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[Display omitted] • The density functional theory was applied to provide reasonable theoretical explanations for the cis–trans pesticides. • The relative abundance ratio at different energy-resolved mass spectrometry of isomeric pesticides were analyzed. • Collision-induced dissociation experimentswere performed to reveal the fragmentation rules on different types of isomers. Pesticide isomers are widely present in agricultural production, while their biological activity, efficacy, and toxicity may vary significantly. Due to structural similarity, chromatographic and mass spectrometric analysis of isomeric pesticides are challenging. In this experiment, representative isomeric pesticides with great differences in toxicity and maximum residue limits among countries were studied. Based on collision-induced dissociation (CID) of high-resolution mass spectrometry, the fragmentation pathways of substituent position isomer, functional group position isomer, carbon frame isomer, functional group isomer, and cis–trans isomer were analyzed to attribute fragment ions. In addition, for the isomers with the same product ions and different abundance ratios, the abundance differences at different energy-resolved mass spectrometry were analyzed, which was combined with the computational chemical density functional theory to simulate the specific process of fragmentation and to explain the reasons for the differences in fragment ions and abundance ratios. Based on the above study, a high-resolution mass spectrometry method was established for the separation and analysis of pesticide isomers. Twelve pesticide isomers were distinguished by retention time, fragment ions, and relative abundance ratio. This method was applied to the detection of real fruit and vegetable samples. [ABSTRACT FROM AUTHOR]

The Wufeng-Longmaxi Formations are the focus of shale gas exploration in China. Their sedimentation is affected by global and regional geological events, and the resulting heterogeneity hinders the expansion of exploration results. This study combines logging, mineralogy, and geochemistry to reconstruct the sedimentary mechanisms of shale in the southern Sichuan Basin and discusses its implications for exploration. The shale can be divided into third-order sequences, in which the Wufeng Formation and lower Long-1 Member are transgressive systems tracts (TST1 and TST2), and the Guanyinqiao Member and the middle-upper Long-1 Member are highstand systems tracts (HST1 and HST2). Volcanic eruption and glaciation evolution are the driving factors of the sedimentary environment during the TST. The area is in a cold-warm climate, characterized by anoxic conditions, slow sedimentation, booming productivity, and low terrigenous influx, thereby depositing four types of siliceous shale. The siliceous shale is rich in biogenic microcrystalline quartz and high TOC, which are the keys to becoming the "sweet spot" of shale gas. Microcrystalline quartz fills the intergranular pores to support the entire pore network framework. The organic matter undergoes thermal evolution to produce abundant organic matter pores, which constitute the main place for adsorbed gas and free gas. For the highstand systems tract, HST1 is the product of the peak of glaciation, mainly composed of calcareous shale and carbonate rocks. The sedimentation of HST2 is affected by turbidity currents and violent orogeny. The area is in a warm climate, characterized by high terrigenous influx, dysoxic-oxic conditions, medium productivity and rapid sedimentation rates. The lithofacies gradually changed from siliceous shale to mixed shale and argillaceous shale. Excessive clay minerals and low TOC make it difficult for HST2 to realize the commercial development of shale gas. • The Wufeng Formation-Long 1 Member was divided into two 3rd sequences, and four geological events were identified. • Volcanism and postglaciation created conditions for the enrichment of organic matter and microcrystalline quartz. • Kwangsian Orogeny and turbidity currents led to the formation of organic-poor shale. [ABSTRACT FROM AUTHOR]

Pushen capsule is a traditional Chinese medicine compound functioning as 'stimulating blood circulation to remove blood stasis', which widely used to treat hyperlipidemia. Recent clinical research showed that Pushen capsule ameliorated cognitive function in patients with vascular mild cognitive impairment. Explore the potential mechanism of Pushen capsule in vascular dementia (VaD) using network pharmacology analysis and experimental verification. Active ingredients and their related targets of Pushen capsule, and VaD-related targets were searched in public databases. Core targets, potential functions and mechanisms of Pushen capsule on VaD were predicted by protein-protein interaction (PPI), Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) analyses. In vivo experiments were conducted to demonstrate the potential mechanisms of Pushen capsule in the treatment of VaD. In total, 155 active ingredients, 273 related targets of Pushen capsule, and 1035 VaD-related targets were selected from the public databases. 147 common targets of Pushen capsule against VaD were obtained. The PPI network, GO and KEGG enrichment analyses revealed that some core targets and signaling pathways are related to inflammation. The experimental results showed that Pushen capsule treatment largely alleviated hippocampal glial activation, accelerated the polarization of activated microglia from the M1 to the M2 phenotype and reduced associated inflammatory factor expression to protect against VaD-induced neuronal loss, synaptic protein reduction and cognitive defects in a dose-dependent manner. Moreover, Pushen capsule reduced the mRNA expression of NF-κB p65; and STAT1. Our study demonstrates that Pushen capsule alleviates hippocampal neuroinflammation to protect against VaD-induced cognitive impairment in a dose-dependent manner. The neuroprotective effect of Pushen capsule on VaD might be regulated by the NF-κB; and JAK-STAT pathway. [Display omitted] [ABSTRACT FROM AUTHOR]

The Leikoupo Formation, which was deposited during the Anisian stage in the central Sichuan Basin, has produced significant amounts of conventional gas but there have been few studies on its unconventional resources. Organic-rich shale in the Leikoupo Formation was discovered for the first time in the wells of CT1 and JY1 in the central Sichuan region, but information on its sedimentary environment and climate evolution is scarce. A series of lithofacies, organic geochemistry and inorganic geochemistry analyses were used to analyse core samples of CT1 and JY1 to estimate their vertical changes. The organic matter characteristics, the sedimentary environment and the factors controlling the Leikoupo Formation shale in the Sichuan basin were revealed. The organic-rich shale of the Lei3-2 sub-member was formed in a semi-restricted lagoon environment. The sedimentary environment was dysoxic-anoxic, with high palaeoproductivity, a warm and humid to semi-arid and semi-humid climate. The vertical sea level decreased for a short period, led to an increase in oxygen content in the mixed shale, clayey shale and calcareous shale that were sequentially deposited from bottom to top. In the vertical direction, the palaeo-productivity and aridity decreased, and there was an increase in the salinity and terrigenous debris input. All of these corresponded well with TOC. According to Mo-TOC and Mo–U patterns, the mixed shale was characterised by the highest values of Mo EF , U EF and Mo EF /U EF , followed by clayey shale and calcareous shale, which indicated mixed shale was deposited in a moderately restricted water condition, which progressively became more restricted during the deposition of clayey shale and calcareous shale with the fall of relative sea level. Biomarker compounds (steranes, terpanes), Tmax and other pyrolysis parameters indicated that the organic matter had reached the stage of high-to over-maturity. The gammacerane to C 30 hopane in the ratio indicated that it was the bottom water in which it was deposited was sratified. • The first discovery of Lei3-2 sub-member shale in the Sichuan Basin. • The shale has good original hydrocarbon generation potential. • The shale was formed in a semi-confined environment. • Lithological changes reflect variations in sedimentary environment and sea level. [ABSTRACT FROM AUTHOR]

n -Pentanol is acknowledged as a prospective alternative and a supplement to traditional fossil fuels. H-abstraction reaction assumes a pivotal role in initiating the chain reaction during n -pentanol combustion. To investigate the oxidation characteristics of n -pentanol, the composite quantum chemical methods CBS-QB3 and G4 are employed to obtain thermochemical and kinetic parameters in the H-abstraction reaction of n -pentanol. The calculated isobaric heat capacity provides accurate predictions of the experimental results. Branching ratios underscore that H-abstraction at the C α site serves as the primary channel between n -pentanol and Ḣ/ĊH 3 /ȮH 2 . For the reaction between n -pentanol and ȮH, the C β site emerges as the most favorable channel due to the significant variational effect. The overall rate coefficient for H-abstraction from n -pentanol by ȮH radicals is expressed as k = 3565.11 × T 2.93 exp (1465.44/ T ) (cm 3 mol -1 s -1 ), and the data obtained at the CBS-QB3 level demonstrate good agreement with experimental observations. Furthermore, the original model is modified based on current results, and the improved model demonstrates superior predictive capabilities for jet-stirred reactor (JSR) data and ignition delay times. Reaction path and sensitivity analyses are employed to identify fuel consumption pathways and critical reactions in the combustion of n -pentanol.

Background: Food allergy (FA) is a common disorder in children and affects the health of children worldwide. The gut microbiota is closely related to the occurrence and development of FA. Fecal microbiota transplantation (FMT) is a way to treat diseases by reconstituting the microbiota; however, the role and mechanisms of FA have not been validated., Methods: In this study, we established an ovalbumin (OVA)-induced juvenile mouse model and used 16S RNA sequencing, pathological histological staining, molecular biology, and flow-through techniques to evaluate the protective effects of FMT treatment on FA and to explore the mechanisms., Results: OVA-induced dysregulation of the gut microbiota led to impaired intestinal function and immune dysregulation in FA mice. FMT treatment improved the structure, diversity, and composition of the gut microbiota and restored it to a near-donor state. FMT treatment reduced levels of Th2-associated inflammatory factors, decreased intestinal tissue inflammation, and reduced IgE production. In addition, FMT reduced the number of mast cells and eosinophils and suppressed OVA-specific antibodies. Further mechanistic studies revealed that FMT treatment induced immune tolerance by inducing the expression of CD103 + DCs and programmed cell death ligand 1 (PD-L1) in mesenteric lymph nodes and promoting the production of Treg through the programmed cell death protein 1 (PD-1)/PD-L1 pathway. Meanwhile, Th2 cytokines, OVA-specific antibodies, and PD-1/PD-L1 showed a significant correlation with the gut microbiota., Conclusions: FMT could regulate the gut microbiota and Th1/Th2 immune balance and might inhibit FA through the PD-1/PD-L1 pathway, which would provide a new idea for the treatment of FA., Competing Interests: Nothing to declare., (© 2024 The Authors.)

Among the fascinating phenomena observed in two-dimensional (2D) magnets, the magneto-exciton effect stands out as a pivotal link between optics and magnetism. Although the excitonic effect has been revealed and exhibits a considerable correlation with the spin structures in certain 2D magnets, the underlying mechanism of the magneto-exciton effect remains underexplored, especially under high magnetic fields. Here we perform a systematic investigation of the spin-exciton coupling in 2D antiferromagnetic NiPS 3 under high magnetic fields. When an in-plane magnetic field is applied, the exceptional sharp excitonic emission at ~1.4756 eV exhibits a Zeeman-like splitting with g ≈ 2.0, experimentally identifying the exciton as an excitation of dominant triplet-singlet character. By examining the polarization of excitonic emission and simulating the spin evolution, we further verify the correlation between excitonic emission and Néel vector in NiPS 3 . Our work elucidates the mechanism behind the spin-exciton coupling in NiPS 3 and establishes a strategy for optically probing the spin evolutions in 2D magnets., (© 2024. The Author(s).)

Diabetic kidney disease (DKD) is a leading factor in end-stage renal disease. The complexity of its pathogenesis, combined with the limited treatment efficacy, necessitates deeper insights into potential causes. Studies suggest that ferroptosis-driven renal tubular damage contributes to DKD's progression, making its counteraction a potential therapeutic strategy. Quercetin, a flavonoid found in numerous fruits and vegetables, has demonstrated DKD mitigation in mouse models, though its protective mechanism remains ambiguous. In this study, we delved into quercetin's potential anti-ferroptotic properties, employing a DKD rat model and high glucose (HG)-treated renal tubular epithelial cell models. Our findings revealed that HG prompted unusual ferroptosis activation in renal tubular epithelial cells. However, quercetin counteracted this by inhibiting ferroptosis and activating NFE2-related factor 2 (Nrf2) expression in both DKD rats and HG-treated HK-2 cells, indicating its renal protective role. Further experiments, both in vivo and in vitro , validated that quercetin stimulates Nrf2. Thus, our research underscores quercetin's potential in DKD treatment by modulating the ferroptosis process via activating Nrf2 in a distinct DKD rat model, offering a fresh perspective on quercetin's protective mechanisms.

High-energy exciton emission could allow single-component multi-colour display or white light-emitting diodes. However, the thermal relaxation of high-energy excitons is much faster than the photon emission of them, making them non-emissive. Here, we report quantum dots with light hole-heavy hole splitting exhibiting strong high-energy exciton electroluminescence from high-lying light holes, opening a gate for high-performance multi-colour light sources. The high-energy electroluminescence can reach 44.5% of the band-edge heavy-hole exciton emission at an electron flux density Φ e of 0.71 × 10 19  s -1 cm -2 - 600 times lower than the photon flux density Φ p (4.3 × 10 21  s -1 cm -2 ) required for the similar ratio. Our simulation and experimental results suggest that the oscillator strength of heavy holes reduces more than that of light holes under electric fields. We attribute this as the main reason for strong light-hole electroluminescence. We observe this phenomenon in both Cd x Zn 1-x Se-ZnS and CdSe-CdS core-shell quantum dots exhibiting large light hole-heavy hole splittings., (© 2024. The Author(s).)

In this study, a series of nano-TiO 2 composite materials, including nano-TiO 2 , nano-SnO 2 /TiO 2 , nano-SiO 2 /TiO 2 , and nano-Fe 2 O 3 /TiO 2 , were successfully synthesized via the gaseous detonation method. Comprehensive characterization of the synthesized samples was carried out through X-ray diffraction (XRD), transmission electron microscopy/high-resolution TEM (TEM/HRTEM), scanning electron microscopy/energy-dispersive X-ray spectroscopy (SEM/EDS), Brunauer-Emmett-Teller (BET) method, and Fourier transform infrared (FTIR) analysis, which unveiled the significant influence of precursor types on the microstructure of the composite materials. Specifically, the incorporation of Sn 4+ promoted the transformation of TiO 2 to the rutile phase, reducing particle sizes from 25 to 19 nm and increasing the specific surface area from 44 to 86 m 2 /g. In contrast, the introduction of SiO 2 impeded the rutile phase formation, leading to a marked reduction in particle size to 14 nm and an enhancement of the specific surface area to 104 m 2 /g. Furthermore, the presence of Fe 3+ promoted the formation of the rutile phase and enabled particle growth to 44 nm. These findings not only deepen the understanding of structural control in the synthesis of nano-TiO 2 composite materials via the gaseous detonation method but also highlight the critical role of precursor selection in determining the properties of the resulting materials., Competing Interests: The authors declare no competing financial interest., (© 2024 The Authors. Published by American Chemical Society.)

Objective: Microglial polarization plays a critical role in neuroinflammation and may be a potential therapeutic target for ischemic stroke. This study was to explore the role and underlying molecular mechanism of Circular RNA PTP4A2 (circPTP4A2) in microglial polarization after ischemic stroke., Methods: C57BL/6J mice underwent transient middle cerebral artery occlusion (tMCAO), while primary mouse microglia and BV2 microglial cells experienced oxygen glucose deprivation/reperfusion (OGD/R) to mimic ischemic conditions. CircPTP4A2 shRNA lentivirus and Colivelin were used to knock down circPTP4A2 and upregulate signal transducer and activator of transcription 3 (STAT3) phosphorylation, respectively. Microglial polarization was assessed using immunofluorescence staining and Western blot. RNA pull-down and RNA binding protein immunoprecipitation (RIP) were applied to detect the binding between circPTP4A2 and STAT3., Results: The levels of circPTP4A2 were significantly increased in plasma and peri-infarct cortex in tMCAO mice. CircPTP4A2 knockdown reduced infarct volume, increased cortical cerebral blood flow (CBF), and attenuated neurological deficits. It also decreased pro-inflammatory factors levels in peri-infarct cortex and plasma, and increased anti-inflammatory factors concentrations 24 h post-stroke. In addition, circPTP4A2 knockdown suppressed M1 microglial polarization and promoted M2 microglial polarization in both tMCAO mice and OGD/R-induced BV2 microglial cells. Moreover, circPTP4A2 knockdown inhibited the phosphorylation of STAT3 induced by oxygen-glucose deprivation. In contrast, increased phosphorylation of STAT3 partly counteracted the effects of circPTP4A2 knockdown. RNA pull-down and RIP assays further certified the binding between circPTP4A2 and STAT3., Conclusion: These results revealed regulatory mechanisms of circPTP4A2 that stimulated neuroinflammation by driving STAT3-dependent microglial polarization in ischemic brain injury. CircPTP4A2 knockdown reduced cerebral ischemic injury and promoted microglial M2 polarization, which could be a novel therapeutic target for ischemic stroke., (© 2023 The Authors. CNS Neuroscience & Therapeutics published by John Wiley & Sons Ltd.)

Atopic dermatitis is one of the most common dermatologic problems, especially in children. Given the ability of symbiotic microorganisms in modulating the immune system, probiotics administration has been studied in previous research in the management of atopic dermatitis. However, there are conflicting results between studies. In this study, we aimed to assess the effectiveness of mixed probiotics as a treatment option for atopic dermatitis induced by ovalbumin. BALB/c juvenile mice were classified and divided into the ovalbumin group, mixed probiotic group (ovalbumin + LK), and control group. Except for the control group, all mice were sensitized with ovalbumin to establish a model of atopic dermatitis. The mixed probiotics were given by gavage for 14 days. Mice body weight, skin lesions, skin inflammation, ovalbumin-specific Ig, the number of Treg and CD103 + DC, and the expression level of PD-1/PD-L1 were examined. The results showed that mixed probiotics can improve body weight and alleviate skin symptoms. Mixed probiotics reduced serum Th2 inflammatory factors, eosinophils, mast cell degranulation, mast cell count, and the expression of ovalbumin-specific immunoglobulin E/G1 and increased the anti-inflammatory cytokine interleukin-10, Treg cells, CD103 + DC cells, and the expression level of PD-1/PD-L1. These findings suggest that mixed probiotics could be a viable treatment option for atopic dermatitis and provide insight into the underlying mechanisms involved., Competing Interests: The authors declare that they have no conflicts of interest., (Copyright © 2024 Jinli Huang et al.)

Enhancing the quality of junctions is crucial for optimizing carrier extraction and suppressing recombination in semiconductor devices. In recent years, metal halide perovskite has emerged as the most promising next-generation material for optoelectronic devices. However, the construction of high-quality perovskite junctions, as well as characterization and understanding of their carrier polarity and density, remains a challenge. In this study, using combined electrical and spectroscopic characterization techniques, we investigate the doping characteristics of perovskite films by remote molecules, which is corroborated by our theoretical simulations indicating Schottky defects consisting of double ions as effective charge dopants. Through a post-treatment process involving a combination of biammonium and monoammonium molecules, we create a surface layer of n-type low-dimensional perovskite. This surface layer forms a heterojunction with the underlying 3D perovskite film, resulting in a favorable doping profile that enhances carrier extraction. The fabricated device exhibits an outstanding open-circuit voltage ( V OC ) up to 1.34 V and achieves a certified efficiency of 19.31% for single-junction wide-bandgap (1.77 eV) perovskite solar cells, together with significantly enhanced operational stability, thanks to the improved separation of carriers. Furthermore, we demonstrate the potential of this wide-bandgap device by achieving a certified efficiency of 27.04% and a V OC of 2.12 V in a perovskite/perovskite tandem solar cell configuration., (© The Author(s) 2024. Published by Oxford University Press on behalf of China Science Publishing & Media Ltd.)

In response to the limited capability of extracting semantic information in knowledge graph completion methods, we propose a model that combines spatial transformation and attention mechanisms (STAM) for knowledge graph embedding. Firstly, spatial transformation is applied to reorganize entity embeddings and relation embeddings, enabling increased interaction between entities and relations while preserving shallow information. Next, a two-dimensional convolutional neural network is utilized to extract complex latent information among entity relations. Simultaneously, a multi-scale channel attention mechanism is constructed to enhance the capture of local detailed features and global semantic features. Finally, the surface-level shallow information and latent information are fused to obtain feature embeddings with richer semantic expression. The link prediction results on the public datasets WN18RR, FB15K237 and Kinship demonstrate that STAM achieved improvements of 8.8%, 10.5% and 6.9% in the mean reciprocal rank (MRR) evaluation metric compared to ConvE, for the respective datasets. Furthermore, in the link prediction experiments on the hydraulic engineering dataset, STAM achieves better experimental results in terms of MRR, Hits@1, Hits@3 and Hits@10 evaluation metrics, demonstrating the effectiveness of the model in the task of hydraulic engineering knowledge graph completion.

Local chemotherapy is an alternative therapeutic strategy that involves direct delivery of drugs to the tumor site. This approach avoids adverse reactions caused by the systemic distribution of drugs and enhances the tumor-suppressing effect by concentrating the drugs at the tumor site. Drug-loaded microspheres are injectable sustained-release drug carriers that are highly suitable for local chemotherapy. However, a complex preparation process is one of the main technical difficulties limiting the development of microsphere formulations. In this study, core-shell structured microspheres loaded with paclitaxel (PTX; with a core-shell structure, calcium alginate outer layer, and a poly (lactic acid-co-glycolic acid) copolymer inner layer, denoted as PTX-CA/PLGA-MS) were prepared using coaxial electrostatic spray technology and evaluated in vitro and in vivo. PTX-CA/PLGA-MS exhibited a two-stage drug release profile and enhanced anti-tumor effect in animal tumor models. Importantly, the preparation method reported in this study is simple and reduces the amount of organic solvent(s) used substantially.

Incorporating plasticizers is an effective way to facilitate conduction of ions in solid polymer electrolytes (SPEs). However, this conductivity enhancement often comes at the cost of reduced mechanical properties, which can make the electrolyte membrane more difficult to process and increase safety hazards. Here, a novel crosslinking strategy, wherein metal-alkoxy-terminated polymers can be crosslinked by precisely controlling the content of H 2 O as an initiator, is proposed. As a proof-of-concept, trimethylaluminum (TMA)-functionalized poly(ethylene oxide) (PEO) is used to demonstrate that ultrafine Al-O nanoclusters can serve as nodes to crosslink PEO chains with a wide range of molecular weights from 10 000 to 8 000 000 g mol -1 . The crosslinked polymer network can incorporate a high concentration of plasticizers, with a total weight percentage over 75%, while still maintaining excellent stretchability (4640%) and toughness (3.87 × 10 4  kJ m -3 ). The resulting electrolyte demonstrates high ionic conductivity (1.41 mS cm -1 ), low interfacial resistance toward Li metal (48.1 Ω cm 2 ), and a wide electrochemical window (>4.8 V vs Li + /Li) at 30 °C. Furthermore, the LiFePO 4 /Li battery shows stable cycle performance with a capacity retention of 98.6% (146.3 mAh g -1 ) over 1000 cycles at 1C (1C = 170 mAh g -1 ) at 30 °C., (© 2023 Wiley-VCH GmbH.)

Objective: Accumulating studies have shown that circulating circular RNAs (circRNAs) represent novel biomarkers for many human diseases. We investigated whether plasma circPTP4A2 and circTLK2 levels are associated with stroke severity, infarct volume, stroke etiology, and functional outcome in acute ischemic stroke (AIS) patients., Methods: We applied quantitative real-time PCR (qPCR) to measure plasma circPTP4A2 and circTLK2 levels of 236 AIS patients within 72 h of symptoms onset and 136 healthy controls. We further assessed the National Institutes of Health Stroke Scale (NIHSS), infarct size, the Trial of Org 10172 in Acute Stroke Treatment (TOAST) classification and the 90-day modified Rankin scale (mRS) for each patient., Results: At admission, plasma circPTP4A2 and circTLK2 levels in patients with moderate to severe stroke were significantly higher compared to those with mild stroke. Logistic regression and receiver-operating characteristic (ROC) curve analyses indicated that they might function as predictive biomarkers for moderate to severe stroke. We also observed a medium positive correlation between these two circRNAs and NIHSS. Plasma circPTP4A2 and circTLK2 levels were slight positively correlated with cerebral infarct volume only in anterior circulation infarction (ACI) patients. Levels of both circPTP4A2 and circTLK2 were closely related with large artery atherosclerosis (LAA) stroke. Moreover, changes within 7 days after admission in circPTP4A2 and circTLK2 were able to predict unfavorable clinical outcome 90 days after AIS., Interpretation: These results demonstrate that plasma circPTP4A2 and circTLK2 strongly correlated with severity, subtypes and prognosis of AIS, and they could serve as promising biomarkers., (© 2023 The Authors. Annals of Clinical and Translational Neurology published by Wiley Periodicals LLC on behalf of American Neurological Association.)

High-voltage lithium cobalt oxide (LiCoO 2 ) has the highest volumetric energy density among commercial cathode materials in lithium-ion batteries due to its high working voltage and compacted density. However, under high voltage (4.6 V), the capacity of LiCoO 2 fades rapidly due to parasitic reactions of high-valent cobalt with the electrolyte and the loss of lattice oxygen at the interface. In this study, we report a temperature-driven anisotropic doping phenomenon of Mg 2+ that results in surface-populated Mg 2+ doping to the side of the (003) plane of LiCoO 2 . Mg 2+ dopants enter the Li + sites, lower the valence state of Co ions with less hybridization between the O 2p and Co 3d orbitals, promote the formation of surface Li + /Co 2+ anti-sites, and suppress lattice oxygen loss on the surface. As a result, the modified LiCoO 2 demonstrates excellent cycling performance under 4.6 V, reaching an energy density of 911.2 Wh/kg at 0.1C and retaining 92.7% (184.3 mAh g -1 ) of its capacity after 100 cycles at 1C. Our results highlight a promising avenue for enhancing the electrochemical performance of LiCoO 2 by anisotropic surface doping with Mg 2+ .

The safety of traditional Chinese medicine (TCM) has garnered considerable interest worldwide. In this study, a high-throughput method for the determination of 255 pesticide residues in decoctions of Radix Codonopsis and Angelica sinensis was developed using liquid chromatography-time-of-flight/mass spectrometry. The methodological verification demonstrated the accuracy and reliability of this method. The frequently detected pesticides in Radix Codonopsis and Angelica sinensis were determined to build a correlation between pesticide properties and the transfer rate of pesticide residues in their decoctions. Water solubility (WS) with a higher correlation coefficient ( R ) made a significant contribution to the accuracy of the transfer rate prediction model. The regression equations for Radix Codonopsis and Angelica sinensis were T = 13.64 log WS + 10.56 with a correlation coefficient ( R ) of 0.8617 and T = 10.66 log WS + 25.48 with a correlation coefficient ( R ) of 0.8072, respectively. This study provides preliminary data on the potential risk of exposure to pesticide residues in Radix Codonopsis and Angelica sinensis decoctions. Furthermore, as a case study on root TCM, this approach may serve as a model for other TCMs.

Background and Objectives: The benefits of physical activity (PA) for asthmatic children were increasingly recognized, and as the design of studies on PA and asthma has become more refined in recent years, the latest evidence needed to be updated. We performed this meta-analysis to synthesize the evidence available from the last 10 years to update the effects of PA in asthmatic children., Methods: A systematic search was conducted in three databases, PubMed, Web of Science, and Cochrane Library. Randomized controlled trials were included, and two reviewers independently conducted the inclusion screening, data extraction, and bias assessment., Results: A total of 9 studies were included in this review after 3,919 articles screened. PA significantly improved the forced vital capacity (FVC) (MD 7.62; 95% CI: 3.46 to 11.78; p  < 0.001), and forced expiratory flow between 25% and 75% of forced vital capacity (FEF 25-75 ) (MD 10.39; 95% CI: 2.96 to 17.82; p  = 0.006) in lung function. There was no significant difference in forced expiratory volume in the first second (FEV 1 ) (MD 3.17; 95% CI: -2.82 to 9.15; p  = 0.30) and fractional exhaled nitric oxide (FeNO) (MD -1.74; 95% CI: -11.36 to 7.88; p  = 0.72). Also, PA significantly improved the quality of life as assessed by the Pediatric Asthma Quality of Life Questionnaire (all items p  < 0.05)., Conclusions: This review suggested that PA could improve FVC, FEF 25-75 , and quality of life in asthmatic children, but there was insufficient evidence of improvement in FEV 1 and airway inflammation., Systematic Review Registration: https://www.crd.york.ac.uk/PROSPERO/, identifier: CRD42022338984., Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (© 2023 Jing, Wang, Zhang, Huang, Jia, Zhang, Wu and Sun.)

Cross-modal hashing, favored for its effectiveness and efficiency, has received wide attention to facilitating efficient retrieval across different modalities. Nevertheless, most existing methods do not sufficiently exploit the discriminative power of semantic information when learning the hash codes while often involving time-consuming training procedure for handling the large-scale dataset. To tackle these issues, we formulate the learning of similarity-preserving hash codes in terms of orthogonally rotating the semantic data, so as to minimize the quantization loss of mapping such data to hamming space and propose an efficient fast discriminative discrete hashing (FDDH) approach for large-scale cross-modal retrieval. More specifically, FDDH introduces an orthogonal basis to regress the targeted hash codes of training examples to their corresponding semantic labels and utilizes the ε -dragging technique to provide provable large semantic margins. Accordingly, the discriminative power of semantic information can be explicitly captured and maximized. Moreover, an orthogonal transformation scheme is further proposed to map the nonlinear embedding data into the semantic subspace, which can well guarantee the semantic consistency between the data feature and its semantic representation. Consequently, an efficient closed-form solution is derived for discriminative hash code learning, which is very computationally efficient. In addition, an effective and stable online learning strategy is presented for optimizing modality-specific projection functions, featuring adaptivity to different training sizes and streaming data. The proposed FDDH approach theoretically approximates the bi-Lipschitz continuity, runs sufficiently fast, and also significantly improves the retrieval performance over the state-of-the-art methods. The source code is released at https://github.com/starxliu/FDDH.

Introduction: Medication persistence has rarely been studied for integrase strand transfer inhibitor (INSTI)-based regimens among patients living HIV (PLWH) in Asia. This study investigated medication persistence for newly prescribed INSTI-based regimens in Japan by comparing single-tablet regimens (STRs) versus multiple-tablet regimens (MTRs), based on the Medical Data Vision database., Methods: Adult PLWH with ≥2 claims for antiretroviral therapy (ART) of interest between 1 January 2017 and 30 June 2018 were included if they had a ≥3-month continuous enrolment prior to the index date and a ≥6-month follow-up after the index date. Medication persistence was measured as the duration from initiation to discontinuation of the prescribed INSTI-based regimen., Results: Overall, 487 patients were included, with 220 in the STR cohort and 267 in the MTR cohort. Persistence was longer in the STR cohort than in the MTR cohort (mean days on the index regimens: 384.2 vs. 317.3, P < 0.001). MTRs were associated with a higher risk of discontinuation than STRs (hazard ratio [HR], 1.72; 95% confidence interval [CI], 1.18-2.52; P = 0.005). Other factors that were associated with discontinuation were backbone (emtricitabine/tenofovir disoproxil fumarate vs. emtricitabine/tenofovir alafenamide: HR, 5.64; 95% CI, 3.68-8.66; P < 0.001), third agent (raltegravir vs. elvitegravir/cobicistat: HR, 2.06; 95% CI, 1.10-3.86; P = 0.024), age (HR, 1.02; 95% CI, 1.01-1.03; P = 0.007), and the number of non-ART index medications (HR, 1.16; 95% CI, 1.12-1.21; P < 0.001)., Conclusions: Among PLWH newly prescribed an INSTI-based regimen in Japan, STRs were associated with longer persistence than MTRs., Competing Interests: Declaration of competing interest X. W. was an employee of Gilead Sciences. L. S. is an employee of StatinMED Research. T. N. has received consulting fees from Gilead Sciences., (Copyright © 2022 Japanese Society of Chemotherapy and The Japanese Association for Infectious Diseases. Published by Elsevier Ltd. All rights reserved.)

Inflammation and glomerular endothelial dysfunction promote diabetic kidney disease (DKD) progression, but the mechanisms are not fully understood. Allograft inflammatory factor-1 (AIF-1) is a protein that regulates inflammatory reactions and immune responses. This study aimed to explore the mechanism of AIF-1 in a DKD animal model and mouse renal glomerular endothelial cells (MRGECs). We injected AIF-1-shRNA into the tail vein to knockdown AIF-1 in db/db mice. Metabolic index, renal pathological changes and inflammatory factors were measured in each group. Lentiviral transfection was used to overexpress AIF-1 in MRGECs. Inflammatory factors, oxidative stress and nuclear factor-κB (NF-κB) pathway-related proteins were examined. AIF-1 expression was upregulated in glomerular endothelial cells in renal tissues of db/db mice. Knockdown of AIF-1 reversed kidney injury and renal inflammation in db/db mice. In a 30 mM high-glucose environment, overexpression of AIF-1 in MRGECs activated the NF-κB pathway and induced inflammation and oxidative stress. Moreover, this damage could be attenuated by the addition of an NF-κB inhibitor (BAY 11-7082). In conclusion, AIF-1 facilitates glomerular endothelial cell inflammation and oxidative stress in DKD via the NF-κB signaling pathway. Our results provide evidence for the molecular mechanism of DKD and may offer a potential target for DKD treatment., (Copyright © 2022 Elsevier Inc. All rights reserved.)

Increasing evidence suggests that aldosterone (Aldo) plays an essential role in vascular calcification which is a serious threat to cardiovascular disease (CVD) developed from chronic kidney disease (CKD). However, the exact pathogenesis of vascular calcification is still unclear. First, we established CKD-associated vascular calcification mice model and knockout mice model to investigate the causal relationship between allograft inflammatory factor 1 (AIF-1) and vascular calcification. Then, endothelial cells (ECs) and vascular smooth muscle cells (VSMCs) co-culture experiments were performed to further explore the mechanisms of calcification. The results of the Aldo intervention mice model and transgenic mice model showed that Aldo could cause calcification by increasing the AIF-1 level. The results of in vitro co-culture model of ECs and VSMCs showed that AIF-1 silence in ECs may alleviate Aldo-induced calcification of VSMCs. In conclusion, our study indicated that Aldo may induce vascular calcification related to chronic renal failure via the AIF-1 pathway which may provide a potential therapeutic target., Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (Copyright © 2022 Chang, Hao, Wang, Liu, Ni and Hao.)

Informal landfill is a common waste treatment method employed in rural areas of China, and phthalic acid esters (PAEs) are one of the typical pollutants in landfill leachate. However, there is no corresponding theoretical basis for whether microbial treatment technology can be used to reduce environmental risk of PAEs in informal landfills. Thus, a typical informal landfill site in northern China was selected and approximately 1,133,023 effective sequences were obtained from 21 samples collected from three layers (different deposit depths) of the landfill. This research explored the correlation between PAEs and the composition and distribution of microbial community in specific environments of informal landfill sites. Here we found that dis(2-ethylhexyl) phthalate (DEHP), di-n-octyl phthalate (DOP), and diethyl phthalate (DEP) were positively and significantly correlated with Bhargavaea, Planococcus, Virgibacillus, and Oceanobacillus, respectively. The redundancy analysis demonstrated that moisture content, pH, N O 2 - - N , and SUVA254 among the seven physicochemical factors (pH, TN, N O 3 - - N , N O 2 - - N , N H 4 + - N , SUVA254, and moisture content) significantly affected bacterial communities. The research conclusion can provide theoretical basis for the degradation technology of PAEs by microorganism and research basis for the treatment of informal landfill sites.

Allergy is a hypersensitivity reaction triggered by specific cell or antibody-mediated immune mechanisms. Allergies have increased in industrialized countries in recent decades. The rise in allergic respiratory diseases such as allergic rhinitis (AR) and allergic asthma (AA) is a potential threat to public health. Searches were conducted using PubMed, Google Scholar and Medline using the following key terms: allergic rhinitis OR asthma AND probiotics, allergic airway inflammation AND immune disorders, probiotics OR gut microbiota AND allergic disease, probiotics AND inflammatory. Studies from all years were included, specifically those published within the last 10 years. Some review articles and their reference lists were searched to identify related articles. The role of microbiota in respiratory allergic diseases has attracted more and more attention. Pieces of evidence suggested that the development of allergic diseases causes a possible imbalance in the composition of the gut microbiota. Compared to colonized mice, germ-free mice exhibit exaggerated allergic airway responses, suggesting that microbial host interactions play an important role in the development of allergic diseases. Probiotics modulate both the innate and adaptive inflammatory immune responses, often used as dietary supplements to provide health benefits in gastrointestinal disorders. Probiotics may serve as immunomodulators and activators of host defense pathways. Besides, oral probiotics can modulate the immune response in the respiratory system. Recently, studies in humans and animals have demonstrated the role of probiotic in RA and AA. To understand the characterization, microbiota, and the potential role of probiotics intervention of AA/AR, this review provides an overview of clinical features of AA and AR, probiotics for the prevention and treatment of AR, AA, changes in gut microbiota, and their mechanisms of action., Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (Copyright © 2022 Huang, Zhang, Wang, Jin, Zhang, Su and Sun.)

Sodium fluoride (NaF) is widely used in clinical dentistry. However, the administration of high or low concentrations of NaF has various functions in different tissues. Understanding the mechanisms of the different effects of NaF will help to optimize its use in clinical applications. Studies of NaF and epithelial cells, osteoblasts, osteoclasts, and periodontal cells have suggested the significant roles of fluoride treatment. In this review, we summarize recent studies on the biphasic functions of NaF that are related to both soft and hard periodontal tissues, multiple diseases, and clinical dentistry.

Correlated-electron systems have long been an important platform for various interesting phenomena and fundamental questions in condensed matter physics. As a pivotal process in these systems, d-d transitions have been suggested as a key factor toward realizing optical spin control in two-dimensional (2D) magnets. However, it remains unclear how d-d excitations behave in quasi-2D systems with strong electronic correlation and spin-charge coupling. Here, we present a systematic electronic Raman spectroscopy investigation on d-d transitions in a 2D antiferromagnet—NiPS 3 , from bulk to atomically thin samples. Two electronic Raman modes originating from the scattering of incident photons with d electrons in Ni 2+ ions are observed at ~1.0 eV. This electronic process persists down to trilayer flakes and exhibits insensitivity to the spin ordering of NiPS 3 . Our study demonstrates the utility of electronic Raman scattering in investigating the unique electronic structure and its coupling to magnetism in correlated 2D magnets.

Automatic classification of heart sounds plays an important role in the early diagnosis of congenital heart disease. A kind of heart sound classification algorithms based on sub-band envelope feature and convolution neural network was proposed in this paper, which did not need to segment the heart sounds according to cardiac cycle accurately. Firstly, the heart sound signal was divided into some frames. Then, the frame level heart sound signal was filtered with Gammatone filter bank to obtain the sub-band signals. Next, the sub-band envelope was extracted by Hilbert transform. After that, the sub-band envelope was stacked into a feature map. Finally, type Ⅰ and type Ⅱ convolution neural network were selected as classifier. The result shown that the sub-band envelope feature was better in type Ⅰ than type Ⅱ. The algorithm is tested with 1 000 heart sound samples. The test results show that the overall performance of the algorithm proposed in this paper is significantly improved compared with other similar algorithms, which provides a new method for automatic classification of congenital heart disease, and speeds up the process of automatic classification of heart sounds applied to the actual screening.

Periodontal inflammation is a common inflammatory disease associated with chronic inflammation that can ultimately lead to alveolar attachment loss and bone destruction. Understanding autophagy and pyroptosis has suggested their significant roles in inflammation. In recent years, studies of differentiated embryo-chondrocyte expressed genes 1 and 2 (Dec1 and Dec2) have shown that they play important functions in autophagy and in pyroptosis, which contribute to the onset of periodontal inflammation. In this review, we summarize recent studies on the roles of clock genes, including Dec1 and Dec2, that are related to periodontal inflammation and other diseases.

Polarity often refers to the charge carrier type of a semiconductor or the charging state of a functional group, generally dominating their functionality and performance. Herein we uncover a spontaneous and stochastic polarity-flipping phenomenon in monolayer WSe 2 , which randomly switches between the n -type and p -type states and is essentially triggered by fluctuating carrier flows from or to the adjacent WS 2 monolayer. We have traced such fluctuating carrier flows by interfacial photocurrent measurements in a zero-bias two-terminal device. Such polarity flipping results in switching between the negative and positive correlations between the emission intensities of WS 2 and WSe 2 in the heterobilayer, which is further well-controlled by the electrostatic gate-tuning experiments in a capacitor-structure device. Our work not only demonstrates giant and intermittent carrier flows through long-range coupling in 2D heterostructures and a consequent spontaneous polarity flipping phenomenon but also provides a two-emitter system with a switchable correlation sign that could project future applications in optical logic devices.

Antiferromagnets are promising components for spintronics due to their terahertz resonance, multilevel states and absence of stray fields. However, the zero net magnetic moment of antiferromagnets makes the detection of the antiferromagnetic order and the investigation of fundamental spin properties notoriously difficult. Here, we report an optical detection of Néel vector orientation through an ultra-sharp photoluminescence in the van der Waals antiferromagnet NiPS 3 from bulk to atomically thin flakes. The strong correlation between spin flipping and electric dipole oscillator results in a linear polarization of the sharp emission, which aligns perpendicular to the spin orientation in the crystal. By applying an in-plane magnetic field, we achieve manipulation of the photoluminescence polarization. This correlation between emitted photons and spins in layered magnets provides routes for investigating magneto-optics in two-dimensional materials, and hence opens a path for developing opto-spintronic devices and antiferromagnet-based quantum information technologies.

Wolfberry fruit is very popular among consumers because it is rich in nutrients. However, it is vulnerable to diseases caused by insect pest feeding and microbial pathogen infection. Pesticide application is the main approach for controlling wolfberry disease; however, various concerns have been raised regarding chemical residues in foodstuffs and consequent environmental contamination. Matrix interference is a significant challenge in trace analysis. Chromatography, coupled with MS techniques with high sensitivity and selectivity, proved to be a powerful tool for the detection of multi-pesticide residues in complex matrices. The traditional MRM mode has been gradually replaced by the dynamic MRM (dMRM) mode, which could dynamically allocate the retention time window of each target pesticide, significantly adjust the loading cycle time of multiple compounds, and improve the analysis efficiency. The QuEChERS pretreatment method, based on dispersive solid-phase extraction, has been widely used in the detection of pesticide residues in food because it is simple and rapid. In this study, a robust and high-throughput method was established for the simultaneous determination of 118 pesticide residues in wolfberry using the modified QuEChERS method, combined with gas chromatography-triple quadrupole mass spectrometry in dMRM mode. The optimal pretreatment method was determined by comparing the recovery rates obtained with different volumes of added water (5, 10, 15, and 20 mL), different extraction solvents (acetone, n -hexane, acetonitrile, and acetonitrile containing 0.1% formic acid), different extraction temperatures (normal temperature, -18 ℃ for 10 min and 20 min), water absorbent (anhydrous magnesium sulfate), and purification with primary secondary amine (PSA) and octadecylsilane (C 18 ). The results showed that 5 g samples were rehydrated with 10 mL ultrapure water, extracted with 10 mL acetonitrile, frozen at -18 ℃ for 10 min, partitioned with buffer system salt package containing 4.0 g anhydrous magnesium sulfate, 1.0 g sodium chloride, 1.0 g sodium citrate, and 0.5 g disodium citrate, purified up with 800 mg MgSO 4 , 150 mg PSA, and 150 mg C 18 . Pesticides were separated on a capillary column HP-5MS UI (30 m×0.25 mm×0.25 μm), and quantified by a matrix-matched external standard method. The results showed that the 118 pesticides exhibited good linearity in the range from 20 to 640 μg/L, with correlation coefficients R 2 ≥0.9923. The limits of detection and quantification were 0.006-28.344 μg/kg and 0.021-94.480 μg/kg, respectively. The average recoveries at four spiked levels of 0.01, 0.04, 0.10, and 0.20 mg/kg were in the range of 64.97%-126.21%, with relative standard deviations (RSDs) of 0.69%-18.86% ( n =6). The results of the matrix effect showed that 82% of the pesticides exhibited matrix enhancement effects, while others showed matrix inhibition effects. In addition, 9% of the pesticides showed a strong matrix effect, while others showed moderate or weak matrix effects. The matrix effects could be reduced by the matrix-matched standard curve method. The proposed method was employed for the analysis of 10 real samples purchased from local markets. The results demonstrated that pesticides were detected in all the samples, 22 pesticides were detected in total, and 3-12 pesticides were found in a single sample. Chlorpyrifos, fipronil, cypermethrin, pyridaben, and difenoconazole were detected at high detection rates. The captan content in a batch of samples was 1.4066 mg/kg. Thus, the optimized method is simple, fast, accurate, and reliable, and it is suitable for the routine detection and rapid screening of the multi-pesticide residues in wolfberry.

Colloidal superlattices are fascinating materials made of ordered nanocrystals, yet they are rarely called "atomically precise". That is unsurprising, given how challenging it is to quantify the degree of structural order in these materials. However, once that order crosses a certain threshold, the constructive interference of X-rays diffracted by the nanocrystals dominates the diffraction pattern, offering a wealth of structural information. By treating nanocrystals as scattering sources forming a self-probing interferometer, we developed a multilayer diffraction method that enabled the accurate determination of the nanocrystal size, interparticle spacing, and their fluctuations for samples of self-assembled CsPbBr 3 and PbS nanomaterials. The multilayer diffraction method requires only a laboratory-grade diffractometer and an open-source fitting algorithm for data analysis. The average nanocrystal displacement of 0.33 to 1.43 Å in the studied superlattices provides a figure of merit for their structural perfection and approaches the atomic displacement parameters found in traditional crystals.

The synthesis quality of artificial inorganic nanocrystals is most often assessed by transmission electron microscopy (TEM) for which high-throughput advances have dramatically increased both the quantity and information richness of metal nanoparticle (mNP) characterization. Existing automated data analysis algorithms of TEM mNP images generally adopt a supervised approach, requiring a significant effort in human preparation of labeled data that reduces objectivity, efficiency, and generalizability. We have developed an unsupervised algorithm AutoDetect-mNP for automated analysis of TEM images that objectively extracts morphological information on convex mNPs from TEM images based on their shape attributes, requiring little to no human input in the process. The performance of AutoDetect-mNP is tested on two data sets of bright field TEM images of Au nanoparticles with different shapes and further extended to palladium nanocubes and cadmium selenide quantum dots, demonstrating that the algorithm is quantitatively reliable and can thus serve as a generalizable measure of the morphology distributions of any mNP synthesis. The AutoDetect-mNP algorithm will aid in future developments of high-throughput characterization of mNPs and the future advent of time-resolved TEM studies that can investigate reaction mechanisms of mNP synthesis and reactivity., Competing Interests: The authors declare no competing financial interest., (© 2021 The Authors. Published by American Chemical Society.)

Advances in automation and data analytics can aid exploration of the complex chemistry of nanoparticles. Lead halide perovskite colloidal nanocrystals provide an interesting proving ground: there are reports of many different phases and transformations, which has made it hard to form a coherent conceptual framework for their controlled formation through traditional methods. In this work, we systematically explore the portion of Cs-Pb-Br synthesis space in which many optically distinguishable species are formed using high-throughput robotic synthesis to understand their formation reactions. We deploy an automated method that allows us to determine the relative amount of absorbance that can be attributed to each species in order to create maps of the synthetic space. These in turn facilitate improved understanding of the interplay between kinetic and thermodynamic factors that underlie which combination of species are likely to be prevalent under a given set of conditions. Based on these maps, we test potential transformation routes between perovskite nanocrystals of different shapes and phases. We find that shape is determined kinetically, but many reactions between different phases show equilibrium behavior. We demonstrate a dynamic equilibrium between complexes, monolayers, and nanocrystals of lead bromide, with substantial impact on the reaction outcomes. This allows us to construct a chemical reaction network that qualitatively explains our results as well as previous reports and can serve as a guide for those seeking to prepare a particular composition and shape.

A typical informal landfill in a rainy area of southern China was taken as an example in this study. The comprehensive control ideas and processes of the informal landfill site were systematically reviewed. The basic situation for the early stage of the government survey and investigation was provided, including a waste stock survey, water volume measurement, and a waste source survey. The main contents and key factors of a comprehensive investigation of the environmental quality status were briefly summarized. The water quality in the landfill, groundwater quality inside and outside of the site, and heavy metals in the bottom sediment were all determined. A low-cost practical landfill technology was explored to reduce the Chemical Oxygen Demand COD Cr concentration of polyaluminum ferric chloride (PAFC), and NH 4 + -N was removed by calcium hypochlorite. Soil backfill was replaced, such that the informal landfill site was immobilized, which was perfectly suitable for this southern rainy area. This study proposes rules for a comprehensive improvement scheme for a landfill, and provides a reliable theoretical basis and practical experience for the treatment of similar informal landfills.

Two-dimensional (2D) transition metal nitrides (TMNs) are new members in the 2D materials family with a wide range of applications. Particularly, highly crystalline and large area thin films of TMNs are desirable for applications in electronic and optoelectronic devices; however, the synthesis of these TMNs has not yet been achieved. Here, we report the synthesis of few-nanometer thin Mo 5 N 6 crystals with large area and high quality via in situ chemical conversion of layered MoS 2 crystals. The versatility of this general approach is demonstrated by expanding the method to synthesize W 5 N 6 and TiN. Our strategy offers a new direction for preparing 2D TMNs with desirable characteristics, opening a door for studying fundamental physics and facilitating the development of next-generation electronics., (Copyright © 2020 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works. Distributed under a Creative Commons Attribution NonCommercial License 4.0 (CC BY-NC).)

Hydrogels are attracting increasing attention due to their potential use in various fields. However, most of the existing hydrogels have limitations in either dissipating mechanical energy or maintaining high stretchability under deformation, thus do not possess high mechanical properties. Herein, poly(vinyl alcohol) (PVA)-tannic acid (TA) hydrogels with both high mechanical strength and stretchability were obtained via a step-by-step physical cross-linking and molecular alignment method. Saline-triggered physical interactions serve as "sacrifice domains" to dissipate energy and endow PVA-based hydrogel with high mechanical strength (≈16 MPa) and stretchability (≈1000%). Due to the reversible arranging and disassociating property of physical interactions, PVA-TA hydrogels show excellent shape memory performance. We further demonstrated an effective approach to fabricate strong and aligned PVA-TA thread. The resultant well-aligned PVA-TA dry thread reveals an ultrahigh mechanical tensile strength of up to 750 MPa, nearly 45 times higher than PVA-TA thread with no alignment. Wide-angle X-ray two-dimensional diffraction images further confirmed the alignment of PVA fibers in stretching direction. In addition, we applied the PVA-TA hydrogel as suture and evaluated the cytotoxicity and biocompatibility of the PVA-TA suture.

Electron-phonon coupling in two-dimensional nanomaterials plays a fundamental role in determining their physical properties. Such interplay is particularly intriguing in semiconducting black phosphorus (BP) due to the highly anisotropic nature of its electronic structure and phonon dispersions. Here we report the direct observation of symmetry-dependent electron-phonon coupling in BP by performing the polarization-selective resonance Raman measurement in the visible and ultraviolet regimes, focusing on the out-of-plane A g 1 and in-plane A g 2 phonon modes. Their intrinsic resonance Raman excitation profiles (REPs) were extracted and quantitatively compared. The in-plane A g 2 mode exhibits remarkably strong resonance enhancement across the excitation wavelengths when the excitation polarization is parallel to the armchair (A g 2 //AC) direction. In contrast, a dramatically weak resonance effect was observed for the same mode with the polarization parallel to zigzag (A g 2 //ZZ) direction and for the out-of-plane A g 1 mode (A g 1 //AC and A g 1 //ZZ). Analysis on quantum perturbation theory and first-principles calculations on the anisotropic electron distributions in BP demonstrated that electron-phonon coupling considering the symmetry of the involved excited states and phonon vibration patterns is responsible for this phenomenon. Further analysis of the polarization-dependent REPs for A g phonons allows us to resolve the existing controversies on the physical origin of Raman anomaly in BP and its dependence on excitation energy, sample thickness, phonon modes, and crystalline orientation. Our study gives deep insights into the underlying interplay between electrons and phonons in BP and paves the way for manipulating the electron-phonon coupling in anisotropic nanomaterials for future device applications.

A number of studies have shown that aldosterone serves an important role in promoting renal interstitial fibrosis, although the specific mechanism remains to be elucidated. A previous study revealed that the fibrotic effect of aldosterone was associated with the expression of allograft inflammatory factor 1 (AIF‑1) in RAW264.7 macrophage cells, in a time‑ and concentration‑dependent manner. However, the exact mechanism through which aldosterone promotes renal interstitial fibrosis remains unknown. In the present study, the effects of aldosterone on renal inflammatory cell infiltration, collagen deposition and the expression levels of AIF‑1, phosphatidylinositol 3‑kinase (PI3K), AKT serine/threonine kinase (AKT), mammalian target of rapamycin (mTOR), the oxidative stress factor NADPH oxidase 2 (NOX2) and nuclear transcription factor erythroid‑related factor 2 (Nrf2) were assessed in normal rats, rats treated with aldosterone, rats treated with aldosterone and spironolactone and those treated with spironolactone only (used as the control). The effect of aldosterone on these factors was also investigated in the renal interstitium of unilateral ureteral obstruction (UUO) rats. Additionally, the AIF‑1 gene was overexpressed and knocked down in macrophage RAW264.7 cells, and the effects of aldosterone on PI3K, AKT, mTOR, NOX2 and Nrf2 were subsequently investigated. The results showed that aldosterone promoted inflammatory cell infiltration, collagen deposition and the expression of AIF‑1, PI3K, AKT, mTOR and NOX2, but inhibited the expression of Nrf2. In the UUO rats, aldosterone also promoted renal interstitial inflammatory cell infiltration, collagen deposition and the expression of AIF‑1, NOX2, PI3K, AKT and mTOR, whereas the expression of Nrf2 was downregulated by aldosterone compared with that in the UUO‑only group; the influence of aldosterone was counteracted by spironolactone in the normal and UUO rats. In vitro, aldosterone upregulated the expression levels of AKT, mTOR, NOX2 and Nrf2 in RAW264.7 cells compared with those in untreated cells. Suppressing the expression of AIF‑1 inhibited the effects of aldosterone, whereas the overexpression of AIF‑1 enhanced these effects in RAW264.7 cells. These findings indicated that aldosterone promoted renal interstitial fibrosis by upregulating the expression of AIF‑1 and that the specific mechanism may involve AKT/mTOR and oxidative stress signaling.

Pyridine Nucleotide-Disulphide Oxidoreductase Domain 2 (PYROXD2), a Hepatitis B virus X protein (HBx)-interacting protein, is significantly down-regulated in hepatocellular carcinoma (HCC), however its exact biological function remains unclear. The aim of this study is to investigate the subcellular localization and biological function of PYROXD2 in hepatic cells. The results showed that PYROXD2 was imported to the mitochondrial inner membrane/matrix by Tom40 and Tim23, but not Mia40. PYROXD2 151-230aa might be the mitochondrial targeting sequence. PYROXD2 interacted with complex IV subunit COX5B. Knockout of PYROXD2 decreased MMP, intracellular ROS, complex IV activity, cell proliferation, ATP content and mtDNA copy number, but increased mtROS levels and the number of immature mitochondria. In summary, our data illustrated that PYROXD2 localizes to the mitochondrial inner membrane/matrix, and it plays important roles in regulating mitochondrial function., (Copyright © 2019 Elsevier B.V. and Mitochondria Research Society. All rights reserved.)

Since the discovery of graphene-enhanced Raman scattering in 2010, other 2D materials have been reported to show a Raman enhancement effect on molecules adsorbed on their surfaces. The mechanism for this phenomenon, however, still remains elusive. Here we performed a comparative investigation of the Raman enhancement effect on nine 2D materials with an identical number of copper phthalocyanine (CuPc) as probe molecules. Furthermore, the degree of charge transfer for different CuPc/2D material combinations was calculated, and a positive correlation with enhancement factors was observed, providing evidence to support the charge-transfer-dominated chemical mechanism for this amplification. This study also suggests that Raman enhancement spectroscopy can be used as a nondestructive and rapid probe for the interface interaction between molecules and 2D materials, crucial for organic molecule/2D material-based electronic and optoelectronic devices.

Crystal phases play a key role in determining the physicochemical properties of a material. To date, many phases of transition metal dichalcogenides have been discovered, such as octahedral (1T), distorted octahedral (1T'), and trigonal prismatic (2H) phases. Among these, the 1T' phase offers unique properties and advantages in various applications. Moreover, the 1T' phase consists of unique zigzag chains of the transition metals, giving rise to interesting in-plane anisotropic properties. Herein, the in-plane optical and electrical anisotropies of metastable 1T'-MoS 2 layers are investigated by the angle-resolved Raman spectroscopy and electrical measurements, respectively. The deconvolution of J 1 and J 2 peaks in the angle-resolved Raman spectra is a key characteristic of high-quality 1T'-MoS 2 crystal. Moreover, it is found that its electrocatalytic performance may be affected by the crystal orientation of anisotropic material due to the anisotropic charge transport., (© 2019 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.)

Control and manipulation of single charges and their internal degrees of freedom, such as spin, may enable applications in quantum information technology, spintronics and quantum sensing 1,2 . Recently, atomically thin semiconductors with a direct bandgap such as group VI-B transition-metal dichalcogenide monolayers have emerged as a platform for valleytronics-the study of the valley degree of freedom of charge carriers to store and control information. They offer optical, magnetic and electrical control of the valley index, which, with the spin, is locked into a robust spin-valley index 3,4 . However, because recombination lifetimes of photogenerated excitations in transition-metal dichalcogenides are of the order of a few picoseconds, optically generated valley excitons possess similar lifetimes. On the other hand, the valley polarization of free holes has a lifetime of microseconds 5-9 . Whereas progress has been made in optical control of the valley index in ensembles of charge carriers 10-12 , valley control of individual charges, which is crucial for valleytronics, remains unexplored. Here we provide unambiguous evidence for localized holes with a net spin in optically active WSe 2 quantum dots 13-17 and we initialize their spin-valley state with the helicity of the excitation laser under small magnetic fields. Under such conditions, we estimate a lower bound of the valley lifetime of a single charge in a quantum dot from the recombination time to be of the order of nanoseconds. Remarkably, neutral quantum dots do not exhibit such spin-valley initialization, which illustrates the role of the excess charge in prolonging the valley lifetime. Our work extends the field of two-dimensional valleytronics to the level of single spin- valleys, with implications for quantum information and sensing applications.

MXenes are emerging 2D materials with intriguing properties such as excellent stability and high conductivity. Here, a systematic study on the Raman spectra of 2D α-Mo 2 C (molybdenum carbide), a promising member in MXene family, is conducted. Six experimentally observed Raman modes from ultrathin α-Mo 2 C crystal are first assigned with the assistance of phonon dispersion calculated from density functional theory. Angle-resolved polarized Raman spectroscopy indicates the anisotropy of α-Mo 2 C in the b-c plane. Raman spectroscopy is further used to study the unique domain structures of 2D α-Mo 2 C crystals grown by chemical vapor deposition. A Raman mapping investigation suggests that most of the α-Mo 2 C flakes contain multiple domains and the c-axes of neighboring domains tend to form a 60° or 120° angle, due to the weak MoC bonds in this interstitial carbide and the low formation energy of the carbon chains along three equivalent directions. This study demonstrates that polarized Raman spectroscopy is a powerful and effective way to characterize the domain structures in α-Mo 2 C, which will facilitate the further exploration of the domain-structure-related properties and potential applications of α-Mo 2 C., (© 2019 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.)

Macrophages have been identified as a key cell type in the pathogenesis of renal interstitial fibrosis (RIF). However, the mechanism through which macrophages drive fibrosis remains unclear. The current study focuses on the effects and possible underlying mechanism of allograft inflammatory factor‑1 (AIF‑1), an inflammation‑responsive scaffold protein expressed and secreted by macrophages, in promoting fibroblasts to a profibrotic phenotype. In vivo experiments indicated that AIF‑1, CD68 and α‑smooth muscle actin (α‑SMA) were upregulated in kidney tissues of mice subjected to unilateral ureteric obstruction, while their expressions were inhibited by an aldosterone receptor antagonist, spironolactone. Double immunofluorescence staining revealed that AIF‑1 expression co‑localized with CD68‑positive macrophages in the renal interstitium, indicating that AIF‑1 expression in macrophages was increased in the RIF animal model. Furthermore, to identify the role of AIF‑1 in promoting fibrosis, its expression and secretion by the RAW264.7 macrophage cell line were detected in vitro. The expression levels of α‑SMA, phosphorylated p38 (p‑p38) and fibronectin (FN) in fibroblasts were examined subsequent to co‑culture with macrophages. The increase in AIF‑1 expression and secretion was confirmed in RAW264.7 cells in response to aldosterone. After 72 h of co‑culture between fibroblasts and macrophages stimulated with aldosterone, the α‑SMA expression was induced in fibroblasts, with significantly increased expression levels of FN and p‑p38 observed. In addition, AIF‑1 expression was reduced by stable transfection of RAW264.7 cells with AIF‑1 small interfering RNA, resulting in significantly reduced expression levels of α‑SMA, p‑p38 and FN in fibroblasts co‑cultured with macrophages as compared with normal macrophages. These findings indicate that the expression of AIF‑1 in macrophages is critical for the activation of renal fibroblasts to a profibrotic phenotype. AIF‑1 expression was upregulated in macrophages, and may be a novel mechanism linking macrophages to the promotion of RIF via the p38 signaling pathway.

Black phosphorus (BP), a layered material with puckered crystalline structure in each layer, has drawn intense interest due to its unique optical and electronic properties. In particular, the intricate Raman scattering effect in BP is intriguing and provides a platform for researchers to probe the physical properties of BP in depth. Here we report the first observation of anomalous modes with the frequency in the range of 100-900 cm -1 in BP due to the resonant Raman effect. The origin and assignment of the anomalous modes are discussed based on the excitation energy- and angle-dependent Raman measurements. Density functional theory (DFT) calculated electronic band structure is used to support our understanding. The newly observed phonon modes could serve as a unique probe for the fine electronic structures and the exciton-phonon couplings, which promote a better understanding of BP for potential nanoelectronic and nanophotonic applications in the future.

Phase control plays an important role in the precise synthesis of inorganic materials, as the phase structure has a profound influence on properties such as conductivity and chemical stability. Phase-controlled preparation has been challenging for the metallic-phase group-VI transition metal dichalcogenides (the transition metals are Mo and W, and the chalcogens are S, Se and Te), which show better performance in electrocatalysis than their semiconducting counterparts. Here, we report the large-scale preparation of micrometre-sized metallic-phase 1T'-MoX 2 (X = S, Se)-layered bulk crystals in high purity. We reveal that 1T'-MoS 2 crystals feature a distorted octahedral coordination structure and are convertible to 2H-MoS 2 following thermal annealing or laser irradiation. Electrochemical measurements show that the basal plane of 1T'-MoS 2 is much more active than that of 2H-MoS 2 for the electrocatalytic hydrogen evolution reaction in an acidic medium.