Search

Background: About 1/3 of primary biliary cholangitis (PBC) patients suffered from poor response worldwide. And these patients present intestinal disturbances. We aimed to identify signatures of microbiota and metabolites in PBC patients with poor response, comparing to patients with response. Methods: This study enrolled 25 subjects (14 PBC patients with response and 11 PBC patients with poor response). Metatranscriptomics and metabolomics analysis were carried out on their fecal. Results: PBC patients with poor response had significant differences in the composition of bacteria, characterized by decreased Gemmiger etc. and increased Ruminococcus etc. The differential microbiota functions characterized by decreased abundance of elongation factor Tu and elongation factor G base on the KO database, as well as decreased abundance of Replicase large subunit etc. based on the SWISS-PROT database. PBC with poor response also had significant differences in 17 kinds of bacterial metabolites, characterized by decreased level of metabolites vital in bile acids metabolism pathway (L-Cysteine etc.) and the all-trans-Retinoic acid, a kind of immune related metabolite. The altered microbiota was associated with the differential expressed metabolites and clinical liver function indicators. 1 bacterial genera, 2 bacterial species and 9 metabolites simultaneously discriminated PBC with poor response from PBC with response with high accuracy. Conclusion: PBC patients with poor response exhibit unique changes in microbiota and metabolite. Gut microbiota and metabolite-based algorithms could be used as additional tools for differential prediction of PBC with poor prognosis. [ABSTRACT FROM AUTHOR]

Purpose: Keratoconus (KC) is a multifactorial disorder. This study aimed to conduct a systematic meta-analysis to exclusively explore the candidate proteins associated with KC pathogenesis. Methods: Relevant literature published in the last ten years in Pubmed, Web of Science, Cochrane, and Embase databases were searched. Protein expression data were presented as the standard mean difference (SMD) and 95% confidence intervals (CI). The meta-analysis is registered on PROSPERO, registration number CRD42022332442 and was conducted in accordance with the Preferred Reporting Items for Systematic reviews and Meta-Analyses statement (PRISMA). GO and KEGG enrichment analysis were performed, as well as the miRNAs and chemicals targeting the candidate proteins were predicted. PPI was analyzed to screen the hub proteins, and their expression was verified by RT-qPCR. Results: A total of 21 studies were included in the meta-analysis, involving 346 normal eyes and 493 KC eyes. 18 deregulated proteins with significant SMD values were subjected to further analysis. In which, 7 proteins were up-regulated in KC compared with normal controls, including IL6 (SMD 1.54, 95%CI [0.85, 2.24]), IL1B (SMD 2.07, 95%CI [0.98, 3.16]), TNF (SMD 2.1, 95%CI [0.24, 3.96]), and MMP9 (SMD 1.96, 95%CI [0.68, 3.24]). While 11 proteins were down-regulated in KC including LOX (SMD 2.54, 95%CI [-4.51, -0.57]). GO and KEGG analysis showed that the deregulated proteins were involved in inflammation, extracellular matrix (ECM) remodeling, and apoptosis. MMP9, IL6, LOX, TNF, and IL1B were regarded as hub proteins according to the PPI analysis, and their transcription changes in stromal fibroblasts of KC were consistent with the results of the meta-analysis. Moreover, 10 miRNAs and two natural polyphenols interacting with hub proteins were identified. Conclusion: This study obtained 18 candidate proteins and demonstrated altered cytokine profiles, ECM remodeling, and apoptosis in KC patients through meta-analysis and bioinformatic analysis. It will provide biomarkers for further understanding of KC pathogenesis, and potential therapeutic targets for the drug treatment of KC. [ABSTRACT FROM AUTHOR]

Background and Purpose: Although chemotherapeutics or molecular targeted drugs often elicit profound initial responses, fractional killing capable of driving acquired resistance can persist. Identifying stress‐induced negative feedback or an incoherent feedforward loop (IFFL), which may contribute to fractional killing, is urgently needed. Experimental Approach: Mathematical modelling was used to identify how and to what extent a recently reported Hsp70‐Bim protein–protein interaction (PPI) contributes to the adaptation of the Bcl‐2 network. Experimental validation was made by using a specific inhibitor of Hsp70‐Bim PPI, S1g‐2, as chemical tool. Bifurcation analysis and stochastic simulation were used for the theoretical study of the impact of Hsp70‐Bim PPI on cell‐fate heterogeneity and factional killing. Key Results: The Hsp70‐Bim‐AKT circuit forms an IFFL that greatly contributes to the adaptation of the Bcl‐2‐regulated apoptosis network, thus leading to fractional killing. This adaptive programme enhances noise‐induced cell‐fate heterogeneity by shifting from a saddle‐node to a saddle‐collision transition scenario. Conclusion and Implications: Hsp70‐Bim IFFL serves as a molecular pathway induced by DNA damaging drugs or tyrosine kinase inhibitors that enabled fractional killing, whereby acquired resistance emerges. A synergistic strategy is unveiled for overcoming fractional killing by suppressing Hsp70‐Bim PPI. [ABSTRACT FROM AUTHOR]

Bridged benzazepine scaffolds, possessing unique structural and physicochemical activities, are widespread in various natural products and drugs. The construction of these skeletons often requires elaborate synthetic effort with low efficiency. Herein, we develop a simple and divergent approach for constructing various bridged benzazepines by a photocatalytic intermolecular dearomatization of naphthalene derivatives with readily available α‐amino acids. The bridged motif is created via a cascade sequence involving photocatalytic 1,4‐hydroaminoalkylation, alkene isomerization and cyclization. Interestingly, the diastereoselectivity can be regulated through different reaction modes in the cyclization step. Moreover, aminohydroxylation and its further bromination have also been demonstrated to access highly functionalized bridged benzazepines. Preliminary mechanistic studies have been performed to get insights into the mechanism. This method provides a divergent synthetic approach for construction of highly functionalized bridged benzazepines, which have been otherwise difficult to access. [ABSTRACT FROM AUTHOR]

Bridged benzazepine scaffolds, possessing unique structural and physicochemical activities, are widespread in various natural products and drugs. The construction of these skeletons often requires elaborate synthetic effort with low efficiency. Herein, we develop a simple and divergent approach for constructing various bridged benzazepines by a photocatalytic intermolecular dearomatization of naphthalene derivatives with readily available α‐amino acids. The bridged motif is created via a cascade sequence involving photocatalytic 1,4‐hydroaminoalkylation, alkene isomerization and cyclization. Interestingly, the diastereoselectivity can be regulated through different reaction modes in the cyclization step. Moreover, aminohydroxylation and its further bromination have also been demonstrated to access highly functionalized bridged benzazepines. Preliminary mechanistic studies have been performed to get insights into the mechanism. This method provides a divergent synthetic approach for construction of highly functionalized bridged benzazepines, which have been otherwise difficult to access. [ABSTRACT FROM AUTHOR]

For a long time, scholarly research on Buddhism in Luoyang during the Tang Dynasty has mainly focused on eminent monks and Buddhist temples. This focus is evident in the recorded literature of ancient times, such as The Continued Biographies of Eminent Monks and The Biographies of Eminent Monks. Based on stone inscriptions, this paper examines the dissemination and development of Buddhism in the Eastern Capital of Luoyang during the Tang Dynasty. This article presents the following viewpoints and findings: Firstly, the epitaphs and pagoda inscriptions provide historical details that are not widely known, such as the names of temples in the suburb, the identities of prominent monks who propagated Dharma in Luoyang, the Buddhist scriptures chanted and learned by the Luoyang people, and the people's motivation to adopt Buddhism. Secondly, the epitaphs and pagoda inscriptions supplement important historical materials on Chan Buddhism, confirming the widespread popularity of the Northern Sect of Chan Buddhism in the Luoyang region. Thirdly, the epitaphs and pagoda inscriptions reveal that Luoyang Buddhist practice was popular, characterized by the succession of blood-related monastic companions; that is, many families had two or more relatives who became monks or nuns simultaneously or successively, a phenomenon that has not attracted attention from academic circles. Fourthly, the blood-related monastic companions of Buddhist practice affected the mentoring relationships and organizational management of temples and monasteries, promoting communication and interaction between Buddhism and traditional Chinese culture. [ABSTRACT FROM AUTHOR]

SARS‐CoV‐2 aptamer is a favorable candidate for the recognition and detection of SARS‐CoV‐2, owing to its small size and easy synthesis. However, the issue of compromised binding affinities in real samples and targeting mutant SARS‐CoV‐2 hinder wide applications of the aptamer. In this study, it is discovered that molecular crowding could increase binding affinity of CoV2‐6C3 aptamer against RBD (Receptor Binding Domain) of SARS‐CoV‐2 via increasing the absolute value of the enthalpy change. The values of the equilibrium dissociation constant in molecular crowding decrease by 70% and 150%, respectively, against wild‐type and mutant RBD compared with those in buffer without crowding. Moreover, the detection limit of SARS‐CoV‐2 pseudovirus is up to 5 times lower under molecular crowding compared to dilute conditions. The discovery deepens the understanding of aptamer‐target interaction mechanisms in crowding conditions and provides an effective way to apply SARS‐CoV‐2 aptamer for virus recognition and detection. [ABSTRACT FROM AUTHOR]

Cyanobacterial blooms represent a significant environmental problem, threatening aquatic ecosystems worldwide. Caused by the eutrophication of water bodies and global climate change, these blooms have altered freshwater ecosystems worldwide during recent decades. Although cyanobacterial blooms are typically caused by blue-green cyanobacteria, which derive their color from the phycocyanin pigment, other pigmented cyanobacterial blooms have been frequently observed in water bodies. These blooms pose a serious environmental threat to inland waters, endangering global public health and aquatic ecosystems. Therefore, comprehending the mechanism of color variation in cyanobacterial blooms is crucial for revealing the outbreak mechanism and implementing effective prevention and control measures. This study developed a human–machine interactive workflow for extracting cyanobacterial blooms and recognizing their colors based on the Forel-Ule index and Sentinel-2 MultiSpectral Instrument data. Using this workflow, the authors conducted spatiotemporal analysis and statistical analysis of bloom color for cyanobacterial blooms in four typical eutrophic lakes from 2019 to 2022. The findings indicated a declining trend in cyanobacterial blooms across the four studied lakes over the years, among which Hulun Lake experienced an annual increase in cyanobacterial blooms and emerged as the lake with the most severe outbreak of such blooms in 2022. The yellowing status of cyanobacterial blooms varied among the four lakes, with Taihu Lake and Dianchi Lake exhibiting a relatively high proportion of green-yellow and yellow cyanobacterial blooms, followed by Chaohu Lake, whereas Hulun Lake had the lowest occurrence. The workflow developed in this study was implemented in Google Earth Engine and provided an automated, integrated, and rapid monitoring solution for the long-term monitoring and color recognition of cyanobacterial blooms. [ABSTRACT FROM AUTHOR]

Diffuse large B cell lymphoma (DLBCL) is a common and aggressive form of B cell lymphoma. Approximately 40% of DLBCL patients are incurable despite modern therapeutic approaches. To explore the molecular mechanisms driving the growth and progression of DLBCL, we analyzed genes with differential expression in DLBCL using the Gene Expression Profiling Interactive Analysis database. Enkurin domain‐containing protein 1 (ENKD1), a centrosomal protein‐encoding gene, was found to be highly expressed in DLBCL samples compared with normal samples. The phylogenetic analysis revealed that ENKD1 is evolutionarily conserved. Depletion of ENKD1 in cultured DLBCL cells induced apoptosis, suppressed cell proliferation, and blocked cell cycle progression in the G2/M phase. Moreover, ENKD1 expression positively correlates with the expression levels of a number of cellular homeostatic regulators, including Sperm‐associated antigen 5, a gene encoding an important mitotic regulator. These findings thus demonstrate a critical function for ENKD1 in regulating the cellular homeostasis and suggest a potential value of targeting ENKD1 for the treatment of DLBCL. [ABSTRACT FROM AUTHOR]

In this work, the thermostability of F- doped CsPbBr3 has been investigated through first principles calculations. Firstly, crystal structures of CsPbBr3-δFδ with different ratios of F- to Br- have been built. The influences substituting Br- by F- on the crystal structure, electronic band structure, absorption and the thermodynamic property has been investigated and presented. This substitution of Br- by F- could distinctly regulate and control the crystal structure, electronic band structure, thermal stability and the electron transfer process between the ligand ions and Pb2+. Electron transfer process and the thermostability were important for the performance of luminescence materials and CsPbBr3-δFδ with mixed Br- and F- as ligand ions of Pb2+ exhibited better thermal stability than that of CsPbBr3 and CsPbF3. The fluorinated perovskite materials could be a preferable choice for applying to luminescence materials. [ABSTRACT FROM AUTHOR]

Background: Preoperative prediction of clinical pathological indicators of cervical cancer (CC) is of great significance to the formulation of personalized treatment plans for CC. Purpose: To investigate magnetic resonance imaging (MRI) radiomics analysis for the evaluation of pathological types, tumor grade, FIGO stage, and lymph node metastasis (LNM) of CC. Material and Methods: A total of 235 patients with CC from three institutes were enrolled in the study. All patients underwent T2/SPAIR and contrast-enhanced T1-weighted (CE-T1WI) imaging scans before radical hysterectomy by pelvic lymph node dissection surgery. Radiomics features extracted from T2/SPAIR and CE-T1WI imaging were selected by the least absolute shrinkage and selection operator (LASSO) methods for further radiomics signature calculation. These radiomic features were used to construct regression and decision tree models to evaluate the performance of radiomic features in distinguishing clinicopathological indicators. Results: The area under the curve (AUC) of T2/SPAIR and CE-T1WI imaging were 0.777 and 0.750, respectively, for differentiating between adenocarcinoma and squamous cell carcinoma. From the two sequences, the AUC of the verification group that distinguished low FIGO stage from high FIGO stage was 0.716 and 0.676, respectively. The AUC for moderately well and poorly differentiated tumors were 0.729 on T2/SPAIR and 0.749 on CE-T1WI imaging. The AUC of the verification groups for LNM was 0.730 and 0.618 on T2/SPAIR and CE-T1WI imaging, respectively. Conclusion: MRI radiomics features can be used as a non-invasive method to evaluate the clinicopathological indexes of CC and provide an important auxiliary examination method for patients to determine individualized treatment plans before operation. [ABSTRACT FROM AUTHOR]

In this paper, influences of Bi3+ doping on the crystal structure and electronic band structure of Sr3MgSi2O8, and charge transfer process from the valence band to Bi3+ (CT) and from Bi3+ to the conduction band in Sr3MgSi2O8 (MMCT) have been investigated through first principles calculations. The total energy calculations make clear the location of the doped Bi3+ in Sr3MgSi2O8 that the doped Bi3+ preferred to take up the Mg2+ sites and form BiO6. The calculated results of electronic band structure and density of states reveal the constituents that make up the conduction band and valence band of Sr3MgSi2O8 and Sr3Mg0.875Bi0.125Si2O8, respectively. In addition, a defect level appears in the band gap of Sr3Mg0.875Bi0.125Si2O8, which is originated from the p orbit of the doped Bi3+. Also, the calculated absorptions of Sr3MgSi2O8 and Sr3Mg0.875Bi0.125Si2O8 show a gradually shifted absorption band from deep UV region to the blue area with increasing absorption intensity. The above results make clear of the fact that first principles calculations can be useful in investigating the properties of Bi3+ doped luminescent materials and designing new kinds of luminescent host materials. [ABSTRACT FROM AUTHOR]

This study defines a Hadamard fractional sum by use of the time-scale theory. Then a h -fractional difference is given and fundamental theorems are proved. Initial value problems of fractional difference equations are presented and their equivalent fractional sum equations are provided. The discrete Mittag-Leffler function solutions of linear fractional difference equations are obtained. It can be concluded that the new discrete fractional calculus of Hadamard type is well defined. [ABSTRACT FROM AUTHOR]

This study investigates Caputo–Hadamard fractional differential equations on time scales. The Hadamard fractional sum and difference are defined for the first time. A general logarithm function on time scales is used as a kernel function. New fractional difference equations and their equivalent fractional sum equations are presented by the use of fundamental theorems. Gronwall inequality, asymptotical stability conditions, and two discrete-time Mittag–Leffler functions of Hadamard type are obtained. Numerical schemes are provided and chaos in fractional discrete-time logistic equation and neural network equations are reported. [ABSTRACT FROM AUTHOR]

In the domain of global socio-economic dynamics, the pivotal role of food production (FP) cannot be overstated. It constitutes the bedrock of fundamental human necessities while being inexorably linked with critical aspects such as economic expansion, societal equilibrium, and geopolitical interplays. The multifaceted nature of FP appears through its direct impact on macroeconomic indicators and its latent influence on international relations and policy-making. This critical nexus underscores the imperative for a comprehensive understanding and strategic management of food production processes to sustain and enhance global socio-economic stability and growth. Investigating the nexus between green finance (GF) and FP is pivotal for ensuring national security and promoting sustainable economic development. This research thus paper examines GF's impact on FP in China as outlined in the 2017 green finance policies. It employs the difference-in-differences (DID) method and analyzes a balanced panel dataset comprising 282 cities in China from 2009 to 2020. The results show that GF has an inhibitory effect on FP, and this remains valid after a range of reliability checks, including parallel trend assessments and placebo tests. Further findings of transmission mechanism analysis indicate that non-agricultural factors and financial exclusion are critical for GF's inhibitory effect on FP. Heterogeneity analyses show that GF's inhibitory effect on FP is more pronounced in the main food-producing areas, the main food-marketing areas, and cities with better infrastructure. The empirical results of this paper comprehensively illustrate GF's impact on FP and how it contributes to the achievement of food security objectives. [ABSTRACT FROM AUTHOR]

• Site of Eu2+ in the crystal structure of Ba 2 GdB 2 ClO 6 are investigated through first principles calculation. • Interactions between the defect state with the doped Eu2+ are studied by analysis of the electronic band structure. • How the ions substitution and ions vacancy influence the charge transfer process are comprehended. First principles calculation is employed to investigate the crystal structure, electronic band structure, sites of the doped Eu2+ and the defect state in Ba 2 GdB 2 ClO 6 with multi-coordination cation sites. The formation energies of Ba 2 GdB 2 ClO 6 with Eu2+ substituting have been calculated and the doped Eu2+ prefers to substitute for Gd3+ and Ba2+ sites. The deficiency of O2− ions in the crystal structures will lead to the generation of defect state in the band gap and the deficiency of O2− usually occurred near Eu2+. Through the location of the defect state in the band gap and its composition, the electrons trapped in the defect state would be transferred to Eu2+ through the ways such as low energy light excitation, thermal activation and tunnelling. The defect state in the band structure plays an important role in the charge transfer process. Investigation into the defect state is quite important in the modulation of luminescence materials. [Display omitted] [ABSTRACT FROM AUTHOR]

The structural and mechanical properties of ScB 2 and Sc 0.5 TM 0.5 B 2 (TM = Ti, V, Zr) alloys are investigated in the pressure range of 0–150 GPa based on density functional theory. The ground state structures of ScB 2 are screened out by structural substitution, and the P 6/ mmm is determined as the initial structure of alloying research according to structural stability. The structures of alloy generation and recognition (SAGAR) code combined with first-principles calculations selected the stable structures of Sc 0.5 TM 0.5 B 2 (TM = Ti, V) and Sc 0.5 Zr 0.5 B 2 alloys as ordered structure types Ⅰ and Ⅱ, respectively. The formation enthalpy, phonon dispersion and elastic constants demonstrate that Sc 0.5 TM 0.5 B 2 (TM = Ti, V, Zr) alloys are thermodynamically, dynamically and mechanically stable. In the whole pressure range, the elastic moduli of Sc 0.5 TM 0.5 B 2 (TM = Ti, V, Zr) increased significantly compared with ScB 2. This indicates that the introduction of TM improves the mechanical properties of ScB 2. The Vickers hardness (H V) of the ScB 2 ground state is 42.4 GPa, and the H V of the Sc 0.5 TM 0.5 B 2 (TM = Ti, V, Zr) alloys are increased to 47.8, 50.3 and 44.8 GPa, respectively. The electronic structures and chemical bonding reveal that the Sc 0.5 TM 0.5 B 2 (TM = Ti, V, Zr) alloys have stronger B–B, B–TM covalent bonds, charge interaction, and higher valence electron density, which significantly improves the hardness. The results show that ScB 2 and Sc 0.5 TM 0.5 B 2 (TM = Ti, V, Zr) alloys are potential superhard multifunctional materials. [ABSTRACT FROM AUTHOR]

Non‐small cell lung cancer (NSCLC) is the most common cause of cancer mortality worldwide. NSCLC has an aggressive phenotype and poor prognosis, and is quite heterogeneous without effective and specific targeted therapies. Therefore, exploring new tumor markers and drug targets for NSCLC is crucial towards individualized treatment. Here, we demonstrate that enkurin domain containing 1 (ENKD1), a protein with unknown structure and function, is significantly downregulated in NSCLC tumor tissues compared with their non‐tumor counterparts. We also show that ENKD1 expression is decreased in NSCLC cells compared to normal human lung epithelial cells. EdU incorporation, wound healing, and transwell invasion assays reveal that ENKD1 regulates the proliferation, migration, and invasion of NSCLC cells. Collectively, these results suggest that ENKD1 plays an important role in NSCLC progression and that ENKD1 is a tumor marker and a potential molecular drug target for the treatment of NSCLC patients. [ABSTRACT FROM AUTHOR]

Objectives: Although antiretroviral therapy (ART) has prolonged the lives of HIV‐infected individuals, HIV reservoir remains the main stumbling block to HIV cure. Presently, early ART initiation is one of the effective measures to reduce the HIV reservoir. The effects of ART in Chinese individuals with acute and early HIV infection (AEHI) and chronic HIV infection (CHI) were analyzed in this study. Methods: We performed virological and immunological parameter analysis in 29 AEHI and 19 CHI individuals who were initiated into ART in Beijing, China. The HIV DNA, CD4+ T‐cell and CD8+ T‐cell counts, and CD4/CD8 ratios between the two groups were compared using statistical analyses. Results: At weeks 48 and 96, the total HIV DNA was significantly lower in the AEHI group than that the CHI group (2.48 [2.26–2.66] vs. 3.06 [2.79–3.33] log10 copies/106 peripheral blood mononuclear cells (PBMCs), p < 0.01 at week 48 and 2.17 [1.85–2.45] vs. 2.92 [2.73–3.24] log10 copies/106 PBMCs, p < 0.01 at week 96, respectively). The CD4/CD8 T‐cell ratio in the AHI group at week 24 was significantly higher than that in the CHI group (0.71 [0.50–0.99] vs. 0.45 [0.34–0.65], p = 0.08). After 48 weeks of ART, there was still a negative correlation between the CD4/CD8 ratio and the HIV DNA level in the CHI group rather than the AEHI group. Conclusions: Early ART initiation could enhance an earlier immunological recovery in AEHI. Immunological normalization after ART initiation could provide important protection against the viral reservoir seeded in AEHI individuals. [ABSTRACT FROM AUTHOR]

Traditional urban landscape modeling relies on limited geographic information data and sensor observation data, but urban landscapes are dynamic and cannot generate accurate urban landscape models. By utilizing remote sensing data and machine learning technology to capture the spatiotemporal dynamics of urban landscapes, the accuracy of urban landscape modeling is improved. This article collected sufficient urban remote sensing images and temporal data, preprocessed the collected data, and used Residual Network (ResNet) feature extractors to analyze remote sensing image data. It integrated the output of the ResNet feature extractor with urban temporal data and inputs it into the Long Short-Term Memory (LSTM) model. This article constructed the ResNet LSTM model. The results from the test set indicated that the ResNet LSTM model had an average accuracy of 97.0% for urban landscape classification. The ResNet LSTM model can effectively improve the accuracy of urban landscape classification and provide an effective method for accurately generating urban landscape models. [ABSTRACT FROM AUTHOR]

Yellow hornpoppy (Glaucium flavum Crantz.) is a herbaceous plant with gray-green leaves in coastal sands, rocky areas, and heavily eroded soils up to 500 meters above sea level. Glaucium flavum is native to Northern Africa, temperate zones in Western Asia and Europe, and is indigenous to Iran. The plant has been widely recognized for its aporphine-type isoquinoline alkaloids, which are pharmacologically active. Thus, we conducted a combination of morphological and molecular data analysis on such species because of the plant species' relevance. One hundred seven randomly collected plants from 14 natural populations in 5 provinces were evaluated using ISSR markers and morphological traits. The evaluation of molecular variance (AMOVA) demonstrated significant genetic divergence between the examined populations. It indicated that 25% of overall genetic variability was related to intra-population variety, whereas 75% was due to inter-population genetic differentiation. ISSR primers discovered 156 bands, 139 (83 %) of which have been polymorphic, each primer containing an average of 13 bands. The Polymorphic Bands (PPB) Percentage (ISSR-6) varied from 50% to 100%. (ISSR-1, ISSR-4, and ISSR-5). The average polymorphic information content (PIC), Shannon's information indexes (I), and several effective alleles (Ne) were correspondingly 0.39, 0.26, and 1.2. [ABSTRACT FROM AUTHOR]

Ubiquitin‐specific protease 21 (USP21) has been implicated in several types of cancer. It promotes or suppresses tumor growth in a cell‐context dependent manner. Cholangiocarcinoma is a malignant tumor with a high mortality rate. However, the role of USP21 in cholangiocarcinoma remains unknown. Here, we identify that the level of USP21 is upregulated in cholangiocarcinoma using bioinformatics analysis and confirm this elevation in RBE cell lines. Cell counting and 5‐ethynyl‐2′‐deoxyuridine incorporation assays reveal that USP21 promotes the proliferation of cholangiocarcinoma. Wound healing and transwell assays demonstrate that USP21 accelerates RBE cell migration. In addition, rescue assays reveal that reintroduction of USP21 wildtype other than the deubiquitinase‐deficient C221A mutant restores USP21 depletion‐induced attenuation in cell proliferation and migration, indicative of the requirement of the deubiquitinase activity. Collectively, these data indicate that USP21 is critically involved in cholangiocarcinoma tumorigenesis and may be an effective target for the treatment of cholangiocarcinoma. [ABSTRACT FROM AUTHOR]

The chaperone heat shock protein 70 (Hsp70) is conserved from bacteria to humans and is crucial for avoiding protein misfolding under stress. Bim functions, mainly as one of the B-cell lymphoma 2 (Bcl-2) family proapoptotic members, were identified to be a cochaperone of Hsp70. Herein, we reported that ectopic Bim could constitute the interactions with intrinsic Hsp70 and translate its positive cochaperone activity in vitro to the yeast growth promotion and help Hsp70 to fold its client Ras-like protein. With the help of a specific Hsp70/Bim disruptor, we illustrated that Hsp70/Bim dimers rescue yeast from heat shock. In an organism lacks apoptotic Bcl-2 factors, the proapoptotic Bim in mammalian cells exhibits prosurvival functions. [ABSTRACT FROM AUTHOR]

Aiming at the problem of low-frequency vibration and noise control in the engineering applications, a new two-dimensional phononic crystal consisting of cross-like copper beams embedded in silicon rubber plates with holes is designed and the bandgap characteristics are calculated by the finite element method. Meanwhile, the acoustic displacement fields of the bandgap edges are analyzed to clarify the mechanism of the bandgap generation and the effects of parameters variation on the band structure are discussed carefully. In addition, considering the application value of the model, the combination sealing plate structures with large size are further investigated and described. Results show that a wide low-frequency bandgap is opened and the generation of the bandgap is due to the out-plane torsional vibration of the cross-like beams. The bandgaps mainly depend on the matching degree of material and the geometry parameters of periodic hole, while the bandgaps are not quite sensitive to the thickness of plate. [ABSTRACT FROM AUTHOR]

Changes of crystal structures, formation energies, electronic band structures and absorptions induced by sulfide ions substituting for oxygen ions in Sr3MgSi2O8-δSδ have been calculated by the first-principles calculation. Through the calculations, it can be found that crystal structures get enlarged with the increasing sulfide ion substituting concentrations. Band structures and densities of states make clear of the compositions of the valence bands and the conduction bands in Sr3MgSi2O8-δSδ. Band gap value of initial Sr3MgSi2O8 without any sulfide ion substitution is about 4.788 eV. Meanwhile, for the Sr3MgSi2O8-δSδ lattices with increasing sulfide ion substitutions, a decreasing trend of band gap values appeared and the minimum band gap gradually decreased to 2.705 eV till δ = 4. This is due to the hybridization of sulfide ion and oxygen ion in Sr3MgSi2O8-δSδ lattice which raised the top of valence band. After the oxygen ions have been totally replaced by the sulfide ion, the band gap grows up to 2.852 eV, which is smaller than that of Sr3MgSi2O8 without sulfide ions substitution. In addition, the calculated absorptions of Sr3MgSi2O8-δSδ gradually shifted from deep UV region to the blue area due to the sulfide ions substitutions. This makes Sr3MgSi2O8-δSδ more suitable for serving as luminescent host materials employed in the UV-pumped white WLEDs. [ABSTRACT FROM AUTHOR]

Purpose: Inadequate medication adherence among patients with non-valvular atrial fibrillation (NVAF) will directly affect the efficacy and safety of anticoagulation therapy, leading to a considerable increase in the risk of ischemic stroke and death. In this study, we aim to investigate medication adherence and identify the influencing factors, including social-demographic, disease-related information and self-efficacy. Patients and Methods: We recruited 170 patients with NVAF from a tertiary hospital atrial fibrillation outpatient clinics and cardiology ward from June 2020 to September 2020. Patients who had been taking oral anticoagulation medication for at least 3 months were included. And Morisky medication adherence scale (MGL) was used to assess the adherence to anticoagulants, which scores < 4 were considered as low adherence. Results: Fifty (29.4%) NVAF patients had a MGL score< 4. Monthly income, types of comorbidities, number of drugs, and self-efficacy were determinants of anticoagulation adherence. Binomial logistic regression showed that patients had been prescribed more durgs (OR: 3.51, p=0.002), had high monthly income (OR: 7.87, p=0.001), without other diseases (OR: 8.00, p=0.005), and with higher self-efficacy (OR: 1.42, p=0.001) showed high adherence. Conclusion: Number of drugs, types of comorbidities, monthly income, and self-efficacy were associated with the adherence of non-vitamin K antagonist oral anticoagulants (NOACs). [ABSTRACT FROM AUTHOR]

• An uncomplicated method constructs an optimal BQ/TiC/UCN composite. • BQ/TiC/UCN demonstrates superior photocatalytic activity in visible light region. • The TiC nanosheets can accelerate the migration of photoinduced charge carriers. • The mechanism of charge transfer in BQ/TiC/UCN heterojunction is proposed. The fabrication of ultrathin MXene (Ti 3 C 2)-based photocatalysts is highly intriguing as the charges can vectorially transfer along the two-dimensional (2D) direction despite being challenging. Herein, ultrathin Ti 3 C 2 (TiC) nanosheets with excellent conductivity are rationally introduced to ultrathin metal-free 0D/2D black phosphorus (BQ)/ultrathin g-C 3 N 4 (UCN) heterojunction for improving photocatalytic H 2 production activity. The optimized BQ/TiC/UCN composite displayed obvious advantages such as the strong interfacial contact and enhanced visible-light capture. Importantly, the incorporation of TiC nanosheets substantially accelerates charge transfer to fast separation of photoinduced carriers between BQ and UCN. The optimized BQ/TiC/UCN composite exhibited 47.2 and 19.4 folds higher photocatalytic activity (18.42 mmol h−1 g−1) than that of bulk g-C 3 N 4 (BCN) and UCN, respectively. The microstructure, composition, and optical properties of BQ/TiC/UCN composite were carefully characterized. The current research results may furnish fresh insights into the exploration of MXene (Ti 3 C 2)-based catalysts with high solar energy utilization. [ABSTRACT FROM AUTHOR]

Graphite-like carbon nitride (g-C 3 N 4) has attracted great attention for pollutant degradation and clean energy production. The heterojunctions of bismuth halide (BiOX, X = Cl, Br, I) and g-C 3 N 4 are proposed to overcome the shortcomings of the g-C 3 N 4 photocatalyst, such as low charge separation rate and high charge recombination rate. This review paper systematically discusses the progress in synthesis, structure, and applications of heterojunction photocatalytic composites made of g-C 3 N 4 and BiOX based on the understanding of their photocatalytic reaction mechanism. We clarify and summarize structural mechanisms of a single and compound semiconductor to reveal the factors that affect photocatalytic performances. We discuss and compare advantages and disadvantages of versatile preparation processes. Particularly, we focus on the understanding of the structure and characteristics of type II, Z-type, n-n, and p-n heterojunctions and their applications, specifically in pollutant degradation, H 2 production by water splitting, CO 2 reduction, and medical sterilization. The future prospects of g-C 3 N 4 /BiOX composites are also discussed from aspects of their preparation, application, and research methods. This work may offer a good avenue and data reference to develop novel g-C 3 N 4 photocatalytic materials to meet the ever-increasing environmental pollution and energy shortage. g-C 3 N 4 /BiOX composite material can be synthesized using hydrothermal, hydrolysis, and other methods. Its heterojunction structure includes type II, type Z, n-n, and p-n structures, and it may be applicable for pollutant degradation, H 2 production by water splitting, CO 2 reduction, and medical sterilization. Image 1 • A detailed overview of g-C 3 N 4 /BiOX heterojunction composites is provided. • The characteristics of preparation methods of g-C 3 N 4 /BiOX composites were emphasized. • The mechanism study of g-C 3 N 4 /BiOX heterojunction is explained. • The application status of g-C 3 N 4 /BiOX composite materials are discussed. [ABSTRACT FROM AUTHOR]

Using a series of DNA methylation analysis, pathogenesis was investigated to identify the specific DNA methylation markers for diagnosing atherosclerosis. Firstly, with the chip platform of Illumina Human Methylation 450 BeadChip, a total of 1,458 CpGs, covering 971 differential methylated genes were extracted with stringent filtering criteria. Secondly, hierarchical clustering as a heat map was used to check on the dependability of differential methylated genes. Thirdly, the related GO terms and pathways were enriched by up- and down-methylated genes, respectively, after verifying the capacity of these differential methylated genes to distinguish between atherosclerosis and healthy controls. In total, 971 differential DNA methylated genes were identified (1,458 CpGs). Several important function regions were also identified, including cell adhesion, PI3K-Akt signaling pathway and transcription from RNA polymerase II promoter. This study indicates that patients with atherosclerosis have high levels of DNA methylation, which is promising for early diagnosis and treatment of atherosclerosis. [ABSTRACT FROM AUTHOR]

The construction of multiple continuous fully substituted carbon centers, which serve as unique structural motif in natural products, is a challenging topic in organic synthesis. Herein, we report a hydrated [3+2] cyclotelomerization of butafulvenes to create contiguous fully substituted carbon backbone. In the presence of scandium triflate, all‐carbon skeleton with spiro fused tricyclic ring can be constructed in high diastereoselectivity by utilizing butafulvene as the synthon. Mechanistic studies suggest that this atom‐economic reaction probably proceeds through a synergistic process containing butafulvenes dimerization and nucleophilic attack by water. In addition, the tricyclic product can undergo a series of synthetic derivatizations, which highlights the potential applications of this strategy. The recyclability of Sc(OTf)3 has also been demonstrated to show its robust performance in this hydrated cyclotelomerization. [ABSTRACT FROM AUTHOR]

The construction of multiple continuous fully substituted carbon centers, which serve as unique structural motif in natural products, is a challenging topic in organic synthesis. Herein, we report a hydrated [3+2] cyclotelomerization of butafulvenes to create contiguous fully substituted carbon backbone. In the presence of scandium triflate, all‐carbon skeleton with spiro fused tricyclic ring can be constructed in high diastereoselectivity by utilizing butafulvene as the synthon. Mechanistic studies suggest that this atom‐economic reaction probably proceeds through a synergistic process containing butafulvenes dimerization and nucleophilic attack by water. In addition, the tricyclic product can undergo a series of synthetic derivatizations, which highlights the potential applications of this strategy. The recyclability of Sc(OTf)3 has also been demonstrated to show its robust performance in this hydrated cyclotelomerization. [ABSTRACT FROM AUTHOR]

Different subtypes of influenza A viruses (IAVs) cause different pathogenic phenotypes after infecting human bodies. Analysis of the interactions between viral proteins and the host proteins may provide insights into the pathogenic mechanisms of the virus. In this paper, we found that the same proteins (nucleoprotein and neuraminidase) of H1N1 and H5N1 have different impacts on the NF-κB activation. By further examining the virus–host protein–protein interactions, we found that both NP and NA proteins of the H1N1 and H5N1 viruses target different host proteins. These results indicate that different subtypes of influenza viruses target different human proteins and pathways leading to different pathogenic phenotypes. [ABSTRACT FROM AUTHOR]

This study aims at investigating the potential targets and functional mechanisms of Scutellariae Radix-Coptidis Rhizoma (QLYD) against atherosclerosis (AS) through network pharmacology, molecular docking, bioinformatic analysis and experimental validation. The compositions of QLYD were collected from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) and literature, where the main active components of QLYD and corresponding targets were identified. The potential therapeutic targets of AS were excavated using the OMIM database, DrugBank database, DisGeNET database, CTD database and GEO datasets. The protein-protein interaction (PPI) network of common targets was constructed and visualized by Cytoscape 3.7.2 software. Gene ontology (GO) and Kyoto encyclopedia of genes and genomes (KEGG) analysis were performed to analyze the function of core targets in the PPI network. Molecular docking was carried out using AutoDockTools, AutoDock Vina, and PyMOL software to verify the correlation between the main components of QLYD and the core targets. Mouse AS model was established and the results of network pharmacology were verified by in vivo experiments. Totally 49 active components and 225 corresponding targets of QLYD were obtained, where 68 common targets were identified by intersecting with AS-related targets. Five hub genes including IL6, VEGFA, AKT1, TNF, and IL1B were screened from the PPI network. GO functional analysis reported that these targets had associations mainly with cellular response to oxidative stress, regulation of inflammatory response, epithelial cell apoptotic process, and blood coagulation. KEGG pathway analysis demonstrated that these targets were correlated to AGE-RAGE signaling pathway in diabetic complications, TNF signaling pathway, IL-17 signaling pathway, MAPK signaling pathway, and NF-kappa B signaling pathway. Results of molecular docking indicated good binding affinity of QLYD to FOS, AKT1, and TNF. Animal experiments showed that QLYD could inhibit inflammation, improve blood lipid levels and reduce plaque area in AS mice to prevent and treat AS. QLYD may exert anti-inflammatory and anti-oxidative stress effects through multi-component, multi-target and multi-pathway to treat AS. [Display omitted] • QLYD is the core drug for the treatment of AS. • Modern techniques were used to investigate the effective pharmacological mechanisms of TCM in treating AS. • The main active components of QLYD and key therapeutic targets are widely studied in the treatment of AS. • The main active components of QLYD have good binding affinity to the key therapeutic targets of AS. • QLYD treats AS through multi-component, multi-target and multi-pathway action. [ABSTRACT FROM AUTHOR]

Membrane technology for O 2 /N 2 separation is a mature industrial unit. Membranes with excellent permeation-separation performance are still one of the critical requirements. The cobalt-based compounds have been well known for their good affinity for O 2 , which can facilitate O 2 transfer and improve the O 2 /N 2 selectivity in membranes. The cobalt-based compounds, moreover, have a magnetic responsive effect, which can lead to a further improvement in O 2 /N 2 separation under a magnetic field. A class of PIM-1 mixed matrix membranes (MMMs), containing cobalt-based ionic liquid (CILs)@polyarylate (aromatic polyester) (PAR) (core-shell) composite nanospheres (CILs@PAR (c-s) CNPs), were prepared. Chemical compositions of CILs@PAR (core-shell) CNPs were determined by Fourier transform infrared spectroscopy (FTIR). Morphologies and structures of CILs@PAR (core-shell) CNPs were observed by transmission electron microscopy (TEM). Gas adsorption properties of CILs@PAR (core-shell) CNPs were tested. Thermal properties of the (CILs@PAR (c-s) CNPs)/PIM MMMs were investigated by simultaneous thermal analysis (TGA-DSC). Gas permeation-separation performances of the (CILs@PAR (c-s) CNPs)/PIM MMMs were also reported. Compared with the original PIM-1 membrane, the (CILs@PAR (c-s) CNPs)/PIM MMMs display higher O 2 /N 2 selectivity because of cobalt-based ionic liquid as O 2 carrier, coupled with a reduction in O 2 permeability. With increasing the content of the CILs@PAR (c-s) CNPs, the O 2 /N 2 selectivity increases, and the O 2 permeability decreases. It is also found that, as a magnetic field on the MMMs, the O 2 /N 2 selectivity further increases; and it increases more, as a higher content of CILs@PAR (c-s) CNPs. Therefore, the (CILs@PAR (c-s) CNPs)/PIM MMMs exhibit excellent O 2 /N 2 selectivity of ∼5 coupled with good O 2 permeability of ∼140 Barrer under a 180 mT magnetic field and show great potential for air separation. [Display omitted] • Cobalt-based ionic liquids (CILs)@polymer composite nanoparticles were prepared. • CILs are a O 2 carrier in the MMMs. • CILs have a good magnetic response. • The MMMs exhibit remarkable performance of O 2 /N 2 under a magnetic field. [ABSTRACT FROM AUTHOR]

Based on the quantum valley Hall effect analogy, this work proposes a phononic crystal plate with ligament-type beams to obtain the topological valley transmission of elastic waves. A pure Bragg degenerate state appears in the high-frequency region with a resonator introduced. By rotating the central scatterer and the beams, the mirror symmetry is broken to form a topological bandgap. Subsequently, this work finds that two selective edge states also appear beside the commonly non-trivial crossing edge states in the topological bandgap by calculating the projected band and eigenvalue spectrum of the supercell with different valley Hall phases phononic crystals. Their appearance is due to band separation of the topological edge states caused by an increase in the rotation angle. Both selective edge states can transmit topologically in specific paths. They will help further to broaden the width of the frequency band of topological transmission. Besides, an elastic wave splitter is designed and demonstrated numerically, which can form two channels and three channels in different frequency bands. With the topological selective edge state disappearing, a topological corner state exists in the edge bandgap. This work provides a theoretical reference for practical applications of broadband elastic wave topological transmission and elastic energy trapping. [ABSTRACT FROM AUTHOR]

• Computational model of Sr 3 MgSi 2 O 8-σ N σ were built and investigated. • The substituting nitrogen ions tended to be spreading among the lattice. • The energy needed for one oxygen substituted by one nitrogen is about 89.50 eV. • This work is useful for understanding nitrogen replacing oxygen in Sr 3 MgSi 2 O 8-δ. In this work, influence of the nitrogen substituting for oxygen on the crystal structures and electronic band structures of Sr 3 MgSi 2 O 8-σ N σ (σ = 0, 0.125 and 0.250) materials had been investigated by the first-principles calculation. For the initial Sr 3 MgSi 2 O 8 without nitrogen substitution, the band gap is about 5.889 eV between the conduction band and valence band. Analysis of its density of states (DOS) indicates that the conduction band is mainly constituted by Sr- d orbit. The valence band is mainly constituted by O- p orbit. After the nitrogen substituting for oxygen occurs, the band gap gradually decreases to 4.421 eV in the case σ = 0.250. Top of the valence band is still locating near 0 eV while bottom of the conduction band drops down to 4.421 eV. On the other hand, it can be observed that the N- p orbit hybridized into the top of the valence band which induced a new band above the O- p orbit. For Sr 3 MgSi 2 O 8-σ N σ materials with rare earth ions or transition metal ions serving as luminescence centres, this condition would influence the charge transfer process between the host materials and the luminescence centres. In addition, the energy needed for the substitution of one nitrogen anion for one oxygen anion is calculated to 89.50 eV. This illuminates clearly that the preparation condition of nitrogen oxide compounds is harsh. This work is helpful for better understanding the influence of nitrogen substituting for oxygen on the crystal structures and electronic band structures of Sr 3 MgSi 2 O 8-σ N σ materials. [ABSTRACT FROM AUTHOR]

Abstract Immediately after the latest Permian mass extinction, bivalve faunas colonized the Permian-Triassic Transitional Beds (PTTB), especially in littoral clastic facies of South China. The Permian-Triassic (P-Tr) transitional bivalve fauna is composed of holdovers, long-term survivors and newly evolved taxa, and characterized by moderate diversity and high dominance. However, the taxonomy and ecology of this bivalve fauna of littoral clastic facies have not been well understood, especially in comparison with offshore marine records. This paper presents a study on a P-Tr transitional bivalve fauna from five sections of littoral clastic facies in southwestern China, and as such it contributes to a better knowledge of the ecological processes of benthic communities during the P-Tr transition. In total, 20 species in 13 genera of bivalves are identified from the PTTB in the lower part of the Kayitou Formation and the basal part of the Feixianguan Formation of the five sections. Cluster analysis suggests that the transitional bivalve fauna could be further divided into two successive communities (early and late communities), and each is composed of five assemblages. Promyalina – Neoschizodus community (early community) is characterized by presence of holdover taxa, high taxonomic diversity and evenness, and more abundant shallow infaunal suspension feeders. In Pteria community (late community), taxonomic diversity and evenness are much lower, and stationary epifaunal suspension feeders boost at the expense of shallow infaunal suspension feeders compared with the Promyalina – Neoschizodus community. Furthermore, the Promyalina – Neoschizodus community shows a clear spatial variation along environmental gradient from brackish lagoon to shallow marine settings, while the Pteria community is more uniform and homogeneous laterally. The Promyalina – Neoschizodus community in the studied region is of latest Permian age while the Pteria community should belong to the earliest Triassic. Consequently, a significant taxonomical and ecological turnover of bivalve communities occurred between the Promyalina – Neoschizodus community and the Pteria community during the extinction interval in southwestern China. Highlights • A highly diverse P-Tr transitional bivalve fauna colonized the clastic facies • The transitional bivalve fauna is subdivided into two (early and late) communities. • The two bivalve communities differ in taxonomy, ecology and distribution patterns • A significant turnover of bivalve communities occur in the P-Tr transitional beds [ABSTRACT FROM AUTHOR]

Background and Purpose: The biological significance of the multi-site phosphorylation of Bcl-2 at its loop region (T69, S70 and S87) has remained controversial for decades. This is a major obstacle for understanding apoptosis and anti-tumour drug development.Experimental Approach: We established a mathematical model into which a phosphorylation and de-phosphorylation process of Bcl-2 was integrated. Paclitaxel-treated breast cancer cells were used as experimental models. Changes in the kinetics of binding with its critical partners, induced by phosphorylation of Bcl-2 were experimentally obtained by surface plasmon resonance, using a phosphorylation-mimicking mutant EEE-Bcl-2 (T69E, S70E and S87E).Key Results: Mathematical simulations combined with experimental validation showed that phosphorylation regulates Bcl-2 with different dynamics depending on the extent of Bcl-2 phosphorylation and the phosphorylated Bcl-2-induced changes in binding kinetics. In response to Bcl-2 homology 3 (BH3)-only protein Bmf stress, Bcl-2 phosphorylation switched from diminishing to enhancing the Bcl-2 anti-apoptotic ability with increased phosphorylation of Bcl-2, and the turning point was 50% Bcl-2 phosphorylation induced by 0.2 μM paclitaxel treatment. In contrast, Bcl-2 phosphorylation enhanced the anti-apoptotic ability of Bcl-2 towards other BH3-only proteins Bim, Bad and Puma, throughout the entire phosphorylation procedure.Conclusions and Implications: The model could accurately predict the effects of anti-tumour drugs that involve the Bcl-2 family pathway, as shown with ABT-199 or etoposide. [ABSTRACT FROM AUTHOR]

Graphical abstract Highlights • A vopor-polymerization strategy constructs carbon-rich holey few-layer structure. • The morphology of CN material is in-situ regulated by oxygen. • The carbon-rich structure greatly enhances the absorption at long wavelengths. • S-ACN exhibits significantly photocatalytic hydrogen evolution activity. Abstract Ultrathin graphitic carbon nitride (CN) nanosheets, especially large-size holey few-layer materials have attracted great attention but are rarely reported in the phocatalysis field. Hence, an uncomplicated vopor-polymerization strategy is used to obtain a novel sample of carbon-rich holey few-layer CN nanosheet with large domain size (S-ACN) using the oxygen in-situ regulation. Interestingly, the same preparation strategy synthesizes the carbon-rich amorphous hollow-cubic CN materials (S-NCN) without the oxygen in-situ regulation. Consequently, the optimized S-ACN exhibits marked improvement in photocatalytic hydrogen evolution, by nearly 21.8 times compared with the bulk CN (ACN). The carbon-rich S-ACN with few-layer structures and copious in-plane holes displays an excellent photocatalytic activity due to the unique structural advantages for the synergistic effect of light absorption, abundant active sites, and efficient separation of photoproduced electron-hole pairs. It is a green and facile strategy for the fabrication of large-size holey few-layer nanosheets for the other transformations including organic synthesis process, environmental remediation, and CO 2 reduction. [ABSTRACT FROM AUTHOR]

Abstract Room temperature ionic liquids (RTILs) are known to exhibit high CO 2 solubility, which makes them interesting candidates for separation and purification of mixed gas streams. Particularly, RTILs based on imidazoles have shown very promising results. However, membranes of the corresponding poly(RT-IL)s are inherently brittle, which makes them too fragile for use in freestanding membranes. Therefore, copolymers of N-vinylimidazole (VIm) and butyl acrylate (BuA) were prepared, showing reactivity ratios of r BuA = 1.91–2.02 and r VIm = 0.094–0.10. The prepared copolymers of poly(VIm-co-BuA) with a copolymer composition of 24:76 had sufficiently low T g (−6.6 °C) and were flexible enough to be used for membrane preparation. The copolymer was quarternized and crosslinked in a one-pot reaction into thin film membranes employing a mixture of mono and difunctional alkyl halides. Membranes were prepared using a mixture of 1:8, 1:2 and 1:0 of 1,6-dibromohexane and 1-bromobutane, resulting in different degrees of crosslinking. The one-pot process additionally allows incorporation of up to 16 wt% free RTIL (BMIM Tf 2 N) in the 1:0 ratio membranes. All membranes were tested for CO 2 permeability (33.7–54.38 barrer), and for selectivity towards N 2 and CH 4. By varying the crosslinking degree, it was observed that CO 2 permeability increased with decreasing the degree of crosslinking. Finally, films prepared with free RTIL led to an improvement of the gas separation performance, with CO 2 permeability increased from 33.71 to 38.77 barrer and CO 2 /N 2 permselectivity increased from 20.81 to 27.82. Graphical abstract Image 1 Highlights • A range of poly(VIm-co-BuA) were prepared from 1-vinylimidazole and butyl acrylate. • Reactivity ratios of VIm and BuA were determined through NLLSQ and Kelen and Tüdos. • Poly(RT-IL) membranes were prepared by one-pot quarternization and cross linking. • Poly(RT-IL) membranes were tested for permeability, CO 2 /N 2 and CO 2 /CH 4 selectivity. [ABSTRACT FROM AUTHOR]

Graphical abstract Highlights • Computational model of Sr 3 MgSi 2 O 8−δ were built and investigated. • The generated oxygen vacancies tended to be spreading among the lattice. • The formation energy of oxygen vacancy when δ = 0.125 is about 12.00 eV. • This work is useful for understanding oxygen vacancy generation in Sr 3 MgSi 2 O 8−δ. Abstract The crystal structures, electronic structures and oxygen vacancy formation energy of Sr 3 MgSi 2 O 8 -Sr 3 MgSi 2 O 8−δ materials were investigated by the first-principles calculations. For the Sr 3 MgSi 2 O 8 , the band gap is calculated to be 4.99 eV. For the Sr 3 MgSi 2 O 8−δ , a new band overlapping the Femi level appeared between the conduction band (CB) and valence band (VB). The oxygen vacancy formation energy of Sr 3 MgSi2O 8−δ with δ = 0.125 has been calculated. The value is ∼12.00 eV. In addition, it can be found that the oxygen vacancies trended to be dispersing over the Sr 3 MgSi 2 O 8−δ lattice rather than getting together. [ABSTRACT FROM AUTHOR]

High-quality joints between titanium alloys and stainless steels have found applications for nuclear, petrochemical, cryogenic, and aerospace industries due to their relatively low cost, lightweight, high corrosion resistance, and appreciable mechanical properties. This article reviews diffusion bonding between titanium alloys and stainless steels with or without interlayers. For diffusion bonding of a titanium alloy and a stainless steel without an interlayer, the optimized temperature is in the range of 800–950°C for a period of 60–120 min. Sound joint can be obtained, but brittle FeTi and Fe-Cr-Ti phases are formed at the interface. The development process of a joint mainly includes three steps: matching surface closure, growth of brittle intermetallic compounds, and formation of the Kirkendall voids. Growth kinetics of interfacial phases needs further clarification in terms of growth velocity of the reacting layer, moving speed of the phase interface, and the order for a new phase appears. The influence of Cu, Ni (or nickel alloy), and Ag interlayers on the microstructures and mechanical properties of the joints is systematically summarized. The content of FeTi and Fe-Cr-Ti phases at the interface can be declined significantly by the addition of an interlayer. Application of multi-interlayer well prevents the formation of intermetallic phases by forming solid solution at the interface, and parameters can be predicted by using a parabolic diffusion law. The selection of multi-interlayer was done based on two principles: no formation of brittle intermetallic phases and transitional physical properties between titanium alloy and stainless steel. [ABSTRACT FROM AUTHOR]

A series of planar chiral cyclopalladated ferrocene compounds were synthesized and characterized. The absolute configurations of three compounds were determined by single-crystal X-ray analysis. The binding of the compounds with Native Calf Thymus DNA (CT-DNA) was monitored using UV-visible absorption spectrophotometry, fluorescence spectroscopy and circular dichroism (CD) studies. The results indicate that these compounds can interact with DNA via intercalation mode. In addition, the HSA interactions of these compounds were investigated using UV-visible absorption spectrophotometry and fluorescence spectroscopy. The results of fluorescence spectroscopy show that the fluorescence quenching mechanism of HSA is a static process. The cytotoxic activities of the synthesized compounds and cisplatin exhibited different inhibition potencies on the viability of MCF-7, HCT-116, MDA-MB-231 and Hela cancer cell lines. Compound ( R p, S ) - 6 was 17-fold more potent than cisplatin in breast cancer cells. [ABSTRACT FROM AUTHOR]

Graphical abstract Abstract Targeting Bcl-2 with ABT-199 (Venetoclax) shows limited single-agent activity against many cancers in both preclinical and clinical investigations. Combination therapies have attracted great attention. The principal purpose of this study was to investigate the mechanism of synergism between ABT-199 and paclitaxel. Moreover, we analyzed the biomarker to identify tumors which are most likely to respond to this combination. We evaluated the effect of this combination in a panel of nine cancer cell lines including cervical cancer, lung cancer, ovarian cancer, lymphoma, leukemia and breast cancer. Combination index (CI) assay showed that four of nine call lines exhibited synergistic respond to ABT-199/paclitaxel combination due to enhanced intrinsic apoptosis. However, paclitaxel-induced Bcl-2 phosphorylation impaired the synergistic effect by impeding the freeing of Bax and Bim by ABT-199 because ABT-199 cannot hit phosphorylated Bcl-2 (pBcl-2). By means of a correlation analysis of JNK level with CI value in combination with overexpressing or silencing JNK protein in cancer cells, we identified basal JNK1 level as a potential biomarker for predicting the level of pBcl-2 upon paclitaxel treatment, and thus for predicting a synergistic response. A cut-off value of 0.37 for relative JNK1 expression level was determined using receiver operating characteristic (ROC) analysis to distinguish between synergistic and non-synergistic response cancers. A more accurate and valid cut-off value for JNK1 will be gained based on a large-scale clinical samples analysis. [ABSTRACT FROM AUTHOR]

A high-sensitivity liquid concentration-sensing structure based on a phoxonic crystal slot nanobeam with gradient cavities is presented and its sensing properties are investigated using the finite element method. The proposed sensing structure, which can be made from either isotropic or anisotropic materials, can have excellent sensing properties that are designed via geometric optimization. We investigate the influences of various solution concentrations on electromagnetic and elastic wave transmission spectra. The results demonstrate that the introduction of gradient cavities can enable the system to avoid lattice mutation and reduce energy loss, thereby concentrating light and sound energy in the slot and holes, enhancing interactions between the electromagnetic and elastic waves, and improving sensitivity. It is worth noting that the sensing characteristics are related to the electric field distribution in the light sensor. That is, the sensitivity is better when more electric energy is distributed in the liquid-filled slot and holes. The sensitivity can reach 238.1 nm/RIU. The acoustic sensing properties are related to the solid–liquid interaction. This is especially true for the modal sensing characteristics, where the acoustic energy is concentrated on the solid–liquid interface. Therefore, greater interaction strength implies better sensitivity. The acoustic sensitivity can reach 3167 kHz/ms−1. The proposed structure provides acoustic and optical cross-checks for different types of solutions. This helps us to improve sensing accuracy and reduce sensing uncertainty. [ABSTRACT FROM AUTHOR]

Abstract Cyanobacterial blooms caused by water eutrophication have become a worldwide problem. During the degradation of toxic cyanobacterial blooms, elevated ammonia and microcystins concentrations co-occur and exert toxicity on fish. Up to now, the combined effect of microcystins and ammonia on fish immunotoxicity has not been reported. The present study investigated immune responses of blunt snout bream ( Megalabrama amblycephala ) to dietary toxic cyanobacteria and ammonia exposure. Megalobrama amblycephala were exposed to solutions with different concentrations of NH 3 –N (0, 0.06, 0.12 mg/L) and fed with diets containing 15% and 30% of toxic cyanobacteria lyophilized powder for 30 d. The microcystins concentration in different organs of Megalobrama amblycephala was in the following sequence: head kidney > liver > intestine > gonad > spleen > gill > trunk kidney > brain > muscle > heart. In both head kidney and spleen, the MC-LR and MC-RR concentration increased significantly with increasing NH 3 –N concentration. It indicates that NH 3 –N maybe promote the accumulation of microcystins in immune organs of Megalobrama amblycephala. Meanwhile, broadened peripheral interspace of lymphocytes, nucleus shrivel and edematous mitochondria were observed in head kidney lymphocyte of toxic treatment fish. Moreover, there were significant interactions between dietary toxic cyanobacteria and ammonia exposure on head kidney macrophage phagocytosis activity, respiratory burst activities, total number of white blood cells and the transcriptional levels of sIgM, mIgD and sIgZ genes. Our data clearly demonstrated that dietary toxic cyanobacteria combined with ammonia exposure showed a synergistic effect on Megalobrama amblycephala immunotoxicity. Highlights • The highest concentration of MCs was found in head kidney. • Chronic ammonia-N exposure could inhibit fish immunity severely. • NH 3 –N promoted the accumulation of microcystins. • NH 3 –N aggravated the harmful effect of cyanobacteria on lymphocytes of head kidney. • Cyanobacteria combined with NH 3 –N showed a synergistic effect on fish immunotoxicity. [ABSTRACT FROM AUTHOR]

Cu nanoparticles (NPs) are low-cost plasmonic metals and have been used for photocatalytic hydrogen evolution due to their surface plasmon resonance (SPR) effect. An efficient photocatalyst consisting of plasmonic Cu NPs on reduced graphene oxide (rGO) nanosheets support (Cu/rGO) is successfully prepared by a facile in-situ photoreduction process to form multiple nanoscale junctions for enhancement of photocatalytic hydrogen evolution. Compared to individual Cu NPs, the coupling to rGO nanosheets produces a higher photocatalytic ability with the highest H 2 evolution rate of 59 mmol g −1 h −1 for sample C , which contains 1.0 wt% of rGO nanosheets. The rGO nanosheet possesses an extremely high conductivity and, can accept and transfer photogenerated electrons with no barrier. Therefore, recombination of photoinduced charges can be efficiently suppressed and the accepted electrons can be rapidly transferred to reactive sites for H 2 evolution across its two-dimensional plane. More importantly, a near-infrared photocatalytic activity for sample C was obtained under monochromatic light irradiation at 800 and 900 nm due to the broad spectrum response of plasmonic Cu NPs. Furthermore, a possible reaction mechanism is proposed for the photocatalytic activity improvement as well as the detailed charge transfer condition. [ABSTRACT FROM AUTHOR]

Graphitic carbon nitride (CN) nanosheets have aroused a great deal of interest due to their capability to utilize visible light to split water into its constituent molecules of hydrogen and oxygen (H 2 and O 2 ). However, the photocatalytic capacity of conventional bulk g-C 3 N 4 , with its large π-π conjugated electronic system, is still constrained by the π-π stacking interaction and small number of active sites. Hence, an uncomplicated post-processing method to construct a different π-π conjugated electronic system of holey CN nanosheets using alkali etching of bulk CN (CN (B)) at 300 °C for 1 h has been developed. Among such compounds, the optimal alkali treatment bulk CN (CN 3(2)) exhibits a suitable conjugated system and copious in-plane holes, and it retains the ability to absorb sunlight during alkali depolymerization. Compared to CN (B), the resultant CN 3(2) has a distensible bandgap of 2.66 eV associated with a much larger specific surface area of 265.2 m 2 g −1 . However, excessive alkali treatment significantly decrease the visible light absorbance and the photocatalytic properties of the CN nanosheet, which demonstrated that a suitable π-π conjugated electronic system is very important in allowing the process to proceed. As such, the photocatalytic H 2 and O 2 production rate of CN 3(2) was nearly 24.6 times that of CN (B) with the addition of carbon quantum dots (CQDs) and Pt. [ABSTRACT FROM AUTHOR]

Dehydrogenative coupling of cyclic enones with heteroarenes has been a longstanding challenge because of the competitive ketone dehydrogenation and conjugated addition. Herein, a dehydrogenative coupling reaction of cyclic enones of different sizes with substituted thiophenes to construct β-thienyl cyclic enone compounds through palladium-catalyzed C–H functionalization under mild reaction conditions is reported. Simple substituted thiophenes with different functional groups can be directly introduced into cyclic enones with predominant regioselectivity at the α position of thiophene moieties and excellent functional group tolerance. Further molecular transformations of the coupling products to synthetically useful meta-heteroarylated phenol derivatives have also been demonstrated. [ABSTRACT FROM AUTHOR]