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Background: Liver hepatocellular carcinoma (LIHC) is a prevalent form of primary liver cancer. Research has demonstrated the contribution of tumor stem cells in facilitating tumor recurrence, metastasis, and treatment resistance. Despite this, there remains a lack of established cancer stem cells (CSCs)-associated genes signatures for effectively predicting the prognosis and guiding the treatment strategies for patients diagnosed with LIHC. Methods: The single-cell RNA sequencing (scRNA-seq) and bulk RNA transcriptome data were obtained based on public datasets and computerized firstly using CytoTRACE package and One Class Linear Regression (OCLR) algorithm to evaluate stemness level, respectively. Then, we explored the association of stemness indicators (CytoTRACE score and stemness index, mRNAsi) with survival outcomes and clinical characteristics by combining clinical information and survival analyses. Subsequently, weighted co-expression network analysis (WGCNA) and Cox were applied to assess mRNAsi-related genes in bulk LIHC data and construct a prognostic model for LIHC patients. Single-sample gene-set enrichment analysis (ssGSEA), Cell-type Identification By Estimating Relative Subsets Of RNA Transcripts (CIBERSORT) and Tumor Immune Estimation Resource (TIMER) analysis were employed for immune infiltration assessment. Finally, the potential immunotherapeutic response was predicted by the Tumor Immune Dysfunction and Exclusion (TIDE), and the tumor mutation burden (TMB). Additionally, pRRophetic package was applied to evaluate the sensitivity of high and low-risk groups to common chemotherapeutic drugs. Results: A total of four genes (including STIP1, H2AFZ, BRIX1, and TUBB) associated with stemness score (CytoTRACE score and mRNAsi) were identified and constructed a risk model that could predict prognosis in LIHC patients. It was observed that high stemness cells occurred predominantly in the late stages of LIHC and that poor overall survival in LIHC patients was also associated with high mRNAsi scores. In addition, pathway analysis confirmed the biological uniqueness of the two risk groups. Personalized treatment predictions suggest that patients with a low risk benefited more from immunotherapy, while those with a high risk group may be conducive to chemotherapeutic drugs. Conclusion: The current study developed a novel prognostic risk signature with genes related to CSCs, which provides novel ideas for the diagnosis, prognosis and treatment of LIHC. [ABSTRACT FROM AUTHOR]

Sulfilimines, the aza‐variants of sulfoxides, are key structural motifs in natural products, pharmaceuticals, and agrochemicals; and sulfilimine synthesis is therefore important in organic chemistry. However, methods for radical sulfilimination remain elusive, and as a result, the structural diversity of currently available sulfilimines is limited. Herein, we report the first protocol for decarboxylative radical sulfilimination reactions between sulfenamides and N‐hydroxyphthalimide esters of primary, secondary, and tertiary alkyl carboxylic acids, which were achieved via a combination of photoredox, copper, and Brønsted base catalysis. This novel protocol provided a wide variety of sulfilimines, in addition to serving as an efficient route for the synthesis of S‐alkyl/S‐aryl homocysteine sulfilimines and S‐(4‐methylphenyl) homocysteine sulfoximine. Moreover, it could be used for late‐stage introduction of a sulfilimine group into structurally complex molecules, thereby avoiding the need to preserve labile organosulfur moieties through multistep synthetic sequences. A mechanism involving photocatalytic substrate transformation and copper‐mediated C(sp3)−S bond formation is proposed. [ABSTRACT FROM AUTHOR]

Sulfilimines, the aza‐variants of sulfoxides, are key structural motifs in natural products, pharmaceuticals, and agrochemicals; and sulfilimine synthesis is therefore important in organic chemistry. However, methods for radical sulfilimination remain elusive, and as a result, the structural diversity of currently available sulfilimines is limited. Herein, we report the first protocol for decarboxylative radical sulfilimination reactions between sulfenamides and N‐hydroxyphthalimide esters of primary, secondary, and tertiary alkyl carboxylic acids, which were achieved via a combination of photoredox, copper, and Brønsted base catalysis. This novel protocol provided a wide variety of sulfilimines, in addition to serving as an efficient route for the synthesis of S‐alkyl/S‐aryl homocysteine sulfilimines and S‐(4‐methylphenyl) homocysteine sulfoximine. Moreover, it could be used for late‐stage introduction of a sulfilimine group into structurally complex molecules, thereby avoiding the need to preserve labile organosulfur moieties through multistep synthetic sequences. A mechanism involving photocatalytic substrate transformation and copper‐mediated C(sp3)−S bond formation is proposed. [ABSTRACT FROM AUTHOR]

In the fusion environment, a complex stress field is generated in materials, which affects the evolution of radiation defects. In this study, the behaviors of radiation-induced defects under the effect of stress gradient field in tungsten are carefully simulated at the atomic scale with the molecular dynamics (MD) method. It was found that the stress gradient field affects the migration properties of interstitial defects, resulting in the energy barriers changing with the stress and stress gradient. In the axial stress gradient field, the movement of the 1/2 <111> interstitial dislocation loop is significantly accelerated, and it tends to move toward the region where the stress is concentrated. Within the time scale of the classical MD simulation, the stress gradient has little effect on the migration of vacancies. These results suggested that the stress gradient would cause interstitial defects to accumulate to the region where the stress is concentrated, thereby significantly changing the properties of the tungsten materials. [ABSTRACT FROM AUTHOR]

Tungsten (W) and W-based alloys are potential candidates for next-generation fusion reactors, which would withstand both irradiation damages and heavy heat load. In this work, we employed the molecular dynamic method to simulate the behaviors of different radiation defects under the effect of the temperature gradient field, which is induced by heat load. The rotation of the ⟨ 111 ⟩ dumbbell and habit plane of 1/2 ⟨ 111 ⟩ interstitial loops is analyzed in detail. The results show that these two behaviors are not significantly affected by the temperature gradient. Contrary to the thermal equilibrium state, temperature gradient results in the directional diffusion of ⟨ 111 ⟩ dumbbell and 1/2 ⟨ 111 ⟩ interstitial loops in tungsten from the cold to the hot region. The energy barrier is also reduced in the temperature gradient field, which accelerates the defect diffusion. These results indicate that the accumulation of radiation defects in the high-temperature region is expected in temperature gradient fields, which would lead to more severe radiation damages and degradation of materials. [ABSTRACT FROM AUTHOR]

Two colorimetric and fluorescent probes based on ferrocene derivatives have been designed and synthesized. Among studied anions (F−, AcO−, H2PO4−, Cl−, Br− and I−), probe 1 with p‐nitrophenyl hydrazine structure has the strongest binding ability for F−, as well as probe 2 for H2PO4−. It had strong binding ability and was not affected by other anions. The determination limit of 1 toward F− was 5.0×10−6 mol⋅L−1 which can be used for the trace detection of F−. The interacted process of host–guest accompanied by colorimetric changes and increment in fluorescent intensity of the probes. A 1H‐NMR titration experiment and theoretical investigation indicated that −NH in hydrazine participated in the interaction, and the hydrogen‐bonding formed between the probes and anions. These results provided an essential clue to the developing the colorimetric probe based on hydrazine participation. [ABSTRACT FROM AUTHOR]

Overall survival (OS) (A) and OS censored at the time of transplantation (B) of 24 relapsed pediatric B-ALL patients with mean VAF >=20% versus patients with mean VAF < 20% at relapse. Moreover, in 18 patients with remission-relapse pairs, VAF was significantly increased in relapsed patients, indicating delta VAF can be used to evaluate patients for recurrence ( I p i < 0.001) (Figure 2B). (C) Comparison of VAFs at three different relapse stages in 24 relapsed patients, including very early, early and late relapse stage. [Extracted from the article]

This paper proposes a dynamic model for the spot foreign exchange rate which is governed by a standard Brownian motion and a stationary compound Poisson process in the domestic-real world. Using the tool of the Esscher transform, we explore two suitable parameters for the amplitude and the intensity of the jump process and redefine the dynamic process of the spot foreign exchange rate under the domestic risk-neutral measure. Based on the above work, we obtain two types of the quanto option pricing formulas. At last, we utilize the real market data of the stock "Aluminum Corporation of China Limited" and the foreign exchange rate of USD/CNY to obtain the value of the quanto option taken the constant K1 as the strike price in the domestic currency. Furthermore, we investigate the implied volatility of the quanto option. [ABSTRACT FROM AUTHOR]

Almansi-type decomposition theorem for bi-k-regular functions defined in a star-like domain Ω ⊆ ℝn+1 × ℝn+1 centered at the origin with values in the Clifford algebra Cl2n+2,0(ℝ) is proved. As a corollary, Almansi-type decomposition theorem for biharmonic functions of degree k is given. [ABSTRACT FROM AUTHOR]

Despite the challenges posed by drug resistance and side effects, chemotherapy remains a pivotal strategy in cancer treatment. A key issue in this context is macroautophagy (commonly known as autophagy), a dysregulated cell death mechanism often observed during chemotherapy. Autophagy plays a cytoprotective role by maintaining cellular homeostasis and recycling organelles, and emerging evidence points to its significant role in promoting cancer progression. Cisplatin, a DNA-intercalating agent known for inducing cell death and cell cycle arrest, often encounters resistance in chemotherapy treatments. Recent studies have shown that autophagy can contribute to cisplatin resistance or insensitivity in tumor cells through various mechanisms. This resistance can be mediated by protective autophagy, which suppresses apoptosis. Additionally, autophagy-related changes in tumor cell metastasis, particularly the induction of Epithelial-Mesenchymal Transition (EMT), can also lead to cisplatin resistance. Nevertheless, pharmacological strategies targeting the regulation of autophagy and apoptosis offer promising avenues to enhance cisplatin sensitivity in cancer therapy. Notably, numerous non-coding RNAs have been identified as regulators of autophagy in the context of cisplatin chemotherapy. Thus, therapeutic targeting of autophagy or its associated pathways holds potential for restoring cisplatin sensitivity, highlighting an important direction for future clinical research. [Display omitted] • This review highlights the dysregulation of autophagy during cisplatin chemotherapy. • Focusing on the role of autophagy in the regulation of oxidative damage and cell death in drug resistance. • The association of autophagy with apoptosis in cisplatin chemotherapy. • The regulation of autophagy by genomic and epigenetic factors in drug resistance. • The role of pharmacological compounds in control of autophagy-mediated cisplatin resistance. [ABSTRACT FROM AUTHOR]

Abnormal copper ions (Cu2+) and biothiols have potential impacts on environmental pollution and human health, so the detection of these substances with high selectivity and sensitivity has become an important research topic. In this study, we designed and synthesized two fluorescent probes (L 1 and L 2) based on naphthalene and anthracene derivatives that could specifically detect Cu2+ and biothiols. Owing to the paramagnetic effect of Cu2+, the strong fluorescent intensity was quenched after the addition of Cu2+. When biothiols were added to the solution (L-Cu2+), the fluorescence intensity was significantly enhanced and recovered. So, the interaction process was accompanied with "ON-OFF-ON" phenomenon in fluorescent intensity. Two complexes (L-Cu2+) showed low limit of detection for biothiols (Cys was 3.4 ×10−5 M and GSH was 2.0 ×10−5 M) and weak cytotoxicity (< 150 μg/mL). Theoretical investigation analysis revealed that the intramolecular hydrogen bond existed in the structure of probes and the roles of molecular frontier orbitals in molecular interplay. In addition, two probes also showed good applicability in actual drug Atomolan. The GSH content in the tested Atomolan reached over 99.9% of the labeling which was accord with the percentage of pharmacopoeia. Therefore, two probes have the real application value in the detection of Cu2+, biothiols and drug efficacy in various environments. • Fluorescent probes based on naphthalene and anthracene derivatives. • High selectivity and sensitivity for Cu2 + and biothiols. • Low limit of detection for biothiols and weak cytotoxicity. • Good applicability in actual drug Atomolan. [ABSTRACT FROM AUTHOR]

A variety of symmetrical thiosulfonates are synthesized via Cu‐catalyzed reductive homocoupling of aryl sulfonyl chlorides. This protocol uses organic amine acting as a mild reductant and low‐cost copper as an effective catalyst. Such a reductive coupling process features a broad substrate scope and good functional group tolerance. Related thiosulfonate products can also be converted into diverse functional molecules. [ABSTRACT FROM AUTHOR]

The ionosphere research team of Xi'an University of Science and Technology (XUST) has been committing to high-precision global ionospheric modeling research since 2012. The agency adopted spherical harmonic functions to generate GNSS (Global Navigation Satellite System) global ionospheric product XANG and multi-source data fusion global ionospheric product XAMG. In this essay, we take International GNSS Service (IGS) global ionospheric maps (GIMs) products as a reference to verify and analyze the accuracy of GIMs products produced by XUST in detail from three different aspects. The internal and external evaluation results of GNSS dSTEC indicate that the GIMs products of XUST are consistent with the GIMs products of other analysis centers. In contrast to the Jason-2/-3 VTEC, the STD between XANG and Jason-2 during 2016–2018 is about 2.42–3.11 TECU. The STD between XANG and Jason-3 is about 2.40–3.11 TECU, which is equivalent to that of China Academy of Sciences (CAS) and Jet Propulsion Laboratory (JPL), better than that of the Center for Orbit Determination in Europe (CODE), European Space Operations Center of European Space Agency (ESA) and Wuhan University (WHU), and slightly worse than that of Universitat Politècnica de Catalunya/IonSAT (UPC). Besides, we figure out that the accuracy of GIM products in approximately 60% of the ocean areas has been significantly improved after adding space-based data by comparing the two developed global ionospheric products. Finally, we evaluated the product performance of XUST in single-frequency precise point positioning (SF-PPP) with convergence time and positioning accuracy of standard single-frequency PPP as reference. In terms of average convergence time, the ionospheric delay processing capabilities of XANG and XAMG are comparable to other GIMs and even better than ESAG and JPLG in some regions. In terms of positioning accuracy, the positioning accuracy of XANG as an external ionospheric constraint is better than that of XAMG, and both are better than ESAG, JPLG and IGSG, and slightly worse than CASG and CODG. [ABSTRACT FROM AUTHOR]

A novel electrolyte additive, 3, 3, 3‐trifluoropropylmethyldimethoxysilane (TFPMDS), is first proposed to modify both the cathode and the anode of lithium‐ion batteries at the same time. Charging/discharging tests demonstrate that the electrolyte with 1 wt% TFPMDS not only greatly improves the capacity retention of LiNi0.5Mn1.5O4 (LNMO)//Li cell (29.6%→90.8%) and graphite//Li cell (68.1%→98.3%), but also successfully ensures the long‐term cycle stability of LNMO//graphite pouch cell at 4.9 V. Further electrochemical measurements combining with spectroscopic characterization and theoretical calculations indicate that TFPMDS additive displays three principal functions: 1) Be preferentially oxidized to build a robust cathode electrolyte interphase (CEI) enriched in F/Si species with F‐rich nature of strong oxidation‐resistance. 2) Be able to scavenge the hazardous HF, F−, and H+ through its strong binding with these species and thus to protect LNMO at high‐voltage. 3) Be preferentially adsorbed on the graphite surface to form a "framework", and to co‐construct an elastic solid electrolyte interphase (SEI) after the reduction of ethylene carbonate. Importantly, the Si─O group within TFPMDS is especially important for constructing a "molecular bridge" at the CEI/SEI interphase coupling the inorganic and organic species to improve its compatibility, stability, and elasticity. [ABSTRACT FROM AUTHOR]

In order to better monitor the content of Fe3+ and H2S in the biological environment, two new fluorescent probes were designed and synthesized. With the addition of Fe3+, the strong fluorescence emission of two probes was significantly quenched due to the paramagnetic effect of Fe3+. With the further addition of S2−, the fluorescence intensity was quickly restored. Two probes showed high selectivity and strong sensitivity for the detection of Fe3+ and S2−, and the fluorescence intensity "ON-OFF-ON" was accompanied with the interaction process. At the same time, two probes displayed good anti-interference ability which was not interfered by the existence of other ions. In addition, two probes illustrated fast response time to Fe3+, S2− and small cytotoxicity to cells. Therefore, two probes can provide a potential ideal tool for detecting Fe3+ and H2S in organisms and the environment. [ABSTRACT FROM AUTHOR]

Innovation efficiency is an important index to measure the innovation performance of high-tech enterprises. Numerous researches have been conducted on innovation efficiency at national, regional, and sectoral levels, while there are comparatively few studies on the innovation efficiency of high-tech small- and medium-sized enterprises (SMEs) from a micro perspective. Therefore, innovation efficiency of 251 high-tech SMEs listed in China from 2012 to 2015 is measured with the super-SBM model in this paper. The results suggest that the overall innovation efficiency is low but shows an upward trend. In addition, the antecedents of innovation efficiency are explored using the panel regression model and the conclusions are as follows: (1) government subsidies, ownership concentration, and market competition deter enterprise innovation efficiency, and the impact of ownership concentration is found to be the most significant; (2) firm size and asset-liability ratio bear positively on enterprise innovation efficiency, with the effect of asset-liability ratio being greater; (3) firm age has significantly positive effects on scale efficiency but not on innovation efficiency and pure technical efficiency. [ABSTRACT FROM AUTHOR]

Innovation efficiency is an important index to measure the innovation performance of high-tech enterprises. Numerous researches have been conducted on innovation efficiency at national, regional, and sectoral levels, while there are comparatively few studies on the innovation efficiency of high-tech small- and medium-sized enterprises (SMEs) from a micro perspective. Therefore, innovation efficiency of 251 high-tech SMEs listed in China from 2012 to 2015 is measured with the super-SBM model in this paper. The results suggest that the overall innovation efficiency is low but shows an upward trend. In addition, the antecedents of innovation efficiency are explored using the panel regression model and the conclusions are as follows: (1) government subsidies, ownership concentration, and market competition deter enterprise innovation efficiency, and the impact of ownership concentration is found to be the most significant; (2) firm size and asset-liability ratio bear positively on enterprise innovation efficiency, with the effect of asset-liability ratio being greater; (3) firm age has significantly positive effects on scale efficiency but not on innovation efficiency and pure technical efficiency. [ABSTRACT FROM AUTHOR]

Because of their function of catalyzing the rearrangement of the carbon chains, thiolases have attracted increasing attentions over the past decades. The 3-ketoacyl-CoA thiolase (KAT) is a member of the thiolase, which is capable of catalyzing the Claisen condensation reaction between the two acyl-CoAs, thereby achieving carbon chain elongation. In this way, diverse value-added compounds might be synthesized starting from simple small CoA thioesters. However, most KATs are hampered by low stability and poor substrate specificity, which has hindered the development of large-scale biosynthesis. In this review, the common characteristics in the three-dimensional structure of KATs from different sources are summarized. Moreover, structure-guided rational engineering is discussed as a strategy for enhancing the performance of KATs. Finally, we reviewed the metabolic engineering applications of KATs for producing various energy-storage molecules, such as n-butanol, fatty acids, dicarboxylic acids, and polyhydroxyalkanoates. Key points: • Summarize the structural characteristics and catalyzation mechanisms of KATs. • Review on the rational engineering to enhance the performance of KATs. • Discuss the applications of KATs for producing energy-storage molecules. [ABSTRACT FROM AUTHOR]

Summary: This paper proposes a sliding‐mode control (SMC) method to achieve practical cooperative consensus tracking for a network of multiple nonholonomic wheeled mobile robots (MNWMRs) with input disturbances. A novel SMC surface under the nonholonomic constraints is first formulated to characterize the network communication interactions among the networked robots under the framework of polar coordinates. A unified distributed consensus tracking strategy is then proposed by systematically combining a position controller and a direction controller. Furthermore, a simple yet general criterion is derived to achieve the desired practical consensus of trajectory tracking and posture stabilization for MNWMRs. In particular, for a specific common consensus trajectory, the complete asymptotic tracking in heading direction can be fully guaranteed when the perfect asymptotic position‐tracking errors are realized. Accordingly, the developed consensus tracking strategy for MNWMRs demonstrates some advantages of control performance including stability, robustness, and effectiveness over the existing control method proposed for their single‐robot counterparts. Some comparative simulation results are given to confirm the effectiveness of the proposed cooperative consensus control method. [ABSTRACT FROM AUTHOR]

EAEC is a common cause of diarrheal illness worldwide. Pathogenesis is believed to occur in the ileum and colon, where the bacteria adhere and form a robust aggregating biofilm. Among the multiple virulence factors produced by EAEC, the Pic serine protease has been implicated in bacterial colonization by virtue of its mucinolytic activity. Hence, a potential role of Pic in mucus barrier disruption during EAEC infection has been long postulated. In this study, we used human colonoids comprising goblet cells and a thick mucin barrier as an intestinal model to investigate Pic's roles during infection with EAEC. We demonstrated the ability of purified Pic, but not a protease defective Pic mutant to degrade MUC2. Western blot and confocal microscopy analysis revealed degradation of the MUC2 layer in colonoids infected with EAEC, but not with its isogenic EAECpic mutant. Wild-type and MUC2-knockdown colonoids infected with EAEC strains exposed a differential biofilm distribution, greater penetration of the mucus layer and increased colonization of the colonic epithelium by Wild-type EAEC than its isogenic Pic mutant. Higher secretion of pro-inflammatory cytokines was seen in colonoids infected with EAEC than EAECpic. Although commensal E. coli expressing Pic degraded MUC2, it did not show improved mucus layer penetration or colonization of the colonic epithelium. Our study demonstrates a role of Pic in MUC2 barrier disruption in the human intestine and shows that colonoids are a reliable system to study the interaction of pathogens with the mucus layer. [ABSTRACT FROM AUTHOR]

Background: IL-12 inhibition of the endothelial cell functions and angiogenesis is mediated by the cross-talk between the lymphocyte and the endothelial cells, which plays a key role in inhibiting the process of angiogenesis in the eyeballs and in malignant tumors. Methods: We established the intracerebral hemorrhage (ICH) rat model, and IL-12 receptor beta monoclonal antibody was injected into the ICH rats. Western blot, immunofluorescence and RT-qPCR were used to detect the gene expression. Brain water content, EB staining, Garcia test, Beam walking test and wire hanging test were used to assess the injury of brain in ICH rats. Results: IL-12 gene was significantly increase in hematoma border tissue of ICH rats, and IL-12 protein mainly localized in monocytes. Anti-IL-12 treatment with IL-12 monoclonal antibodies could not only significantly decrease the brain water content and EB content in brain tissues of ICH rats, but also significantly increase the score of the Garcia, Beam balance and the Wire hanging test in ICH rats. Moreover, anti-IL-12 treatment significantly decrease the expression of pro-inflammatory gene, inflammatory gene, p-JAK2/JAK2 and p-STAT4/STAT4 protein, but significantly increase the expression anti-inflammatory gene and CD31 protein, and M2 macrophage ratio in hematoma border tissues of ICH rats. In vitro, rmIL-12 inhibited the tube formation of brain microvascular endothelial cells (BMVES) in BMVES and bone marrow-derived monocytes (BMDM) co-culture systems, but not work in a separately cultured BMVES system. In addition, Fedratinib not only reduced p-JAK2/JAK2 and p-STAT4/STAT4 protein expression in BMDM after treating with b-FGF and rmIL-12, but also significantly increased the tube formation of BMVES in BMVES and BMDM co-culture systems after treating with b-FGF and rmIL-12. Conclusion: Blockade of IL-12 receptor attenuated brain injury after ICH in rat by promoting angiogenesis, and the mechanism might be related to blocking IL-12 could inhibit M2 cell activation via the JAK2/STAT4 pathway. [ABSTRACT FROM AUTHOR]

In this paper, fifteen indicators from four dimensions are selected to construct an evaluation system for the happiness of land-lost farmers. The factors affecting the happiness of land-lost farmers are analyzed using the rough DEMATEL method. The results show that land expropriation compensation (F6) and job stability (F7) are the driving factors for improving the happiness of land-lost farmers. The government can improve the social environment policies, such as land acquisition, social security, and employment to influence other factors and improve the level of happiness of land-losing farmers. This study has important guiding significance and reference value for the reform of China's land expropriation, the protection of land-lost farmers' rights and interests and the improvement of their happiness, and the maintenance of social harmony and stability. [ABSTRACT FROM AUTHOR]

Based on the method for establishing a global plasmaspheric model using observations from COSMIC and MetOp-A orbit determination GNSS receivers, Chen et al. (2017) obtained a global plasmaspheric total electron content product with a spatial resolution of 2.5° × 5° and a time resolution of 4 h. In this paper, we use those global plasmaspheric electron content product in 2008, 2010, 2011, 2012, 2014 for 1446 days to establish a global plasmaspheric empirical model based on empirical orthogonal function (EOF). The model can well characterize the spatiotemporal variation of plasmaspheric electron content (PEC) and the influence of solar radiation on it. Only the first four orders of EOF sequences can characterize the 98.43% features of the original PEC dataset. The principal component coefficient Pk is decomposed twice during modeling, and the combination of trigonometric function and linear function is used to model Pk to characterize the solar cycle, annual cycle, semi-annual cycle and quarter-cycle variation. We compare the PEC model values with the actual observation data, the results show that the empirical PEC model values are highly correlated with the actual observations. The correlation between the two is above 0.96, and the RMS maximum of the difference between the PEC model values and the observed values are 0.70 TECU, and the average of the difference between the PEC model values and the observed values are −0.18 TECU, respectively. In addition, we validate the reliability of the global plasmaspheric model established by two empirical orthogonal function decomposition method using actual observation data, according to the global distribution of the differences between the PEC model values and the observed values in low solar activity and high solar activity, it can be seen that under low solar activity and high solar activity conditions, the model has good adaptability. [ABSTRACT FROM AUTHOR]

A series of potential chiral compounds containing an α,β-unsaturated ketone was developed for anion detection. The interplay of compounds and biological momentous anions (Cl−, H2PO4−, I−, AcO−, HS−, F−, and Br−) was evaluated by UV-vis experiments, fluorescence experiments, and electrochemical tests. By comparison, compound 1 had the best selectivity and compound 5 had the strongest binding ability among the five compounds. And compound 5 had the highest sensitivity to H2PO4− among the measured anions, and it also can be applied to actual samples, the content of H2PO4− tested in the potassium dihydrogen phosphate fertilizer solution reached above 97.5% of the marked content, and the recovery rates were within the range of 98.5–99.1%, attesting that this method was reliable for the test of H2PO4− in fertilizer. Through HRMS titration, circular dichroism and optical rotation experiments, the probable interacted mechanism was proved that the interaction site was the C=C of the α,β-unsaturated ketone structure. In addition, the interacted mechanism was researched from the perspective of chirality. Furthermore, theoretical investigation analysis was introduced to reveal that the roles of molecular frontier orbitals in molecular interplay were determined. Therefore, this series of potential chiral compounds has potential application prospects in anion recognition. [ABSTRACT FROM AUTHOR]

Tanshinone IIA exhibits natural antioxidative and antineoplastic activity. However, to the best of our knowledge, the effects of tanshinone IIA on human nasopharyngeal carcinoma cells remains unknown. The present study aimed to investigate whether tanshinone IIA inhibits proliferation and induces apoptosis of human nasopharyngeal carcinoma cells via p53-cyclin B1/cell division cycle gene 2 (CDC2). Cell proliferation, cytotoxicity and apoptosis of 13-9B cells were evaluated by an MTT assay, lactate dehydrogenase assay and flow cytometry, respectively. ELISA and western blot analysis were used to analyze caspase-3 activity and poly (ADP-ribose) polymerase (PARP), p53, cyclin B1 and CDC2 protein expression in 13-9B cells. Treatment of 13-9B cells with tanshinone IIA significantly suppressed cell proliferation and significantly induced cytotoxicity and apoptosis of 13-9B cells. Furthermore, tanshinone IIA significantly increased caspase-3 activity, and significantly increased the protein expression levels of PARP, p53, cyclin B1 and CDC2 in 13-9B cells. In summary, the current results indicate that tanshinone IIA inhibits proliferation and induces apoptosis of human nasopharyngeal carcinoma cells via PARP, p53, cyclin B1/CDC2 and caspase-3-mediated signaling. [ABSTRACT FROM AUTHOR]

Both mitogen-activated protein kinase (MAPK) cascades and reactive oxygen species (ROS) are critical to signaling in eukaryotes. Cadmium induces MAPK activation and ROS production in plants. This study aims to identify specific MAPKs activated by CdCl 2 in maize roots, and examine the relationship between MAPK activation and ROS production under CdCl 2 treatment. Using in-gel kinase assays, immunoprecipitation, and immunoblot analysis, we identified 43 and 45 kDa ERK-like MAPKs in response to CdCl 2. Further analysis revealed that ZmMPK3-1 and ZmMPK6-1 correspond to the 43 and 45 kDa MAPKs, respectively. In addition, CdCl 2 induced ROS production prior to the activation of ZmMPK3-1 and ZmMPK6-1. Inhibition of ROS attenuated Cd-activation of ZmMPK3-1 and ZmMPK6-1, whereas inhibition of MAPK signaling did not disturb Cd-induced ROS production. Collectively, these results indicate that, in maize roots, cadmium stress activates ZmMPK3-1 and ZmMPK6-1 via ROS induction. • Cadmium activates 43 and 45 kDa ERK-like MAPKs in maize roots. • ZmMPK3-1 and ZmMPK6-1 correspond to the 43 and 45 kDa MAPKs, respectively. • Cadmium induces ROS production prior to the activation of ZmMPK3-1 and ZmMPK6-1. • Inhibition of ROS attenuates Cd-activation of ZmMPK3-1 and ZmMPK6-1. • Cadmium up-regulates expression of ZmRBOHs , but not ZmMPK3-1 and ZmMPK6-1. [ABSTRACT FROM AUTHOR]

Voltage-dependent anion-selective channel protein 1 (VDAC1) is the most abundant protein in the mitochondrial outer membrane and plays a crucial role in the control of hepatocellular carcinoma (HCC) progress. Our previous research found that cytosolic molecular chaperone heat shock protein 90 (Hsp90) interacted with VDAC1, but the effect of the C-terminal and N-terminal domains of Hsp90 on the formation of VDAC1 oligomers is unclear. In this study, we focused on the effect of the C-terminal domain of Hsp90 on VDAC1 oligomerization, ubiquitination, and VDAC1 channel activity. We found that Hsp90 C-terminal domain inhibitor Novobiocin promoted VDAC1 oligomerization, release of cytochrome c, and activated mitochondrial apoptosis pathway. Atomic coarse particle modeling simulation revealed C-terminal domain of Hsp90α stabilized VDAC1 monomers. The purified VDAC1 was reconstituted into a planar lipid bilayer, and electrophysiology experiments of patch clamp showed that the Hsp90 C-terminal inhibitor Novobiocin increased VDAC1 channel conductance via promoting VDAC1 oligomerization. The mitochondrial ubiquitination proteomics results showed that VDAC1 K274 mono-ubiquitination was significantly decreased upon Novobiocin treatment. Site-directed mutation of VDAC1 (K274R) weakened Hsp90α-VDAC1 interaction and increased VDAC1 oligomerization. Taken together, our results reveal that Hsp90 C-terminal domain inhibition promotes VDAC1 oligomerization and VDAC1 channel conductance by decreasing VDAC1 K274 mono- ubiquitination, which provides a new perspective for mitochondria-targeted therapy of HCC. [Display omitted] [ABSTRACT FROM AUTHOR]

Abstract We propose color polarization multiplexing metalenses composed by two sets of cross nanoholes etched on the silver film. Cross nanoholes are arranged on the concentric rings and they are optimized to be equivalent to half wave plates for two different wavelengths. This design can ensure the effective conversion between the right-handed and left-handed circular polarization and obtain the focusing field with high signal-to-noise ratio. The phase shift of metalens is introduced through the rotation of the cross nanoholes, and the proposed color polarization multiplexing metalens easily realize the wavelength controllable beam focusing by rotating the cross nanoholes along opposite directions. The polarization conversion theory provides the basis for the design of the metalenses. The simulation experiments for monochromatic and color polarization multiplexing metalenses show the performance of the proposed method. Our designed color polarization multiplexing metalenses possess the advantageous of color control, polarization multiplex and high focusing quality, and they are helpful for the applications of metalenses in optical integration and visible light imaging. [ABSTRACT FROM AUTHOR]

This paper addresses the cooperative adaptive consensus tracking for a group of multiple nonholonomic mobile robots, where the nonholonomic robot model is assumed to be a canonical vehicle having two actuated wheels and one passive wheel. By integrating a kinematic controller and a torque controller for the nonholonomic robotic system, a cooperative adaptive consensus tracking strategy is developed for the uncertain dynamic models using Lyapunov-like analysis in combination with backstepping approach and sliding mode technique. A key feature of the developed adaptive consensus tracking algorithm is the introduction of a directed network topology into the control constraints based on algebraic graph theory to characterise the communication interaction among robots, which plays an important role in realising the cooperative consensus tracking with respect to a specific common reference trajectory. Furthermore, a novel framework is proposed for developing a unified methodology for the convergence analysis of the closed-loop control systems, which can fully ensure the desired adaptive consensus tracking for multiple nonholonomic mobile robots. Subsequently, illustrative examples and numerical simulations are provided to demonstrate and visualise the theoretical results. [ABSTRACT FROM AUTHOR]

Abstract Metastructure color displays based on the rectangular hole arrays are proposed. The transmission spectrum of hole array etched on the silver film depends on the length and width of rectangular hole, the period of hole array and the polarization direction of illuminating light. Three primary colors with high purity are obtained through adjusting the parameters of hole array, and the color displaying is realized by using the polarization dependence of the transmission spectrum. Two color displays consisting of three suits of hole arrays are provided and the detected transmission intensity verify their performance in color displaying. The proposed metasurface color displays can be used to separate colors with high fidelity and analyzes the incident polarization, and their ultrathin and compact structures are benefit to expanding its applications in color information processing. [ABSTRACT FROM AUTHOR]

We describe a new and straightforward approach to the formal synthesis of the hepatitis B virus inhibitor entecavir, an important hepatitis B drug, in ten steps overall. Key features of the route are a Morita–Baylis–Hillman reaction, a Sharpless asymmetric epoxidation, a reductive epoxide opening of an α,β-epoxy ketone, and a Riley selenium dioxide oxidation. [ABSTRACT FROM AUTHOR]

Graphical abstract Flow stress of multiple twinned nanocrystalline aluminium decreases with deducing grain size and shows an inverse Hall-Petch relationship. Abstract The mechanical behaviour of rapidly solidified aluminium with multiple twinned nanograins is investigated by a large-scale molecular dynamics simulation. The nanocrystalline structures with mean grain sizes ranging from 3.1 nm to 24.4 nm are prepared by quenching liquid at appropriate cooling rates. It is found that the mechanical properties of rapidly solidified aluminium with multiple twinned nanograins are dependent on its grain size. The flow stress displays inverse Hall-Petch relationship in the present grain-size range. The multiple twinned nanocrystalline aluminium with large and small grain sizes respectively displays different deformation mechanisms during the uniaxial tensile processes. For that with large grain size, the dominated deformation mechanism is twin boundary migration, though co-existing with dislocation activities. And the morphologies of multiple twinned nanograins remain nearly unchanged during the deformation process. For that with small grain size, the deformation is governed by the softening mechanisms of grain growth and detwinning. The grain boundary migration and grain rotation are found in the grain growth process. And the morphologies of multiple twinned nanograins gradually transform into parallel twins or monocrystal. [ABSTRACT FROM AUTHOR]

In the real world, we introduce a dynamic model about the risky asset which is governed by Brownian motion, stationary compound Poisson process and its compensation process. By choosing Esscher transform parameters, we obtain a risk-neural measure Q under which the discounted value of the risky underlying asset is a martingale. Then, we give the pricing formulas of Exchange option by change of numeraire. At last, we analyze the option pricing formula and provide numerical illustrations by introducing BBY stock and SBUX stock. [ABSTRACT FROM AUTHOR]

Various quasi-one-dimensional (1D) structures on Si(111) surface induced by submonolayer La are investigated by scanning tunneling microscopy/spectroscopy (STM/STS) and density-functional theory (DFT) calculations. Three types of reconstructions, 5 × 2, (2  m  + 1) × 6 ( m  > 2, integer) and 2 × 3, in which rows of La adatoms are separated by Si honeycomb chain-channels (HCCs) or Seiwatz chains (SCs), are formed and their stability can be controlled by the La coverage. In 5 × 2 reconstruction, the Si HCCs and SCs are arranged alternatively with La atoms in between, while the 2 × 3 reconstruction consists of SCs only. The (2  m  + 1) × 6 is an intermediate phase, in which each unit cell consists of a single HCC and ( m −1) SCs depending on the La coverage. The weak inter-chain interactions in 5 × 2 and 2 × 3 evidence the 1D character of the reconstructions. STS results and DFT calculations indicate these chains are semiconducting. The thermodynamic evolution of the surface is also investigated, providing important information for the growth of LaSi 2 films on Si during the initial stage. [ABSTRACT FROM AUTHOR]

In this work, we have carried out a series of displacement cascade simulations in tungsten (W), including seven different primary-knock-on atom (PKA) directions, and PKA energy covers 1 to 300 keV at 363 K; 10, 50, 100, and 200 keV cascades are considered at 600 K, and 10 and 50 keV cascades are simulated at 300 K. Then, a systematic database of W cascade simulations has been established, containing more than 2000 cascades. The number of Frenkel pairs, the type of defect, and its spatial distribution were all determined. The effects of PKA direction, PKA energy and temperature have been discussed in terms of defect generation, defect clustering, and dislocation loops. It is found that, the PKA direction may have an effect on the configuration of defects, such as the formation probability of 〈100〉 interstitial loops, C15 clusters and the sub-cascades, and also has an effect on the number of Frankel pairs when PKA energy larger than 50 keV. Furthermore, from 363 K to 600 K, the number of Frankel pairs is reduced by ∼10%, and high temperature can promote the clustering of interstitial. We further found that temperature may affect the distribution of dislocation loops, and the number of 〈100〉 interstitial dislocation loops is more at 363 K than at 600 K. These results can provide a database of key input parameters for the subsequent larger-scale simulations, and give an important reference for the prediction of defect behaviour, mechanical and thermal properties of W-based materials under fusion neutron irradiation. [ABSTRACT FROM AUTHOR]

A series of non-conjugated methylene-anthracene Schiff base derivatives (DNCAs) were designed and synthesized. Photoluminescence emission spectra indicated that DNCA-4 and DNCA-12 showed obviously mechanofluorochromic properties, and distinctive 26- and 37-nm hypochromic shifts were observed, respectively. The experiment results revealed that there is no specific relationship between alkoxy chain lengths and their stimuli-response behavior. The PXRD profiles demonstrated a transformation from crystalline to amorphous state upon grinding. [ABSTRACT FROM AUTHOR]

The interaction of water with the polar surface of NiO(1 1 1) films has been investigated using various in situ surface analytical techniques, as well as ex situ scanning electron microscopy and atomic force microscopy. The {1 0 0} facets are formed on NiO(1 1 1) films upon annealing. The boundary between {1 0 0} facet and bare (1 1 1) face and the corner on the facet can facilitate dissociation of water. The total boundary length and the number of corner sites vary with film thickness. The dissociated hydroxyls are thermally stable up to 700 K on the thinner films. Consequently the activity of water dissociation can be tuned by adjusting the film thickness. [ABSTRACT FROM AUTHOR]

Option pricing plays an important role in modern finance. Interest rate is an important economic indicator and always influenced by some uncertain factors. It is necessary to consider the floating interest rate when we explore the option pricing. This paper introduces a new uncertain stock model with floating interest rate. In this new stock model, the pricing formulas for European, American and Asian options are derived. Furthermore, some numerical examples are given. [ABSTRACT FROM AUTHOR]

The morphologies and sizes of TiN inclusions in gear steel 20CrMnTi have a significant impact on its service performance. This paper selects rare earth Ce to modify TiN inclusions in 20CrMnTi. The inclusions are analyzed by SEM (scanning electron microscope), EBSD (electron back-scattered diffraction), EDS (energy disperse spectroscopy), and OTS statistical software, and Thermo-Calc software is used to calculate the inclusion formations. The inclusions of MgAlO4-Ce and CeAlO3 can be formed when rare earth Ce is added into 20CrMnTi, which becomes TiN nucleation core after precipitation. Without the addition of rare earth Ce, square TiN inclusions ranging from 2 to 5 μm account for 60% of the total inclusions in 20CrMnTi. After adding rare earth Ce, the TiN inclusions in 20CrMnTiCe account for 36.7% of the total inclusions. Due to the new phase formations of MgAlO4-TiN and CeAlO3-TiN with sizes less than 2 μm, the titanium-containing inclusions are refined. Fatigue tests are conducted on the steels before and after the addition of Ce. The average fatigue lives of 20CrMnTi do not reach 107 times, and the deviations between the maximum and minimum fatigue lives are great. Large-sized TiN are the main inclusions that affect the fatigue performance of 20CrMnTi. The average fatigue lives of 20CrMnTiCe exceed 107 times, and the deviations of the fatigue lives are smaller than those of 20CrMnTi. [ABSTRACT FROM AUTHOR]

To investigate the role of polysaccharide from Acanthopanax senticosus (ASPS) on lipopolysaccharide (LPS)-induced intestinal injury, mice in three treatments were administrated orally with or without ASPS (300 mg/kg body weight) for 14 days, followed by challenge with LPS or saline. At 4 h post-injection, blood and intestinal samples of six mice / treatment were collected. The results showed ASPS ameliorated LPS-induced intestinal morphological deterioration, proven by improved villus height ( P < 0.05) and villus height : crypt depth ratio ( P < 0.05). ASPS also elevated the mucosal barrier of LPS-challenged mice, supported by reduced plasma diamine oxidase (DAO) activity ( P < 0.05) and L-lactate ( P < 0.05), increased mucosal DAO activity ( P < 0.05) as well as enhanced intestinal tight junction proteins expression involving occludin-1 ( P < 0.05) and zonula occludens-1 ( P < 0.05). In addition, ASPS decreased LPS-induced secretion of inflammatory mediators, including tumor necrosis factor (TNF)-α ( P < 0.05) and prostaglandin E2 ( P < 0.05). Also, ASPS down-regulated messenger RNA expression of toll-like receptor 4 (TLR4) and its downstream signals, including myeloid differentiation factor 88 ( P < 0.05), TNF-α receptor-associated factor 6 ( P < 0.05), as well as nuclear factor (NF)- κB p65 ( P < 0.05) and its protein expression. These findings suggest that ASPS improves intestinal integrity under inflammation conditions connected with inhibiting TLR4/NF- κB signaling pathways. [ABSTRACT FROM AUTHOR]

In the large-scale clustering resource pool as human-centric cloud computing, peer load balance not only improves overall system efficiency, but also saves energy. As various factors should be considered in resource scheduling and each has different emphasis, resource allocation method adapted by different scene also has respective criteria. Based on resource allocation techniques, the multi-QoS load balance resource allocation method (MQLB-RAM) was proposed in the paper. It combines needs of users and service providers to constitute multi-QoS indexes. The needs from cost, system and network were met by quantitative analysis on load balancing using real-time load of peers. The algorithm also compares weight of each index in peer to match need and resource, so as to achieve the target of ensuring load balance, making full use of resources and saving money. Simulation experiment with CloudSim shows that the MQLB-RAM can achieve balance among load, resource access performance and cost. [ABSTRACT FROM AUTHOR]

Radiative forcing of dust aerosol and the radiative feedbacks on the planetary boundary layer (PBL) in North China during a typical Asian dust storm in the early April of 2011 was investigated by an online coupled meteorology-chemistry-aerosol model WRF-Chem. Dust-induced daily mean radiative forcing (RF) at the ground surface and in the atmosphere were estimated to be −21.1 W m −2 and 12.7 W m −2 , respectively, over Gobi desert, and −13.1 W m −2 and 4.8 W m −2 , respectively, in downwind region over the North China Plain (NCP). Comparatively, radiative perturbation on short-wave radiation was approximately twice that on long-wave radiation in magnitude. In the daytime, when solar radiation dominated, the surface cooling and atmospheric heating due to dust increased PBL stability, leading to reductions of PBL height (PBLH) about 90 m and decreases in wind speed up to 0.4 m s −1 . On the contrary, the radiative forcing in terrestrial radiation caused an opposite response at night, especially in the downwind region. Although dust emission was repressed by weakened wind speed during daytime, the elevated PBLH along with larger deflation at night lifted more dust particles to higher altitude (by up to 75 m in average), which prolonged dust residence time in the atmosphere and further intensified dust loading in downwind areas. Taking dust radiative feedbacks into consideration notably narrowed gaps between model-predicted air temperature vertical profiles with corresponding observations, suggesting a significant importance of dust-radiation interaction in PBL meteorology during dust storms. [ABSTRACT FROM AUTHOR]

Surface hydrophobic modifications of hydrophilic porous polyacrylonitrile (PAN) membranes for vacuum membrane distillation (VMD) desalination via dipping in fluorine-containing solution followed by plasma irradiation were studied. 1H, 1H, 2H, 2H-perfluorodecyl methacrylate (F8) was used as the monomer. The monomer was not vaporized in this work, which might make the modification process more economic and environment friendly. The surface hydrophobicity, morphology and VMD performance of the modified membranes were controlled by degree of grafting (DG), and a moderate DG value of 43.54 μg cm −2 was optimal. Before grafting F8, Ar plasma etching pretreatment of the pristine PAN membrane was also studied, which increased the membrane’s surface pore size, roughness, thus improving the VMD performance and stability of the finally modified membrane (PAN-EM). When a 3.5 wt% NaCl solution was treated by the PAN-EM membrane at 80 °C under vacuum degree of 95.2 kPa, a flux of 59.42 kg m −2 h −1 and a salt rejection of 99.93% were achieved. Moreover, the PAN-EM membrane showed a stable desalination performance during an 80 h intermittent VMD operation, indicating that the strategy consisting of etching, dipping and grafting developed in this study was very promising to fabricate porous and hydrophobic membranes with great application prospect for VMD desalination. [ABSTRACT FROM AUTHOR]

Background: It is difficult to experimentally infect volunteers with RV strains to which the subject demonstrates serological immunity. However, in RV challenges, viral clearance begins before de novo adaptive immune responses would develop. We speculated that adaptive immunity to RV reflects heterologous immunity by effector memory cells. Methods: DCs were generated from monocytes using GM-CSF and IL-4 and RV39 loading accomplished with a dose of ∼350 TCID50/105 cells. RV-induced maturation was established as modulation of MHC class II, CD80, CD83, and CD86. Circulating RV targeting CD4 and CD8 T cells were investigated as induction of RV-specific proliferation (CFSE-dilution). Results: Maturation of DC by RV was confirmed as upregulation of MHC Class II (83.3±5.0% to 87.8±4.1%), CD80 (39.4±7.2% to 47.6±7.7%) and CD86 (78.4±4.7% to 84.1±3.4%). Both CD4 and CD8 memory T cells were recognized in the circulation of healthy subjects. Conclusions: RV drives DC maturation and results in their ability to present RV antigens to both T helper and cytotoxic lymphocytes. Both CD4 and CD8 cells capable of recognizing RV-associated antigens are present in the circulation of healthy subjects where they are presumably involved in immune surveillance and explain the rapid recruitment of an adaptive immune response during RV infection. [ABSTRACT FROM AUTHOR]

The srf A operon from Bacillus subtilis 168 was previously suggested to encode putative peptide synthetases and was thought to be the surfactin operon, but B.subtilis 168 can't produce surfactin. The functional sfp(encoding 4'-phosphopantetheinyl transferase)gene was inserted toB.subtilis 168 by homologous recombination, resulting in the surfactin producing positive. Here, we amplified the funcyional sfp gene from B.subtilis Nja-9 by analysing the sfp gene with the sequence up- and down-stream from the strains belonging to B.amyloliquefaciens and B.subtilis, and ligated the functional sfp gene to P43 promoter and terminator, building up the sfp gene expression frame. The recombinant integrative vector pST-1730 was constructed and transformed to B.subtilis 168, accomplishing the integration at the amyE site of B.subtilis 168, and the surfactin-producing strain B. subtilis 121 was obtained. The study laid the foundation of the modification and analysis of the surfactin synthetase genes. [ABSTRACT FROM AUTHOR]

The three-component [3+2+1] cycloaddition of epoxides, imines, and carbon monoxide to produce 1,3-oxazinan-4-ones has been developed by using [HCo(CO)4] as the catalyst. The reaction occurs for a wide variety of imines and epoxides, under 60 bar of CO pressure at 50 °C, to produce 1,3-oxazinan-4-ones with different substitution patterns in high yields, and provides an efficient and atom-economic route to heterocycles from simple and readily available starting materials. A plausible mechanism involves [HCo(CO)4]-induced ring-opening of the epoxide, followed by sequential addition of carbon monoxide and the imine, and then ring closure to form the product accompanied by regeneration of [HCo(CO)4]. [ABSTRACT FROM AUTHOR]

The three-component [3+2+1] cycloaddition of epoxides, imines, and carbon monoxide to produce 1,3-oxazinan-4-ones has been developed by using [HCo(CO)4] as the catalyst. The reaction occurs for a wide variety of imines and epoxides, under 60 bar of CO pressure at 50 °C, to produce 1,3-oxazinan-4-ones with different substitution patterns in high yields, and provides an efficient and atom-economic route to heterocycles from simple and readily available starting materials. A plausible mechanism involves [HCo(CO)4]-induced ring-opening of the epoxide, followed by sequential addition of carbon monoxide and the imine, and then ring closure to form the product accompanied by regeneration of [HCo(CO)4]. [ABSTRACT FROM AUTHOR]

• The displacement cascade simulations in pure W and W-Re alloy containing GB and/or σ-phase have been systematically investigated. • Interstitials in W-Re alloy are preferentially absorbed by GB region. • Interstitials are preferentially absorbed by σ-phase, and Re atoms tend to aggregate near the σ-phase region. • The absorption of σ phases and the GB region leads to an increase in the aggregation of interstitials near the σ phase/GB region and a reduction of vacancies in the bulk region Transmutation rhenium (Re) produced in tungsten (W) neutron irradiation not only segregates and precipitates at grain boundaries (GBs) but also forms the σ-phase (WRe) in the bulk. In this study, using a molecular dynamics (MD) method, we conducted collision cascade simulations in W and W–Re alloys with 5 or 10 at% Re atoms containing a GB/σ-phase and systematically examined the effect of GB and the evolution of σ-phase. We find the interstitials in W-Re alloy are preferentially absorbed by the GB region such that the number of vacancies in the bulk region is higher in W–Re alloys than in W; the defect distribution is sensitive to the distance of primary knock-on atoms from the GB plane. Furthermore, similar to the tendency in the GB region, interstitials are preferentially absorbed by the σ-phase, and Re atoms tend to aggregate near the σ-phase region. The absorption of σ-phases and the GB region leads to a considerable defect aggregation, which provides suitable conditions for the regrowth of σ-phase structure during long-term evolution. The results provide a reference for understanding the GB structure and precipitations in the displacement cascades of W and W-based alloy materials. [ABSTRACT FROM AUTHOR]