (CE) of cathodes of zinc batteries. We take intercalation‐type V2O5 and conversion‐type I2 cathodes as typical cases for profound studies. It was found that electronic properties of anions, including charge density and its distribution, can tune conversion or intercalation reactions, leading to significant CE differences. Using operando visual Raman microscopy and theoretical simulations, we confirm that competitive coordination between anions and I− can regulate CEs by modulating polyiodide diffusion rates in Zn−I2 cells. In Zn−V2O5 cells, anion‐tuned solvation structures vastly affect CEs through varying Zn2+ intercalation kinetics. Conversion I2 cathode achieves a 99 % CE with highly electron‐donating anions, while anions with preferable charge structures that interact strongly with Zn2+ afford an intercalation V2O5 a nearly 100 % CE. Understanding the mechanism of anion‐governed CEs will help us evaluate compatibility of electrolytes with electrodes, thus providing a guideline for anion selection and electrolyte design for high‐energy, long‐cycling zinc batteries. [ABSTRACT FROM AUTHOR]

This article is an examination of how investors in the corporate bond market in emerging economies react to patents. To empirically explore this question, we constructed a sample of 1862 Chinese corporate bonds issued between 2004 and 2020 and gathered data on Chinese domestic patents, reverse innovation patents, and the validity of patents. The empirical results suggest that domestic patents are the primary source of information for bond investors in China when evaluating corporate innovation and that investors can successfully discern between patents that are valid and those that are not. At the same time, the positive relationship between corporate innovation and bond prices is found to be negatively moderated by credit ratings and state ownership. [ABSTRACT FROM AUTHOR]

Pogostemon cablin (Blanco) Benth (PCB), a medicinal and edible homologous Chinese herb, has a protective effect on the structure and function of intestine. In this study, we aimed to investigate the effect of PCB granule (PCBG) on the improvement of irinotecan-induced intestinal mucositis and the regulation of intestinal microorganisms in mice. Our results demonstrated that PCBG supplementation significantly improved diarrhea symptoms caused by irinotecan, as evidenced by inhibiting weight loss, reversing intestinal atrophy, protecting against splenomegaly and balancing oxidative stress. Furthermore, compared with the model group, PCBG restored the intestinal morphology and improved intestinal barrier dysfunction by promoting the expression of tight junction proteins and mucin. Moreover, high-throughput sequencing analysis revealed that PCBG improved the flora disorder caused by irinotecan and regulated microbial community structure, such as decreasing the relative abundance of Bacteroides as well as increasing the relative abundance of Lactobacillus. Meanwhile, the disordered microbial functions in intestinal mucositis mice were recovered more closely to the controls by PCBG. Finally, we found that a robust correlation between the specific microbiota and intestinal mucositis-related index. In summary, these findings revealed the beneficial effects of PCBG on the intestinal barrier and gut microbiota of irinotecan-induced intestinal mucositis, which may be one of the potential strategies to reduce the clinical side effects of irinotecan. [ABSTRACT FROM AUTHOR]

To evaluate the efficacy and safety of acupuncture in the treatment of endometriosis-associated pain. A multicenter, randomized, single-blind, placebo-controlled trial. Four tertiary hospitals in Jiangxi and Hainan Provinces. Women with endometriosis-associated pain aged between 20 and 40 years. Subjects were assigned randomly to receive either acupuncture or sham acupuncture treatment for 12 weeks, starting one week before each expected menstruation and administered as a 30-minute session once per day, 3 times a week. During the menstruation period, acupuncture was administered daily when pelvic pain associated with endometriosis occurred. After acupuncture or sham acupuncture treatment, the subjects were followed for another 12 weeks. Changes in maximum pain as assessed with the visual analog scale (VAS) for various pelvic pain, duration of dysmenorrhea, and scores on the Multidimensional Pain Inventory, Beck Depression Inventory, Profile of Mood States, and Endometriosis Health Profile from baseline to week 12 and week 24. A total of 106 women were assigned randomly to the acupuncture and sham groups. In the acupuncture group, the reduction in the dysmenorrhea VAS score was significantly greater after treatment, but not at the end of the trial, compared to the sham group. The duration of pain was significantly shorter in the acupuncture group. All test scores were improved to a significantly greater extent in the acupuncture group than in the sham group at week 12 but not at week 24. Changes in nonmenstrual pelvic pain and dyspareunia VAS scores were not different between the groups. No severe adverse events or differences in adverse events were recorded. Acupuncture is an effective and safe method of relieving dysmenorrhea, shortening the pain duration, and improving wellbeing and quality of life in women with endometriosis-associated pain, although its efficacy fades after treatment is discontinued. NCT03125304. [ABSTRACT FROM AUTHOR]

Objectives To elucidate the role of a novel carbapenem-hydrolysing class D β-lactamase (RAD-1) from Riemerella anatipestifer. Methods We applied WGS and bioinformatic analysis to screen putative β-lactamase genes in R. anatipestifer SCVM0004. A putative class D β-lactamase gene was cloned into pET24a and transferred into Escherichia coli BL21 (DE3) for antibiotic susceptibility determination and protein purification. Meanwhile, the purified native protein was used to determine the enzymatic activities. Results A class D β-lactamase, RAD-1, was identified in the genome of R. anatipestifer SCVM0004. It was distinct from all characterized class D β-lactamases (≤42% amino acid sequence identity). Searching in GenBank showed that bla RAD-1 was widely disseminated among R. anatipestifer. Genomic environment analysis indicated that the chromosomal structures of bla RAD-1-located regions were relatively conserved. Expression of RAD-1 in E. coli results in elevated MICs for various β-lactam antibiotics, including penicillins, extended-spectrum cephalosporins, a monobactam and carbapenems. Moreover, kinetic analysis of purified RAD-1 revealed: (i) high-level activity against penicillins; (ii) highest affinity for carbapenems; (iii) moderate hydrolysis of extended-spectrum cephalosporins and a monobactam; and (iv) no activity for oxacillin and cefoxitin. Conclusions This study identified a novel chromosomally located class D carbapenemase RAD-1 (Bush–Jacoby functional group 2def) in R. anatipestifer SCVM0004. Moreover, bioinformatic analysis confirmed that the RAD-1 was widely prevalent and conserved in R. anatipestifer. [ABSTRACT FROM AUTHOR]

As a wide bandgap semiconductor, SiC holds great importance for high temperature and high power devices. It is known that the intrinsic defects play key roles in determining the overall electronic properties of semiconductors; however, a comprehensive understanding of the intrinsic defect properties in the prototype 4H-SiC is still lacking. In this study, we have systematically investigated the electronic properties and kinetic behaviors of intrinsic point defects and defect complexes in 4H-SiC using advanced hybrid functional calculations. Our results show that all the point defects in 4H-SiC have relatively high formation energies, i.e., low defect concentrations even at high growth temperatures. Interestingly, it is found that the migration barriers are very high for vacancies (>3 eV) but relatively low for interstitial defects (∼1 eV) in SiC. Meanwhile, the diffusion energy barriers of defects strongly depend on their charge states due to the charge-state-dependent local environments. Furthermore, we find that VSi in SiC, a key defect for quantum spin manipulation, is unstable compared to the spin-unpolarized VC–CSi complex in terms of the total energy (under p-type conditions). Fortunately, the transformation barrier from VSi to VC–CSi is as high as 4 eV, which indicates that VSi could be stable at room (or not very high) temperature. [ABSTRACT FROM AUTHOR]

Various physiological and pathological changes are related to the occurrence and development of neurodegenerative diseases. Neuroinflammation is a major trigger and exacerbation of neurodegenerative diseases. One of the main symptoms of neuritis is the activation of microglia. Thus, to alleviate the occurrence of neuroinflammatory diseases, an important method is to inhibit the abnormal activation of microglia. This research evaluated the inhibitory effect of trans-ferulic acid (TJZ-1) and methyl ferulate (TJZ-2), isolated from Zanthoxylum armatum, on neuroinflammation, by establishing the human HMC3 microglial cell neuroinflammation model induced by lipopolysaccharide (LPS). The results showed both compounds significantly inhibited the production and expression of nitric oxide (NO), tumor necrosis factor-α (TNF-α), and interleukin-1β (IL-1β) contents, and increased the level of anti-inflammatory factor β-endorphin (β-EP). Furthermore, TJZ-1 and TJZ-2 can inhibit LPS-induced activation of nuclear factor kappa B (NF-κB). It was found that of two ferulic acid derivatives, both had anti-neuroinflammatory effects by inhibiting the NF-κB signaling pathway and regulating the release of inflammatory mediators, such as NO, TNF-α, IL-1β, and β-EP. This is the first report that demonstrates that TJZ-1 and TJZ-2 had inhibitory effects on LPS-induced neuroinflammation in human HMC3 microglial cells, which indicates that two ferulic acid derivates from Z. armatum could be used as potential anti-neuroinflammatory agents. [ABSTRACT FROM AUTHOR]

Background: Radiotherapy (RT) combined with chemotherapy is the standard treatment for T1-2N1M0 nasopharyngeal carcinoma (NPC) based on conventional radiotherapy. However, intensity-modulated radiotherapy (IMRT) has narrowed the treatment gap between RT and chemoradiotherapy. Thus, this retrospective study aimed to compare the efficacy of RT and chemoradiotherapy (RT-chemo) in treating T1-2N1M0 NPC in the IMRT era. Materials and methods: From January 2008 to December 2016, 343 consecutive patients with T1-2N1M0 NPC in two cancer centers were included. All patients received RT or RT-chemo, chemotherapy including induction chemotherapy (IC) + concurrent chemoradiotherapy (CCRT), CCRT, or CCRT + adjuvant chemotherapy (AC). The number of patients who received RT, CCRT, IC + CCRT, and CCRT + AC was 114, 101, 89, and 39. The survival rates were analyzed using the Kaplan-Meier method and compared using the log-rank test. Multivariable analysis was performed to identify valuable prognostic factors. Results: The median follow-up time for survivors was 93 (range: 55–144) months. The 5-year overall survival (OS), progression-free survival (PFS), locoregional failure-free survival (LRFFS), and distant metastasis-free survival (DMFS) for the RT-chemo and RT groups were 93.7%, 88.5%, 93.8%, 93.8% and 93.0%, 87.7%, 91.9%, 91.2%, respectively (P>0.05 for all outcomes). No significant survival differences were found between the two groups. The T1N1M0 or T2N1M0 subgroup analysis showed that treatment outcomes had no significant differences between the RT and RT-chemo groups. After adjusting for various factors, treatment mode was not identified as an independent prognostic factor for all survival rates. Conclusions: In this study, outcomes of T1-2N1M0 NPC patients treated by IMRT alone were comparable to chemoradiotherapy, supporting the omission or postponement of chemotherapy. [ABSTRACT FROM AUTHOR]

Local over-temperature is one of the main reasons for boiler tube failures (BTF). By accurately monitoring and controlling tube wall temperature, local over-temperature can be avoided. Based on the measured flue gas parameters and numerical simulation, a method of thermal deviation calculation is proposed in this study for the on-line calculation of the tube wall temperature of boiler superheaters. The full-size three-dimensional numerical simulation was presented on the combustion in a pulverized coal-fired boiler of 1000 MW ultra-supercritical (USC) unit. A difference in the thermal deviation of the vertical direction was innovatively introduced into a segmented discrete model, and the thermal deviation condition conforming to reality was introduced into the calculation. An on-line calculation system developed based on the current calculation method was applied in a 1000 MW USC unit. The calculated local high-temperature zone was consistent with the actual over-temperature position and conformed to the law of the allowable metal temperature of the final superheater (FSH) serpentines segment. The comparison results showed that the calculated data by this method were more reflective of tube wall temperature change with boiler loads than the measured data. According to the calculated local over-temperature zone, the immediate warning response can effectively reduce the possibility of over-temperature BTF. [ABSTRACT FROM AUTHOR]

Long-term temperature reconstructions are urgently needed to prolong meteorological climatic data, which are too short to evaluate the anthropogenic effect on climate change since the Industrial Revolution. The maximum latewood chronology (MXD) of Picea schrenkiana in the middle of the southern Tien Shan was established, and it showed a strong correlation with the mean maximum temperature of the current July to August (TmaxJA), with r = 0.773 (p < 0.001, 1959–2016), which implies that a high temperature in the late growing season could increase the cell wall thickness and lead to high latewood density. Then, the TmaxJA of the middle of the southern Tien Shan was reconstructed over the period of 1720–2018. Three MXD chronologies from Kyrgyzstan significantly correlated with our TmaxJA reconstruction at the interannual scale, and they also showed similar variations on decadal scales. None of these MXD series showed a warming trend in the past century, which was also found in several MXD series from different regions of the world. Spatial correlation analysis revealed that our TmaxJA reconstruction showed significant correlations with that in eastern Asia, southern Europe, and north-western Africa, forming a teleconnection called the Silk Road Pattern. However, moving correlation analysis between our TmaxJA reconstruction and Hokkaido temperature series indicated that this teleconnection was unstable in the past 3 centuries. The volcanic eruptions from the mid-high latitudes in the Northern Hemisphere showed a stronger cooling effect than those from the Southern Hemisphere and the low latitudes of the Northern Hemisphere. The summer North Atlantic Oscillation was also shown to affect the temperature in the Tien Shan to a certain extent. [ABSTRACT FROM AUTHOR]

Sodium‐ion batteries (SIBs) have inspired the potential for widespread use in energy storage owing to the advantages of abundant resources and low cost. Benefiting from the layered structure, 2D‐layered materials enable fast interlayer transport of sodium ions and thus are considered promising candidates as anodes for SIBs. Herein, a strategy of adjusting crystal orientation is proposed via a solvothermal method to improve sodium‐ion transport at the edge of the interlayers in 2D‐layered materials. By introducing surfactants and templates, the 2D‐layered V5S8 nanosheets are controlled to align the interlayer diffusion channels vertically to the surface, which promotes the fast transport of Na+ at the edge of the interlayers as revealed by experimental methods and ab initio calculations. Benefiting from the aligned crystal orientation and rGO coating, the vertical‐V5S8@rGO hybrid delivers a high initial discharge capacity of 350.6 mAh g−1 at a high current density of 15 A g−1. This work provides a strategy for the structural design of 2D‐layered anode materials by adjusting crystal orientation, which demonstrates the promise for applications in fast‐charging alkaline‐ion batteries. [ABSTRACT FROM AUTHOR]

Bat coronavirus RaTG13 shares about 96.2% nucleotide sequence identity with that of SARS-CoV-2 and uses human and Rhinolophus affinis (Ra) angiotensin-converting enzyme 2 (ACE2) as entry receptors. Whether there are bat species other than R. affinis susceptible to RaTG13 infection remains elusive. Here, we show that, among 18 different bat ACE2s tested, only RaACE2 is highly susceptible to transduction by RaTG13 S pseudovirions, indicating that the bat species harboring RaTG13 might be very limited. RaACE2 has seven polymorphic variants, RA-01 to RA-07, and they show different susceptibilities to RaTG13 S transduction. Sequence and mutagenesis analyses reveal that residues 34, 38, and 83 in RaACE2 might play critical roles in interaction with the RaTG13 S protein. Of note, RaACE2 polymorphisms have minimal effect on S proteins of SARS-CoV-2 and several SARS-CoV-2 related CoVs (SC2r-CoV) including BANAL-20-52 and BANAL-20-236 in terms of binding, membrane fusion, and pseudovirus entry. Further mutagenesis analyses identify residues 501 and 505 in S proteins critical for the recognition of different RaACE2 variants and pangolin ACE2 (pACE2), indicating that RaTG13 might have not been well adapted to R. affinis bats. While single D501N and H505Y changes in RaTG13 S protein significantly enhance the infectivity and minimize the difference in susceptibility among different RaACE2 variants, an N501D substitution in SARS-CoV-2 S protein displays marked disparity in transduction efficiencies among RaACE2 variants with a significant reduction in infectivity on several RaACE2 variants. Finally, a T372A substitution in RaTG13 S protein not only significantly increases infectivity on all RaACE2 variants, but it also markedly enhances entry on several bat ACE2s including R. sinicus YN, R. pearsonii, and R. ferrumeiqunum. However, the T372A mutant is about 4-fold more sensitive to neutralizing sera from mice immunized with BANAL-20-52 S, suggesting that the better immune evasion ability of T372 over A372 might contribute to the natural selective advantage of T372 over A372 among bat CoVs. Together, our study aids a better understanding of coronavirus entry, vaccine design, and evolution. Author summary: Bat CoV RaTG13 has zoonotic transmission potential, and interactions between S protein and ACE2 play essential roles. RaTG13 uses RaACE2 as an entry receptor, and there are at least seven polymorphic RaACE2 variants. The effect of RaACE2 polymorphism on entry of RaTG13 and other SARS-CoV-2 related bat CoV (SC2r-CoV) has not been determined. In this study, we find that RaTG13 S pseudovirions only highly efficiently transduce cells expressing RaACE2 among available 18 bat species commonly habituating in Southwestern China and Southeastern Asia, suggesting that there might be limited bat species including R. affinis susceptible to infection of RaTG13 virus. The RaACE2 polymorphism has a marked effect on the entry of RaTG13, whereas it shows a minimal effect on the entry of SARS-CoV-2 and SC2r-CoVs like BANAL-20-52, BANAL-20-236, and pangolin-CoV GD. Further sequence and mutagenesis analyses identify residues 34, 38, and 83 in RaACE2 and residues 501 and 505 in the S proteins critical for S protein and receptor interactions, indicating that RaTG13 might have not been well adapted to R. affinis bats. We also find that T372A substitution in RaTG13 S significantly enhances entry on all RaACE2 variants and several bat ACE2s, and immune evasion might contribute to the natural selection of T372 over A372 in bat S proteins. Altogether, our work provides detailed analyses of the effect of RaACE2 polymorphism on the entry of RaTG13 and other SC2r-CoVs and a better understanding of the entry and evolution of CoVs. [ABSTRACT FROM AUTHOR]

Oil-water separation materials with excellent chemical stability are urgently needed in the treatment of oily wastewater. In this work, in order to effectively separate various oily-water emulsions in complex environments such as acid, alkali and salt, with stainless steel mesh (SSM) as the base, copper sulfide (Cu2S) was modified on the surface of stainless steel mesh by electrochemical deposition and solution reaction to successfully prepare Cu2S@SSM composite membrane. The prepared Cu2S@SSM composite membrane exhibited excellent superhydrophilic/underwater superhydrophobic properties. A series of oil-in-water emulsion, including surfactant-free and surfactant-stabilized of-in-water emulsions, separation experiments were conducted. The permeation fluxes as high as 932 and 361 L/(m² ⋅ h) and the separation efficiency as high as 99.78% and 99.15% were obtained, respectively. Thanks to the photo-Fenton catalytic performance of Cu2S, the degradation rate of Cu2S @SSM composite film to methylene blue and rhodamine B is up to 99% under visible tight irradiation. More importantly, the Cu2S@SSM composite membrane shows excellent chemical stability in strong acid, strong alkali and high salt environments. [ABSTRACT FROM AUTHOR]

Cryptochromes are blue light receptors that mediate circadian rhythm and magnetic sensing in various organisms. A typical cryptochrome consists of a conserved photolyase homology region domain and a varying carboxyl-terminal extension across species. The structure of the flexible carboxyl-terminal extension and how carboxyl-terminal extension participates in cryptochrome's signaling function remain mostly unknown. In this study, we uncover the potential missing link between carboxyl-terminal extension conformational changes and downstream signaling functions. Specifically, we discover that the blue-light induced opening of carboxyl-terminal extension in C. reinhardtii animal-like cryptochrome can structurally facilitate its interaction with Rhythm Of Chloroplast 15, a circadian-clock-related protein. Our finding is made possible by two technical advances. Using single-molecule Förster resonance energy transfer technique, we directly observe the displacement of carboxyl-terminal extension by about 15 Å upon blue light excitation. Combining structure prediction and solution X-ray scattering methods, we propose plausible structures of full-length cryptochrome under dark and lit conditions. The structures provide molecular basis for light active conformational changes of cryptochrome and downstream regulatory functions. Refined structures, protein-docking analysis and single molecule assays provides insights into light-induced conformational changes in the cryptochrome CraCRY. [ABSTRACT FROM AUTHOR]

Salmonella enterica subsp. enterica (S. enterica) is a significant public health concern and is estimated to cause more than 300,000 deaths annually. Nowadays, the vaccines available for human Salmonellosis prevention are all targeting just one serovar, i.e., S. Typhi, leaving a huge potential risk of Salmonella disease epidemiology change. In this study, we explored the strategy of multiple immunodominant O-epitopes co-expression in S. enterica serovars and evaluated their immunogenicity to induce cross-immune responses and cross-protections against S. Paratyphi A, S. Typhimurium and S. Enteritidis. We found that nucleotide sugar precursors CDP-Abe and CDP-Par (or CDP-Tyv) could be utilized by S. enterica serovars simultaneously, exhibiting O2&O4 (or O4&O9) double immunodominant O-serotypes without obvious growth defects. More importantly, a triple immunodominant O2&O4&O9 O-serotypes could be achieved in S. Typhimurium by improving the substrate pool of CDP-Par, glycosyltransferase WbaV and flippase Wzx via a dual-plasmid overexpressing system. Through immunization in a murine model, we found that double or triple O-serotypes live attenuated vaccine candidates could induce significantly higher heterologous serovar-specific antibodies than their wild-type parent strain. Meanwhile, the bacterial agglutination, serum bactericidal assays and protection efficacy experiments had all shown that these elicited serum antibodies are cross-reactive and cross-protective. Our work highlights the potential of developing a new type of live attenuated Salmonella vaccines against S. Paratyphi A, S. Typhimurium and S. Enteritidis simultaneously. Author summary: Currently, vaccines available for human Salmonellosis prevention are mostly against one serovar, i.e., S. Typhi, leaving a significant risk of Salmonella disease epidemiology change. Consequently, more efforts are needed to develop vaccine candidates against other medically important but somehow less concerned S. enterica serovars, such as S. Paratyphi A, S. Typhimurium and S. Enteritidis. Evidence reveals that S. Paratyphi A is taking the place of S. Typhi as the leading cause of "enteric fever" in South Asia, and S. Typhimurium and S. Enteritidis are the leading causing of "Invasive Non-typhoidal Salmonella disease" in sub-Saharan Africa. One of the solutions is to increase the cross-immunogenicity and cross-protections of potential S. enterica vaccine candidates. Salmonella outer membrane O-antigen polysaccharide is a well-known protective antigen, and its diverse structure is serotype specific. More precisely, S. Paratyphi A, S. Typhimurium and S. Enteritidis are characterized by O2, O4 and O9 O-serotypes. In this study, we aimed to combine the immunodominant O2, O4 and O9 O-epitopes into one S. enterica serovar and evaluated its cross-immune responses in a murine model. Our results indicated that the rational design of O-antigen structure in live attenuated Salmonella vaccines is a promising strategy to induce effective cross-protections against S. Paratyphi A, S. Typhimurium and S. Enteritidis. [ABSTRACT FROM AUTHOR]

In this study, 18 novel thiochroman-4-one derivatives incorporating oxime ether and 1,3,4-oxadiazole thioether moieties were synthesized and their structures analyzed by 1H NMR, 13C NMR, and HRMS. Their in vitro antibacterial activities against Xanthomonas oryzae pv. oryzae (Xoo) and Xanthomonas axonopodis pv. citri (Xac) as well as antifungal activities against Botrytis cinerea (B. cinerea), Verticillium dahliae (V. dahliae), and Fusarium oxysporum (F. oxysporum) were determined. Bioassay results showed that compound 6-chloro-2-(5-(methylthio)-1,3,4-oxadiazol-2-yl)thiochroman-4-one O-methyl oxime (7a) was found to be the most active against Xoo and Xac, with the median effective concentration values (EC50) of 17 and 28 μg/mL, respectively, which were even better than those of Bismerthiazol and Thiodiazole copper. Meanwhile, compound 2-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-6-methylthiochroman-4-one O-methyl oxime (7j) showed better in vitro antifungal activity against B. cinerea, with the inhibition rate of 79%, than that of Carbendazim. As far as we know, this paper is the first report on the synthesis and antibacterial and antifungal activities of this series of novel thiochroman-4-one derivatives incorporating oxime ether and 1,3,4-oxadiazole thioether moieties. [ABSTRACT FROM AUTHOR]