Search

Both the direct-current and alternating-current conductances can be enhanced by the line defects in β12-borophene, but the mechanisms are different.

Cypermethrin (CP) exhibits anti-androgenic effects through antagonism on androgen receptor (AR) activation. This study was to identify whether AR-mediated disabled 2 interacting protein (DAB2IP)/phosphoinositide 3-kinase (PI3K)/protein kinase B (AKT) pathway was involved in CP-induced mouse Sertoli cells (TM4) proliferation disorder. Real-Time Cell Analysis-iCELLigence system was to measure cell proliferation. Bioinformatic analyses were performed to identify AR-regulated genes. Quantitative Real-Time PCR and western blot were to detect the genes and proteins levels in AR-mediated DAB2IP/PI3K/AKT pathway. Results showed CP suppressed TM4 proliferation and the expression of AR. Activation of AR restored the inhibition efficacy of CP on TM4 proliferation. AR regulated DAB2IP expression and phosphorylation levels of PI3K and AKT in CP-exposed TM4 cells. In addition, knockdown of DAB2IP alleviated the inhibition efficacy of CP on cell proliferation and phosphorylation of PI3K and AKT. Taken together, AR was a modulator in CP-induced inhibition of Sertoli cells proliferation by negatively regulating DAB2IP/PI3K/AKT signaling pathway. The study may provide a new insight for the mechanisms of male reproductive toxicity induced by CP.

Introduction: This study aims to understand the transcriptome characteristics of the skeletal muscle of old man with metabolic syndrome (MS), to find the hub genes and insight into the molecular mechanisms of skeletal muscle in the occurrence and development of MS. Methods: In this study, the Limma package of R software was used to analyze the differentially expressed genes in the skeletal muscle of healthy young adult (YO) men, healthy elderly (EL) men, and elderly men diagnosed with metabolic syndrome (SX) for at least 10 years. Bioinformatics methods, such as GO enrichment analysis, KEGG enrichment analysis and gene interaction network analysis, were used to explore the biological functions of differentially expressed genes, and WGCNA was used to cluster differentially expressed genes into modules. Results: Among the YO group, EL group, and SX group, 65 co-differentially expressed genes were found may be regulated by age factor and metabolic syndrome factor. Those co-differentially expressed genes were enriched into 25 biological process terms and 3 KEGG pathways. Based on the WGCNA results, a total of five modules were identified. Fifteen hub genes may play an essential role in regulating the function of skeletal muscle of old men with metabolic syndrome. Conclusions: 65 differentially expressed genes and 5 modules may regulate the function of skeletal muscle of old men with MS, among which fifteen hub genes may play an essential role in the occurrence and development of MS.

Maintaining layer-like features and regulating V atoms will be important directions to improve the performance of NaxV2(PO4)2FO2.

Cypermethrin, one kind of pyrethroid pesticides, has been shown to act as endocrine-disrupting chemicals (EDCs). The purpose of this study was to explore the roles of Sertoli cell apoptosis through mitochondrial pathway associated with calcium (Ca2+) in cypermethrin-induced male reproductive toxicology. The mouse Sertoli cells TM4 were cultured with 0 μM, 10 μM, 20 μM, 40 μM and 80 μM of cypermethrin. We used flow cytometry, Fluo-4 AM, western blot and JC-1 Assay Kit to examine apoptosis, intracellular Ca2+, expressions of mitochondrial apoptotic pathway-related proteins and mitochondrial membrane potential. We found cypermethrin increased apoptosis rate of TM4 cells significantly and with a significant increase in intracellular Ca2+ concentration. Cypermethrin significantly decreased the protein expressions of cytosolic B-cell lymphoma-2 (Bcl-2) and mitochondrial cytochrome c (Cyt-c). The protein expressions of cytosolic Bcl-2-associated x (Bax), Cyt-c, cleaved caspase-3, calmodulin (CaM), Ca2+/CaM-dependent protein kinases II (CaMKII) and phosphorylated CaMKII were increased significantly in cypermethrin-exposed TM4 cells. Cypermethrin decreased mitochondrial membrane potential significantly. Then, Bcl-2 family and Ca2+/CaM/CaMKII pathway participate in cypermethrin-induced homeostasis. Ca2+ overload activates mitochondrial pathway by increasing permeability of mitochondrial membrane and decreasing mitochondrial membrane potential. We suggest cypermethrin induces Sertoli cell apoptosis involving mitochondrial pathway associated with Ca2+ regulated by Bcl-2 family and Ca2+/CaM/CaMKII pathway. The study provides a new insight into mechanisms involved in cypermethrin-induced male reproductive toxicology.

Objective In the previous study, we identified bone morphogenetic protein 4 (BMP4) responsible for non-syndromic cleft lip with or without cleft palate (NSCL/P). We aimed to elucidate the effects and mechanisms of BMP4 on epithelial–mesenchymal transition (EMT) through Smad1 signaling pathway to be involved in NSCL/P. Methods The human oral epidermoid carcinoma cells (KBs) were transfected with plasmids or small interfering RNA (siRNA) to build the models. The migration of the cells was evaluated by transwell assay. Western blotting and quantitative real-time reverse transcription-polymerase chain reaction (qRT-PCR) were used to detect the expressions of BMP4, E-cadherin, N-cadherin, EMT-related transcription factors snal1 and snal2, matrix metalloproteinase 2 (MMP2), MMP9, Smad1, and phosphorylated Smad1. Results In the overexpression group, the migration number of cells was increased significantly. The protein expression of E-cadherin was decreased significantly, while the protein expression level of the N-cadherin was increased significantly. The protein and mRNA expressions of MMP2, MMP9, snal1, and snal2 were significantly higher. The expression level of Smad1 was not significantly changed, while the phosphorylation of Smad1 was significantly increased. In the BMP4-siRNA group, the migrating number cells was significantly decreased. The protein expression of E-cadherin was increased significantly, while the expression of N-cadherin was significantly decreased. The protein and mRNA expressions of MMP2, MMP9, snal1, and snal2 were significantly lower than that of the control group. The expressions of Smad1 and phosphorylation of Smad1 were not significantly changed. Conclusions BMP4 enhances cell migration and promotes cell EMT through Smad1 signaling pathway. Abnormal BMP4 mediates migration and EMT through other relevant signaling pathways resulting in NSCL/P. The study provides new insight into the mechanisms of NSCL/P associated with BMP4.n

Due to the low cost, high element abundance and intrinsic safety, potassium-ion batteries (KIBs) have attracted a surge of interest in recent years. Currently, the key challenge and obstacle to the development of KIBs is to find suitable anode materials with large capacity, high rate capability and small lattice changes during the charge/discharge process. MXenes with excellent energy storage properties are promising anode materials for KIBs and their energy performance largely depends on the surface termination. Here, two-dimensional O- and S-terminated V2C MXene anode materials are designed to model high performance potassium-ion batteries. Using first-principles calculations, the structural properties and potential battery performance in KIBs of V2CO2 and V2CS2 are systematically investigated. The inherent metallic nature, a small diffusion barrier, a low average open circuit voltage, and a high theoretical specific capacity (489.93 mA h g-1 of V2CO2 and 200.24 mA h g-1 of V2CS2) demonstrate that both of them are ideal anode materials for KIBs. Meanwhile, we also investigated the mechanism of the difference in energy performance between V2CO2 and V2CS2 at atomic and electronic levels, in other words, the energy performance difference introduced by surface O- and S-terminations.

Borophene is a novel kind of 2D nanomaterial that has received widespread attention recently. Using semiconducting 2H-MoS2 as the substrate, here we theoretically constructed a 2D van der Waals bor...

Lithium-sulfur battery (Li–S) is considered as one of the new-generation rechargeable batteries with high performance because of its extremely high theoretical capacity, energy density, environmental harmony and low cost. However, low electrical and ionic conductivity of sulfur, safety concerns and parasitic reaction generated by the dissolved polysulfide species in electrolyte hinder the commercialization of Li–S battery. Herein, we report a polyhedral porous structure comprising of carbon coating metal selenide nanoparticles (CoSe2/C), which could not only host sulfur for Li-S battery owing to its porous and conductive structure, but also mitigate the shuttle phenomenon by polysulfides adsorption and catalytic acceleration of redox kinetics. As a result, a performance enhanced CoSe2/C-S electrode for Li-S battery is achieved.

Background: Neurodegenerative diseases, such as Alzheimer's disease patients (AD), Huntington's disease (HD) and Parkinson’s disease (PD), are common causes of morbidity, mortality, and cognitive impairment in older adults. Objective: We aimed to understand the transcriptome characteristics of the cortex of neurodegenerative diseases and to provide an insight into the target genes of differently expressed microRNAs in the occurrence and development of neurodegenerative diseases. Methods: The Limma package of R software was used to analyze GSE33000, GSE157239, GSE64977 and GSE72962 datasets to identify the differentially expressed genes (DEGs) and microRNAs in the cortex of neurodegenerative diseases. Bioinformatics methods, such as GO enrichment analysis, KEGG enrichment analysis and gene interaction network analysis, were used to explore the biological functions of DEGs. Weighted gene co-expression network analysis (WGCNA) was used to cluster DEGs into modules. RNA22, miRDB, miRNet 2.0 and TargetScan7 databases were performed to predict the target genes of microRNAs. Results: Among 310 Alzheimer's disease (AD) patients, 157 Huntington's disease (HD) patients and 157 non-demented control (Con) individuals, 214 co-DEGs were identified. Those co-DEGs were filtered into 2 different interaction network complexes, representing immune-related genes and synapse-related genes. The WGCNA results identified five modules: yellow, blue, green, turquoise, and brown. Most of the co-DEGs were clustered into the turquoise module and blue module, which respectively regulated synapse-related function and immune-related function. In addition, human microRNA-4433 (hsa-miR-4443), which targets 18 co-DEGs, was the only 1 co-up-regulated microRNA identified in the cortex of neurodegenerative diseases. Conclusion: 214 DEGs and 5 modules regulate the immune-related and synapse-related function of the cortex in neurodegenerative diseases. Hsa-miR-4443 targets 18 co-DEGs and may be a potential molecular mechanism in neurodegenerative diseases' occurrence and development.

The present work aimed to explore the protective effect of APSP on Pb-induced reproductive toxicity and possible mechanism. APSP (100 mg/kg) was administered to Pb-intoxicated (0.2% lead acetate) male Kunming mice once daily by oral gavage for 6 weeks. Our results showed that APSP exerted male reproductive protection effects as showed by attenuated Pb-induced testicular injury, improved sperm count and motility, and reduced sperm abnormality rate. APSP also restored Pb-induced decrease in both enzymatic and non-enzymatic antioxidants, and GSH/GSSG ratio, but inhibited lipid peroxidation in serum and testes. Moreover, APSP downregulated Pb-induced Bax mRNA and protein expressions, suppressed activation of caspase-3, upregulated Bcl-2 protein expression, and prevented Pb-induced DNA damage. APSP treatment also interfered with Pb-induced testicular JNK signaling through inhibition of JNK mRNA expression and phosphorylation, resulting in inhibition of c-Jun expression. These effects of APSP were abolished by Pb. In conclusion, APSP represents a potential therapeutic agent for preventing Pb-caused reproductive toxicity, which is attributed to its antioxidant and anti-apoptotic properties, as well as, modulation of JNK signaling pathway.

Background: Tetralogy of Fallot (TOF) is the most common cyanotic congenital heart disease in clinical practice. It is mainly due to cardiovascular hypoplasia during embryonic development. The study aimed to find the etiology of TOF. Method: Through the mRNA expression profile analysis of the GSE35776 dataset, differentially expressed genes (DEGs) were found, and the functional analysis and protein-protein interaction (PPI) network analysis were then performed on DEGs. Likewise, the hub genes and functional clusters of DEGs were analyzed using the PPI network. Differentially expressed miRNAs were analyzed from the GSE35490 dataset, followed by miRNet predicted transcription factors (TFs) and target genes. The key TF-miRNA-gene interaction mechanism was explored through the found significant difference between genes and target genes. Results: A total of 191 differentially expressed genes and 57 differentially expressed miRNAs were identified. The main mechanisms involved in TOF were mitochondria-related and energy metabolism- related molecules and pathways in GO and KEGG analysis. This discovery was identical in TFs and target genes. The key miRNAs, hsa-mir-16 and hsa-mir-124, were discovered by the Venn diagram. A co-expression network with the mechanism of action centered on two miRNAs was made. Conclusion: Hsa-mir-16 and hsa-mir-124 are the key miRNAs of TOF, which mainly regulate the expression of NT5DC1, ECHDC1, HSDL2, FCHO2, and ACAA2 involved in the conversion of ATP in the mitochondria and the metabolic rate of fatty acids (FA). Our research provides key molecules and pathways into the etiology of TOF, which can be used as therapeutic targets.

The lack of high-performance anode materials has become a major obstacle to the development of Li- and Na-ion batteries. Recently, 2D transition metal borides (e.g. MBenes) have attracted much attention due to their excellent stability and electrical conductivity. Unfortunately, most of the reported MBene phases typically have an intrinsic metal-rich structure with metal atoms exposed on the surface, which harmfully affect the adsorption of Li/Na atoms. Here, through crystal structure prediction combined with the first-principles density functional theory, a novel TiB3 MBene has been determined by altering the proportion of non-metallic element boron to wrap metal atoms and weaken nearest-neighbor electrostatic repulsion. Electrostatic potential analysis visually shows a surface with low potential on the TiB3 monolayer implying high adsorption capacity, and also can be used to quickly screen out the Li/Na adsorption sites. Accurate half-cell battery simulation confirmably shows that the TiB3 monolayer possesses a theoretical specific capacity of 1335.04 and 667.52 mA h g-1 for Li and Na, respectively. The TiB3 monolayer can remain metallic after adsorbing Li/Na atoms, which ensures good conductivity during battery cycling. The ultra-low barrier energy (only 38 meV for Li) and suitable open-circuit voltage indicate excellent charging and discharging capabilities. These results suggest that the TiB3 monolayer could be a promising anode material for Li- and Na-ion batteries, and provide a simple design principle for exposing non-metallic atoms on the surface.

Oxygen reduction reaction (ORR) is a key microscopic process in many electrochemical applications of materials, where the requirements of their ORR performances may vary strikingly, for example, du...

Transition metal dichalcogenides (TMDs) can be used as promising nonprecious catalysts for hydrogen evolution reaction (HER), but there has still been a problem of inert basal plane. Inspired by a recent progress in the experimental preparation and characterization of the sandwiched monolayer (ML) Janus MoSSe, we use first-principles methods to explore the stability and HER activity of Janus ML 1T-MoSX (X = O, Se, Te) and optimize the HER activity by tuning the content of anionic X atom. According to the calculated thermodynamic and kinetic properties, we find that both excellent stability and high catalytic performance of 1T-MoSX can be simultaneously obtained when the content of X atom on surface reaches 0.22. Among different types of X, the introduction of O can yield the most favored adsorption energy of H adatom, the lowest kinetic activation energy for the H desorption, and the largest exchange current density ( i 0 ) for the HER of 1T-MoSX. It is a remarkable and important finding that the i 0 of 1T-MoSX is in the same magnitudinal order as that of the precious Pt electrode. The electronic-structure mechanism underlying the superior HER performance of 1T-MoSX is also analyzed in depth. This work indicates a promising application of the new 1T-phase TMDs in high-performance HER catalysis, and the chemical trends present here can also be readily validated by future experiments.

This study was designed to investigate the cytotoxicity of lead acetate (Pb(AC)2, a representative air pollutant) by focusing on PPARγ/caspase-3/PARP apoptotic signaling pathway and to explore the inhibitory effect of PPARγ antagonist on apoptosis of TM3 Leydig cells. MTT assay was utilized to examine cell viability. Cell apoptosis was analyzed using a flow cytometry by staining with Annexin V-PE/7AAD staining and a fluorescence microscope by staining with Hoechst 33,258. The levels of apoptosis-related proteins were examined using western blot. From the results, Pb reduced significantly TM3 cell proliferation in concentration- and time-dependent manner. It increased significantly apoptosis; increased the PPARγ, Bax, procaspase-3, cleaved caspase-3, proPARP, cleaved PARP levels; and decreased Bcl-2 level in Pb-treated TM3 cells as compared to control cells. Furthermore, pretreatment with PPARγ antagonist significantly attenuated the apoptosis and cleavage of caspase-3 and PARP induced by Pb. Our results suggested that Pb induced cytotoxicity on TM3 Leydig cells, at least in part, by increasing PPARγ expression, stimulating cleavage of caspase-3 and PARP, and then induced cell apoptosis.

Lithium–sulfur battery has drawn widely attention due to its high theoretical energy density, in addition to the abundant and affordable sulfur. However, the battery performances are still not satisfied due to the undesired shuttle effect of polysulfides, the sluggish reaction kinetics, together with the intrinsic non-conductivity of active materials. Thus, the preparation of sulfur host materials with polar, catalytic and conductive properties can be an effective tactics. In this work, a cobalt sulfide@reduced graphene oxide composite has been designed and synthesized by a facile method, in which the CoS nanoparticles can provide more polar and catalytic sites to adsorb the polysulfides and accelerate the kinetics of polysulfides conversion. The rGO can serve as composite skeleton that could not only enhance the conductivity of electrodes, but also provide a sheet structure, preventing the aggregation of CoS nanoparticles. Moreover, the C–S bonds between CoS and carbon can further promote charge transfer and stabilize the composite. Benefiting from the trifunctional sulfur-host, the as-prepared cathode exhibits low self-discharge, good cycling stability and high rate performance for 602.0 mAh g−1 at 2 C. This sulfur-host design can be considered an effective and simple strategy for advanced Li-S battery.

We adopted sodium silicate to prepare composites of La(Fe, Si)13 hydrides in this work. A homogenous and continuous matrix of sodium silicate was formed at a relatively low solidification temperature. No counter diffusion between the matrix and the grains of La(Fe, Si)13 hydrides was observed. The magnetocaloric effect of pure La(Fe, Si)13 hydrides is largely preserved in the composites, showing a high tolerance to sodium silicate. These composites possess high thermal conductivity and decent compressive strength compared with the epoxy resin bonded samples. These results suggest that sodium silicate is a promising binder material for producing bulk La(Fe, Si)13 hydrides for their application in magnetic refrigeration.

The 1T phase of transition metal dichalcogenides (TMDs) has been shown to be catalytically active during the hydrogen evolution reaction (HER). However, the catalytic performance is greatly affected by the extent of surface coverage by H, due to the non-optimal bonding strength between H and the 1T-MoS2 surface. In this work, the density functional theory was employed to predict a novel catalyst Ni-doped-1T-MoS2 of HER. The improved performance of 1T-MoS2 was believed to come from the change of the bond strength between S and H atoms, which is tailoring by the doping of transition metal Ni. More importantly, in contrast to undoped 1T-MoS2, the excellent catalytic performance of Ni-doped 1T-MoS2 is only minimally affected by the extent of coverage by H. Based on density of states, crystal orbital Hamiltonian population and Bader charge analyses, this enhanced performance is attributed to the weakening of the S to H bond strength, which is conducive to H desorption. Based on an implicit solvation model, the catalytic activity of Ni-doped 1T-MoS2 was also found to be less vulnerable to the presence of water. These findings are expected to facilitate the future design of single-atom electrocatalysts with high efficiency for the HER.

The lack of high-performance anode materials has become a major obstacle to the development of Li- and Na-ion batteries. Recently, 2D transition metal borides (e.g. MBenes) have attracted much attention due to their excellent stability and electrical conductivity. Unfortunately, most of the reported MBene phases typically have an intrinsic metal-rich structure with metal atoms exposed on the surface, which harmfully affect the adsorption of Li/Na atoms. Here, through crystal structure prediction combined with the first-principles density functional theory, a novel TiB3 MBene has been determined by altering the proportion of non-metallic element boron to wrap metal atoms and weaken nearest-neighbor electrostatic repulsion. Electrostatic potential analysis visually shows a surface with low potential on the TiB3 monolayer implying high adsorption capacity, and also can be used to quickly screen out the Li/Na adsorption sites. Accurate half-cell battery simulation confirmably shows that the TiB3 monolayer possesses a theoretical specific capacity of 1335.04 and 667.52 mA h g-1 for Li and Na, respectively. The TiB3 monolayer can remain metallic after adsorbing Li/Na atoms, which ensures good conductivity during battery cycling. The ultra-low barrier energy (only 38 meV for Li) and suitable open-circuit voltage indicate excellent charging and discharging capabilities. These results suggest that the TiB3 monolayer could be a promising anode material for Li- and Na-ion batteries, and provide a simple design principle for exposing non-metallic atoms on the surface.

Background Non-syndrome cleft lip with or without cleft palate (NSCL/P) is the most common congenital defect with a complex etiology involving both genetic and environmental factors. Our previous research has identified susceptibility genes of NSCL/P using whole-exome sequencing. The study was to determine the effects of small interfering RNA (siRNA)-mediated silencing of genes on cell proliferation and migration to confirm the roles of the genes in NSCL/P. Methods We silenced the genes by RNA interference (RNAi) with siRNA in human oral keratinocyte (HOK). We used the Cell Counting Kit-8 (CCK8) assay to determine cell proliferation and the wound healing assay to determine cell migration. Results Migration of HOK was inhibited by RNAi-induced silencing of adenosine triphosphate binding cassette transporter A4 (ABCA4), erythropoietin produces hepatocyte A receptor 3 (EPHA3), alpha-parvin (PARVA), and platelet-derived growth factor C (PDGFC). The change of proliferation was not found. Treated with siRNA-mediated silencing of type IV collagen (COL4A2), eukaryotic translation initiation factor 2B subunit (EIF2B3), fibroblast growth factor receptor 2 (FGFR2), kinesin family member 20B (KIF20B), β-lactamase serine-like protein (LACTB), SEC16 homolog A (SEC16A) and thyroid adenoma target gene (THADA) had no effects on cell proliferation and migration of HOK. Conclusions We suggest mutations of the four susceptibility genes ABCA4, EPHA3, PARVA and PDGFC are involved in NSCL/P through inhibiting cell migration. The study provides new candidates for future study of NSCL/P.

The practical application of Li-S batteries is inherently limited by the low conductivity of sulfur and the dissolution of polysulfides. The enhancement of conductivity and introduction of polarity to the sulfur host is an effective strategy to overcome these long-standing challenges. In this work, a facile one-step carbonizing process is used to synthesize a unique porous and conductive nanocomposite where Fe3C nanoparticles are embedded in nitrogen-doped porous carbon sheets (Fe3C@NPCS). As demonstrated in Li2S4 adsorption experiments and confirmed by density functional theory calculations, Fe3C nanoparticles are able to strongly adsorb polysulfides via strong Fe-S chemical bonds. Due to the remarkable conductivity, Fe3C nanoparticles can also accelerate the electrochemical reactions of the polysulfides through fast electron transportation. The carbon sheets prevent the aggregation of Fe3C nanoparticles and accommodate sulfur and its volume expansion during charge/discharge processes. With these features, the resultant sulfur cathodes (Fe3C@NPCS-S) deliver an excellent cycling performance with a capacity decay of 0.036% per cycle, and high rate performance of ca. 1127, 1020, 907, 802, 731 and 647 mAh g−1 under current densities of 0.3, 0.5, 1, 2, 3 and 5 C, respectively.

Objective We aimed to investigate practices of nasogastric tube (NGT) intubation and feeding for adults by clinical nurses in China. Methods A self-designed and validated questionnaire comprising 30 questions was distributed to 560 clinical nurses in three comprehensive hospitals of Xiamen, China. The questionnaire covered participants’ demographic characteristics, NGT placement, administration of enteral nutrition (EN), and monitoring or management of feeding intolerance. Results A total 464 (82.9%) questionnaires were completed; 36.2% of nurses used nose–ear–xiphoid and 79.5% forehead–xiphoid measurement to define the internal length of the NGT. Many participants still used traditional methods to confirm NGT placement (auscultation of injected air 50.2%, bubble test 34.7% and observing feeding tube aspirate 34.3%). Bolus feeding was the most commonly used technique to administer EN. A total 97.0% of all nurses used syringes to measure gastric residual volume (GRV), and 62.7% measured GRV every 4–8 hours. The most frequently used GRV threshold values were 200 mL (44.6%) and 150 mL (25.2%). Most nurses stopped feeding immediately when encountering high GRV (84.3%) or diarrhea (45.0%). The nasogastric feeding practices of many clinical nurses were not consistent with international guidelines. Conclusions Our study can provide an impetus for nursing administrators to revise their nasogastric feeding procedures, to promote compliance with evidence-based guidelines.

Room-temperature sodium–sulfur (RT-Na/S) batteries have recently gained much attention as a low-cost candidate for application in large-scale energy storage, especially in stationary energy. For pe...

The electronic, magnetic and transport properties of pristine and chemically modified zigzag γ-graphyne nanoribbons (ZγGYNRs) and corresponding homojunctions are theoretically investigated in the present study. The results show that a pristine ZγGYNR displays similar electronic and magnetic properties to zigzag graphene nanoribbons and these properties can be effectively modulated by substitution of O, B or N atoms. Although the designed ZγGYNR homojunctions have simple structures, they can exhibit rich transport properties such as tunneling magnetoresistance (TMR), negative differential resistance (NDR), abnormal magnetoresistance (AMR) and spin-filtering effects. After O, B or N substitution, the TMR and spin-filtering effects of homojunctions are enhanced and, more importantly, the NDR and AMR effects still exist, indicating that ZγGYNR homojunctions have robust NDR and AMR effects. These intriguing transport properties endow the ZγGYNR homojunctions with potential for applications in future nanoelectronic and spintronic devices.

Mesoporous Co₃O₄/NiCo₂O₄ nanorods were obtained by a hydrothermal reaction with the assistance of Ni foam and subsequent annealing treatment. The characterization of this composition by X-ray diffraction, X-ray photoelectron spectroscopy, high-resolution transmission electron microscopy, energy dispersive spectra and Brunauer-Emmett-Teller analysis revealed that the nanorods consisted of Co₃O₄ and NiCo₂O₄ phase, exhibiting high porosity and rich crystal defects. The electrochemical data showed a specific capacitance of 1173 mF cm-2 and 606 mF cm-2 at 2 mV s-1 and 1 mA cm-2, respectively. Its cycling performance was 83.9% at 3 mA cm-2 after 4000 cycles. Furthermore, the asymmetric supercapacitor Co₃O₄/NiCo₂O₄//AC delivered an energy density of 11.7 W h kg-1 and power density of 760 W kg-1.

The development of lithium-sulfur (Li-S) batteries is hindered by capacity loss due to lithium polysulfide (LIPS) dissolution into electrolyte solutions (known as the "shuttle effect"). MXenes with excellent electrical conductivity, high mechanical strength and multiple possible active two-dimensional surface terminations are attracting much attention as anchoring materials of Li-S batteries. Here, the S-functionalized V2C (V2CS2) is designed and demonstrated to have not only dynamic and thermal stability, but also metallic character. Compared with bare V2C and V2CO2, V2CS2 exhibits a moderate adsorption effect to suppress the "shuttle effect" and can preserve the structure of LIPSs without any decomposition. Moreover, the metallic properties of V2CS2 are maintained after LIPSs are adsorbed, which can promote the electrochemical activity during the charge and discharge process. The low energy barriers of Li2S decomposition and Li diffusion on the V2CS2 surface promise the phase transformation of LIPSs and assist the electrochemical process. Based on these remarkable results, we can conclude that V2CS2 is a promising anchoring material for lithium-sulfur batteries. Our work may also inspire the exploration of other MXenes and new surface functionalization methods to improve the performance of MXenes as host materials for high performance Li-S batteries.

Recently, two-dimensional (2D) material χ3-borophene has been synthesized in experiment. Combining density functional theory with non-equilibrium Green's function method, in the present work we theoretically investigated the adsorption behaviors of small gas molecules NO, NO2, NH3, CO and CO2 on χ3-borophene, and corresponding transport properties and sensing performance. Our results suggest that NO, NO2, NH3 and CO adsorb on this 2D material by chemical adsorption, while CO2 adopts physical adsorption. The transport properties of χ3-borophene are sensitive to the adsorption of NO, NO2, NH3 and CO, thus it can be used to construct gas sensor for these gas molecules. Especially, χ3-borophene is very sensitive to NO and, more interestingly, the sensing performance for NO can be greatly improved by applying in-plane strain. In addition, using semiconductor WSe2 as the substrate, we theoretically predicted a kind of van der Waals heterostructure. It is found that, although the adsorption behaviors of NO, NO2, NH3 and CO on χ3-borophene are hardly affected by the substrate, WSe2 can effectively enhance the stability of χ3-borophene and positively modulate the sensing performance, suggesting an actual way to realize χ3-borophene gas sensor.

Lithium-sulfur batteries have attracted attention because of their high energy density. However, the “shuttle effect” caused by the dissolving of polysulfide in the electrolyte has greatly hindered the widespread commercial use of lithium-sulfur batteries. In this paper, a novel two-dimensional TiS2/graphene heterostructure is theoretically designed as the anchoring material for lithium-sulfur batteries to suppress the shuttle effect. This heterostructure formed by the stacking of graphene and TiS2 monolayer is the van der Waals type, which retains the intrinsic metallic electronic structure of graphene and TiS2 monolayer. Graphene improves the electronic conductivity of the sulfur cathode, and the transferred electrons from graphene enhance the polarity of the TiS2 monolayer. Simulations of the polysulfide adsorption show that the TiS2/graphene heterostructure can maintain good metallic properties and the appropriate adsorption energies of 0.98–3.72 eV, which can effectively anchor polysulfides. Charge transfer analysis suggests that further enhancement of polarity is beneficial to reduce the high proportion of van der Waals (vdW) force in the adsorption energy, thereby further enhancing the anchoring ability. Low Li2S decomposition barrier and Li-ion migration barrier imply that the heterostructure has the ability to catalyze fast electrochemical kinetic processes. Therefore, TiS2/graphene heterostructure could be an important candidate for ideal anchoring materials of lithium-sulfur batteries.

Objective. We have identified a gene YOD1 encoding deubiquitinating enzyme (DUB) responsible for nonsyndromic cleft lip with or without cleft palate (NSCL/P). We aimed to determine the effects of YOD1 RNA interference (RNAi) on cell proliferation and migration, playing an important role in lip and palate formation, and to clarify whether the mechanisms involved TGF-β3 signaling associated with NSCL/P. Methods. RNAi was applied to construct vectors expressing YOD1 small interference RNAs (siRNAs). The vectors were transfected into the human oral keratinocytes (HOK) cells. The cell proliferation and migration were evaluated by the cell counting kit-8 (CCK-8) assay and wound healing assay, respectively. The mRNA levels were detected by quantitative real-time reverse transcription-polymerase chain reaction (qRT-PCR). The protein levels were investigated by western blotting. Results. The proliferation of YOD1 siRNA-transfected HOK cells was remarkably inhibited. The migration rate was significantly decreased in the YOD1 siRNA-transfected HOK cells. The TGF-β3 mRNA and protein levels were decreased significantly by siRNA-mediated knockdown of YOD1. YOD1 RNAi reduced the phosphor-Smad2/3 levels significantly. Conclusions. YOD1 RNAi may inhibit cell proliferation and migration associated with the pathogenesis of NSCL/P through TGF-β3 signaling. The study indicates a novel role of YOD1 in regulating TGF-β3 signaling to affect cell proliferation and migration resulting in NSCL/P.

Background Cleft lip with or without cleft palate (CL/P) is one of the most common congenital defects, which etiology involves both genetic and environmental factors. Previous studies have shown that miR-199a-5p may mediate the occurrence of CL/P. However, the key target genes regulated by miR-199a-5p are not clear. In this study, we employed a systematic bioinformatics analysis of target genes regulated by miR-199a-5p which may be involved in CL/P. Methods The miRBase, Human miRNA tissue atlas, miRecords, miRpathDB, miRWalk, miRTarBase, DIANA-TarBase (v7.0), Literature search, DAVID software, Cytoscape plugin ClueGO + Cluepedia app, MalaCards, TargetScanhuman7.1, Venny 2.1, STRING and GEO databases were comprehensive employed to identify the key genes regulated by miR-199a-5p associated with CL/P. Results Total 429 experimentally validated target genes were obtained from five miRNAs related databases. Expressions of miR-199a-5p and its experimentally validated target genes were elevated in bone, brain and skin. KEGG pathway analysis revealed that the target genes were enriched in focal adhesion, microRNAs in cancer and hippo signaling pathway. Biological process categorization revealed that significant portions of the target genes were grouped as transcription, DNA-templated. Total eight intersection genes were identified by using MalaCards and TargetScanhuman7.1. The target gene transforming growth factor alpha (TGFA) of miR-199a-5p involved in CL/P is screened and verified. Conclusion MiR-199a-5p may mediate CL/P by regulating key target gene TGFA. The study may contribute to a better understanding of the etiology of CL/P.

By cutting γ-graphyne along different directions, two kinds of γ-graphyne nanodots (γ-GYNDs) can be acquired. In present study, using the γ-GYNDs we theoretically designed and investigated the spin-dependent transport properties of two kinds of molecular magnetic tunnel junctions (MMTJs). Depending on the orientation of γ-GYND and the connection way between γ-GYND and electrodes, our results show that two kinds of MMTJs have different microscopic transport mechanisms. Significant single or dual spin-filtering effects, giant magnetoresistances (reach 108%) and spin negative differential resistances can be observed in the MMTJs. In addition, the spin-polarized optoelectronic properties of the MMTJs have also been discussed, and the results indicate that the spin-polarized photocurrents are dependent on the polarization direction of light and magnetization directions of the electrodes. Especially, two different light-generated spins can be simultaneously produced in the MMTJs if the incident photons have given energies and they flow along opposite directions. The above findings show that the γ-graphyne-based MMTJs can be used as spintronic devices or opto-spintronic devices.

The structural and magnetic properties of La1−yTbyFe11.5Si1.5 compounds have been investigated. The substituted 5 percent of Tb has remarkably increased the maximum entropy change (−ΔSM) to a value of 25.2 J/kg·K. However, a further increase of Tb leads to a monotonous decrease in the entropy change, mainly due to phase separation. The Tb substitution also can lower the thermal and magnetic hysteresis loss of the system. Another feature of this replacement is that, with Tb content higher than 10 percent, the Curie temperature (TC) starts to increase and reaches 197 K when 30 percent of La is substituted. These results indicate that La1−yTbyFe11.5Si1.5 may be a promising candidate for magnetic refrigeration material in certain temperature range.

Using density functional theory and nonequilibrium Green's function method, we investigated the spin-dependent transport and spin-polarized optoelectronic properties of the 6,6,12-graphyne-based magnetic tunnel junction (MTJ) devices. The results show that the MTJ devices have prominent dual spin-filtering effect and large tunneling magnetoresistance (TMR); the TMR values of the MTJ devices are as high as 105%. In addition, we found that the spin-polarized photocurrents of the MTJ devices are dependent on the polarization direction of light and the magnetization directions of the electrodes. Two spin-polarized photocurrents can be realized in the MTJ devices and, if the magnetization directions of the two electrodes are antiparallel, the two light-generated spins flow in opposite directions. These interesting phenomena indicate that the 6,6,12-graphyne-based MTJ devices could be used as optoelectronic or opto-spintronic devices.

Cliff-like NiO/Ni 3 S 2 directly grown on nickel foam is fabricated by a mixed method of hydrothermal and thermal decomposition, which is directly used as the working electrode without any binder and other conductive additive assistants. The NiO/Ni 3 S 2 electrode can deliver a high area capacity of 2.28C cm −2 at 2 mA cm −2 , along with outstanding cycling stability (102% capacity retention after 10000 cycles). The energy density of the NiO/Ni 3 S 2 //AC hybrid device is 158.37 Ws g −1 at a power density of 0.23 W g −1 (93.71 Ws g −1 at 2.31 W g −1 ). Compared with other NiO composites on nickel foam, these results indicate that NiO/Ni 3 S 2 directly grown on Ni foam opens up the potential application for energy-storage devices with high area capacity and high cycling performance.

Using density functional theory and non-equilibrium Green’s function method, we designed several zigzag graphene-graphyne nanoribbon heterojunction devices and investigated their spin-dependent transport and optoelectronic properties. Our results show that the heterojunctions have outstanding giant magnetoresistance (GMR) effect. The GMR value is as high as 106%. According to the symmetry and connection way, for the ferromagnetic states the heterojunctions may produce two spin currents and exhibit significant rectification behaviors. Furthermore, spin-polarized photocurrents can be generated by irradiating the devices with infrared, visible or ultraviolet light. More importantly, in these heterojunctions we found that the behavior of the spin-up (spin-down) photocurrent for the ferromagnetic state is similar to that of the spin-down (spin-up) photocurrent for the antiferromagnetic state. This novel effect provides an efficient way to control the spin transport in the systems.

The insecticide cypermethrin has been considered as an endocrine-disrupting chemicals (EDCs) with anti-androgenic activity by interfering with interleukin-6 (IL-6) – induced ligand-independent AR signaling. The purpose of this study was to clarify whether the signal transducer and activator of transcription 3 (STAT3) was involved in the antagonism effect of cypermethrin. In this study, the Western blot was to test the level of STAT3 phosphorylation and the mammalian two-hybrid assay was developed to assess the AR–STAT3 interaction. The date showed that IL-6 increased the phosphorylation level of STAT3 and enhanced the AR–STAT3 interaction. Cypermethrin did not affect the phosphorylation level of STAT3 induced by IL-6, while suppressed the AR-STAT3 interaction induced by IL-6 significantly at the concentration of 10−5 M (p

Oxygen reduction reaction (ORR) is a key microscopic process in many electrochemical applications of materials, where the requirements of their ORR performances may vary strikingly, for example, during the uses of MoS