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In supercritical carbon dioxide (S-CO2) serpentine microtube heat exchangers, heat transfer deterioration often occurs at the bend of serpentine microtube, which reduces the efficiency and shortens the lifetime of the tube. To solve this problem, RNG k-ε turbulence model is used to simulate the flow and heat transfer of S-CO2 when bionic fins are added. The results show that adding fins can significantly improve heat transfer, especially at low mass flux. By increasing the length of the long axis and short axis of the fins, the heat transfer efficiency is significantly improved, but the flow resistance is also increased. When the long axis and short axis are increased in the same proportion, the effect of increasing the short axis on the heat transfer performance is more obvious. This study provides a new way to strengthen the design of S-CO2 serpentine microtube heat exchangers, which has great potential for practical application. [ABSTRACT FROM AUTHOR]

The Xianshuihe fault is a major tectonic boundary between the Sichuan-Yunnan rhombic and Bayanhar blocks in Southwest China. With an average left-lateral strike-slip movement of 10–15 mm/yr, it is a fast-moving strike-slip continental fault. On September 5, 2022, the Ms6.8 Luding earthquake occurred along the Moxi segment of the Xianshuihe fault, reaching a maximum intensity of IX and resulting in a significant number of casualties and severe property damage. This earthquake broke the long-standing seismic quiescence of the Xianshuihe fault, which lasted for more than 40 years, and was followed by a significant number of aftershocks. An outstanding question is how the behavior of the Xianshuihe fault and major earthquakes changed following this mainshock. In this study, we examined the changes in regional seismicity following the Luding earthquake and identified the potential for future strong earthquakes along the Xianshuihe fault. We used a finite element numerical method to simulate the environment of the seismogenic fault and its adjacent areas. In addition, we used the coseismic slip model of the Luding earthquake with the split-node method to calculate how the stress and strain fields in the surrounding area were affected by the 2022 mainshock. Coulomb stress changes were resolved in the main faults, and the seismicity of adjacent faults was analyzed in conjunction with the observed seismic data. The results indicate that regional tectonic movement primarily occurred to the southeast along the Moxi segment. The stress field is approximately north-south in tension and east-west in compression. Variation in the stress field in the epicentral region of the Luding earthquake exceeded 1 MPa. The maximum displacement of the coseismic deformation field was concentrated between Moxi town and Tuanjie village, and the Coulomb stress of the fault zone in this region experienced the largest decrease. However, the b-value of the Gutenberg-Richter magnitude-frequency relationship at the epicenter and the surrounding area exhibited an abnormal pattern of decrease-decrease-increase, indicating that the regional stress may not be fully released. This earthquake increased the Coulomb stress in other segments of the Xianshuihe, Anninghe, and Daliangshan faults, whereas the Coulomb stress in the Longmenshan and Xiaojinhe fault zones decreased. In addition, it triggered a series of normal-fault, moderate-sized earthquakes in nearby areas. The Dagangshan reservoir, located ∼20 km from the epicenter of the Luding earthquake, received an increase of ∼5.3 MPa in the tensile stress along the NWW-SEE direction. The Xiluodu Reservoir, located approximately 225 km from the epicenter, was less affected by this earthquake, and the seismic activity near the reservoir remained relatively unchanged. In this study, post-earthquake seismicity in the vicinity of the Ms6.8 Luding earthquake was analyzed and predicted by numerical simulation, providing a scientific basis for earthquake prediction and disaster reduction. [ABSTRACT FROM AUTHOR]

Polycyclic aromatic hydrocarbons (PAHs) are a class of persistent and toxic organic pollutants that are widely distributed in nature. Although catabolic pathways are essential for bacteria to effectively utilize PAHs, transporting PAHs and their intermediate metabolites across the bacterial cell envelope is a key factor in PAH catabolism and bacterial survival. In this study, we identified a major facilitator superfamily (MFS) transporter member, PhaT, in a PAH-degrading plasmid of Novosphingobium pentaromativorans US6–1. Evolutionary analyses indicate that PhaT analogs are widely distributed in PAH-degrading bacteria, including the genera Novosphingobium and Sphingobium. Interestingly, deletion of the phaT gene upregulated the levels of PAH-degrading enzymes and PAH-degrading gene expression, thereby accelerating phenanthrene biodegradation. Further studies demonstrated that a deficiency of PhaT impaired the efflux of phenanthrene and its benzene ring-containing intermediate metabolites. Furthermore, the deficiency of PhaT also promoted the biodegradation of naphthalene but not of benzo[ a ]pyrene. Molecular docking and site-directed mutagenesis revealed the essential roles of hydrophobic amino acids in the PhaT central cavity for binding to benzene ring-containing substrates. Collectively, these findings indicate that PhaT plays a pivotal role in facilitating the efflux of PAHs and their benzene ring-containing intermediate metabolites. [Display omitted] • The absence of PhaT accelerates phenanthrene biodegradation. • The deficiency of PhaT impaires the efflux of phenanthrene and its benzene ring-containing intermediate metabolites. • Hydrophobic amino acids in the central cavity of PhaT is crucial to PAH and their intermediate metabolite transport. • The PhaT analogs are widely distributed in the PAH-degrading bacteria, including Novosphingobium and Sphingobium. [ABSTRACT FROM AUTHOR]

In this paper, we study a compressible MHD model for one-dimensional non-Newtonian fluids. Strong nonlinearities are addressed using the consistent estimation method of approximate solutions. The existence and uniqueness of positive density local solutions are obtained under the compatibility condition. [ABSTRACT FROM AUTHOR]

Background: Preoperative anxiety management is gaining particular attention in paediatric anaesthesia. Pharmacological and non-pharmacological resorts can be implemented to address this special issue. Despite the various approaches currently used for preoperative sedation in children, the different sedative and anti-anxiety effects between the newly marketed anaesthetic, S-ketamine, and the traditional sedative, midazolam, are still unclear. Methods: This is a patient- and assessor-blinded randomized controlled clinical trial. Participants (n = 110) will receive S-ketamine (0.5 mg/kg) or midazolam (0.08 mg/kg) intravenously administrated at a ratio of 1:1 in the anaesthesia holding area. The primary outcome of this study is the sedative effect evaluated via the change in the modified Yale preoperative anxiety scale. It will be performed at two timepoints: in the pre-anaesthetic holding area before premedication (baseline, marked as T0) and about 5 min after premedication in the operating room without the existence of their guardians (marked as T1). Our secondary objectives include the parent separation anxiety score, postoperative agitation, caregivers' and anaesthesia care providers' satisfaction, and mask compliance. Discussion: This randomized controlled trial is the first study to compare the anti-anxiety effect of intravenous S-ketamine and midazolam. We will provide a new approach for the clinical management of preoperative anxiety in preschool children posted for elective surgery. Trial registration: ChiCTR2300069998. Registered on 30 March 2023. [ABSTRACT FROM AUTHOR]

Primary dysmenorrhea is a common disease in women, and oral administration of Ibuprofen (IBU) is associated with first-pass effects and gastrointestinal irritation. Here, we developed ibuprofen-loaded hexagonal liquid crystal (IBU HLC) gel for transdermal administration. In this study, the structure of prepared IBU HLC was characterized using polarizing microscopey (PLM) and small angle X ray diffraction (SAXS). In vitro drug release behavior and percutaneous penetration were investigated, and drug transdermal behavior was observed by confocal laser scanning microscope (CLSM). Finally, the pharmacokinetic profile and tissue distribution were investigated after transdermal administration. The PLM and SAXS results showed that the inner structure of IBU HLC was hexagonal phase. Moreover, in vitro release, skin permeation and CLSM demonstrated that IBU HLC had an excellent sustained-release effect, and a good transdermal penetration effect accompanied by the combination of multiple percutaneous routes. Pharmacokinetic studies indicated that IBU entered the blood circulation through abdominal transdermal administration in small amounts, mainly entering the uterus, and had a certain targeting ability. In conclusion, the IBU HLC gel would be a promising sustained-release preparation for transdermal administration to relieve dysmenorrhea with a significant drug concentration in the uterus. [ABSTRACT FROM AUTHOR]

Background: Early exposure to sevoflurane may cause brain tissue degeneration; however, the mechanism involved in this process has not been explored. In this study, we investigated the role of long non-coding RNA small nucleolar RNA host gene 3 (lncRNA SNHG3) in sevoflurane-induced neuronal injury. Methods: The injury models of HT22 and primary cultures of neurons were constructed using sevoflurane treatment. The WST-8 reduction was detected by CCK-8 assay, the level of inflammatory factors was detected by enzyme-linked immunosorbent assay (ELISA), and cell pyroptosis was detected by flow cytometry. The expression of genes and proteins was detected by qRT-PCR and Western blot, respectively. The level of β-tubulin III in primary cultures of hippocampal neurons was analyzed by immunofluorescence. The relationship among SNHG3, PTBP1 and NEK7 was confirmed by RIP assay. Results: The expression of SNHG3 and NEK7 were enhanced in sevoflurane-treated HT22 cells. Sevoflurane inhibited the WST-8 reduction in a concentration-dependent manner, promoted the pyroptosis, and increased pyroptosis-related protein expression. SNHG3 knockdown significantly inhibited sevoflurane-induced pyroptosis and inflammatory injury in HT22 cells and primary cultures of neurons. Furthermore, SNHG3 regulated NEK7 expression by binding to PTBP1. NEK7 knockdown reversed the decrease in WST-8 reduction, inhibited pyroptosis, and decreased the release of inflammatory factors and pyroptosis-related protein expression by inactivation of NLRP3 signaling in sevoflurane-induced HT22 cells. Moreover, NEK7 overexpression attenuated the effect of SNHG3 knockdown on neuronal pyroptosis and inflammation injury. Conclusion: Downregulation of SNHG3 attenuates sevoflurane-induced neuronal inflammation and pyroptosis by mediating the NEK7/NLRP3 axis, suggesting that SNHG3 could be a potential target gene for neuronal injury. [ABSTRACT FROM AUTHOR]

This paper discusses the existence and uniqueness of local strong solution for a class of 1D non-Newtonian fluids with non-Newtonian potential and damping term. Here we allow the initial vacuum and viscosity term to be fully nonlinear. [ABSTRACT FROM AUTHOR]

Endoscopic endonasal dacryocystorhinostomy (EE‐DCR) is an effective treatment for dacryocystitis. Aneurysmal rupture is generally not considered a complication of EE‐DCR under general anesthesia. Here, we present a patient with intracerebral and subarachnoid hemorrhage secondary to the rupture of an undiagnosed intracranial aneurysm during EE‐DCR. Clinicians should be aware of such fatal complications when using any vasoconstrictor intraoperatively. [ABSTRACT FROM AUTHOR]

The effects of oleic acid addition methods on the metabolic flux distribution of ganoderic acids R, S and T's biosynthesis from Ganoderma lucidum were investigated. The results showed that adding filter-sterilized oleic acid in the process of submerged fermentation and static culture is of benefit to the synthesis of ganoderic acids R, S and T. The metabolic fluxes were increased by 97.48%, 78.42% and 43.39%, respectively. The content of ganoderic acids R, S and T were 3.11 times, 5.19 times and 1.44 times higher, respectively, than they were in the control group, which was without additional oleic acid. Ganoderic acids R, S and T's synthesis pathways (GAP), tricarboxylic acid cycles (TCA), pentose phosphate pathways (PP) and glycolysis pathways (EMP) were all enhanced in the process. Therefore, additional oleic acid can strengthen the overall metabolic flux distribution of G. lucidum in a submerged fermentation-static culture and it can reduce the accumulation of the by-product mycosterol. This study has laid an important foundation for improving the production of triterpenes in the submerged fermentation of G. lucidum. [ABSTRACT FROM AUTHOR]

Atrial septal defect is a common congenital heart disease in adults and it is often asymptomatic. Percutaneous device closure is gaining popularity, but percutaneous repair of atrial septal defect leading to left atrial rupture and subsequent autotransfusion under high pressure leading to air embolism has not been reported yet. [ABSTRACT FROM AUTHOR]

Thermal expansion phenomena are of both engineering and fundamental interest. The conventional theory of thermal expansion of solids considers anharmonic phonon effects but largely neglects other kind of elementary excitations. A recent experiment reported a negative thermal expansion (NTE) of a two-dimensional magnet CrBr 3 at low-temperatures. Our first-principles calculations, if only the effects of atomic vibrations are considered, predict a low-temperature NTE but lower by several orders of magnitude than experimental data. We propose magnetic excitations (magnons) as another important contributor to the NTE. We extend the theory of thermal expansion by including the contribution from magnons to Helmholtz free energy. First-principles calculations based on this theory confirm the dominate role of magnons in the negative thermal expansion of CrBr 3 as well as in other two-dimensional magnets. [ABSTRACT FROM AUTHOR]

This paper is mainly concerned with the following nonlinear p-Laplacian equation − Δ p (x) + (λ a (x) + 1) ∣ u ∣ p − 2 (x) u (x) = f (x , u (x)) , i n V on a locally finite graph G = (V, E) with more general nonlinear term, where Δp is the discrete p-Laplacian on graphs, p ≥ 2. Under some suitable conditions on f and a(x), we can prove that the equation admits a positive solution by the Mountain Pass theorem and a ground state solution uλ via the method of Nehari manifold, for any λ > 1. In addition, as λ → +∞, we prove that the solution uλ converge to a solution of the following Dirichlet problem { − Δ p (x) + ∣ u ∣ p − 2 (x) u (x) = f (x , u (x)) , i n Ω u (x) = 0 o n ∂ Ω where Ω = {x ∈ V:a(x) = 0} is the potential well and ∂Ω denotes the the boundary of Ω. [ABSTRACT FROM AUTHOR]

Background: To determine whether maintaining ventilation during cardiopulmonary bypass (CPB) with a different fraction of inspired oxygen (FiO2) had an impact on the occurrence of postoperative pulmonary complications (PPCs).Methods: A total of 413 adult patients undergoing elective cardiac surgery with CPB were randomly assigned into three groups: 138 in the NoV group (received no mechanical ventilation during CPB), 138 in the LOV group (received a tidal volume (VT) of 3-4 ml/kg of ideal body weight with the respiratory rate of 10-12 bpm, and the positive end-expiratory pressure of 5-8 cmH2O during CPB; the FiO2 was 30%), and 137 in the HOV group (received the same ventilation parameters settings as the LOV group while the FiO2 was 80%).Results: The primary outcomes were the incidence and severity of PPCs during hospitalization. The composite incidence of PPCs did not significantly differ between the NoV (63%), LOV (49%) and HOV (57%) groups (P = 0.069). And there was also no difference regarding the incidence of PPCs between the non-ventilation (NoV) and ventilation (the combination of LOV and HOV) groups. The LOV group was observed a lower proportion of moderate and severe pulmonary complications (grade ≥ 3) than the NoV group (23.1% vs. 44.2%, P = 0.001).Conclusion: Maintaining ventilation during CPB did not reduce the incidence of PPCs in patients undergoing cardiac surgery.Trial Registration: Chinese Clinical Trial Registry ChiCTR1800015261. Prospectively registered 19 March 2018. http://www.chictr.org.cn/showproj.aspx?proj=25982. [ABSTRACT FROM AUTHOR]

The pro-tumorigenic M2-type tumor-associated macrophages (TAMs) in the immunosuppressive tumor microenvironment (TME) promote the progression, angiogenesis, and metastasis of breast cancer. The repolarization of TAMs from an M2-type toward an M1-type holds great potential for the inhibition of breast cancer. Here, we report that Lycium barbarum polysaccharides (LBPs) can significantly reconstruct the TME by modulating the function of TAMs. Specifically, we separated four distinct molecular weight segments of LBPs and compared their repolarization effects on TAMs in TME. The results showed that LBP segments within 50–100 kDa molecular weight range exhibited the prime effect on the macrophage repolarization, augmented phagocytosis effect of the repolarized macrophages on breast cancer cells, and regression of breast tumor in a tumor-bearing mouse model. In addition, RNA-sequencing confirms that this segment of LBP displays an enhanced anti-breast cancer effect through innate immune responses. This study highlights the therapeutic potential of LBP segments within the 50–100 kDa molecular weight range for macrophage repolarization, paving ways to offer new strategies for the treatment of breast cancer. • Lycium barbarum polysaccharide can reconstruct the tumor microenvironment (TME) by repolarizing tumor-associated macrophages (TAMs). • LBP segments within the 50–100 kDa molecular weight range augment the phagocytosis of breast cancer cells by the repolarized macrophages through innate immune responses. • LBP segments within the 50–100 kDa molecular weight range elicit robust anti-tumor effects on tumor-bearing mouse models and hold great potential for the treatment of breast cancer by immunoregulation of TME. [ABSTRACT FROM AUTHOR]

Four 2-phenylthiazole derivatives are synthesized, characterized, and evaluated as cholinesterase inhibitors. The structures of the 2-phenylthiazole derivatives are confirmed by 1H and 13C nuclear magnetic resonance spectroscopy, single-crystal X-ray diffraction studies, and Hirshfeld surfaces analysis. Hirshfeld surface analysis of the prepared compounds showed C–H···O intermolecular interactions. The cholinesterase inhibition activities of the synthesized compounds are tested by Ellman's method. [2-(4-Benzyloxyphenyl)-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)-methanone showed the best acetylcholinesterase inhibition activity with an IC50 value of 8.86 µM and the best butyrylcholinesterase inhibition activity with an IC50 value of 1.03 µM. A docking study demonstrates that the same compound interacts with the catalytic anionic site and peripheral anionic site of acetylcholinesterase and the catalytic anionic site of butyrylcholinesterase. [ABSTRACT FROM AUTHOR]

New 2D bismuth oxychalcogenide nanosheets have excellent theoretical properties such as high electronic mobility and excellent oxidation resistance, which have good application prospective for optoelectronic devices. In this paper, during the synthesis process via mild hydrothermal route, ammonium bismuth citrate (C6H13BiN2O7·H2O) is selected as Bi source. Both Bi2O2S and Bi2O2Se nanosheets (lateral size: over 2.0 µm, thickness: ≈ 5.0 nm) are synthesized successfully using thiourea (CH4N2S) as S source, and sodium selenite (Na2O3Se) as Se source, respectively. The as‐synthesized Bi2O2S and Bi2O2Se materials have desirable nanosheet‐like morphologies. After adding C6H13BiN2O7·H2O, [(NH3)2C6H7O7]3‐ can intercalate between the interlayers of Bi2O2S or Bi2O2Se, limiting the growth along c‐axis direction, so that 2D sheets can be obtained. Finally, the photodetectors are fabricated based on Bi2O2S and Bi2O2Se films coated by thermal spraying. The experimental results show that the maximum responsivity and detectivity of Bi2O2S‐based photodetector are 0.059 A W‐1 and 6.77 × 109 Jones, respectively. As to Bi2O2Se‐based photodetector, the maximum responsivity and detectivity can reach 75.14 A W‐1 and 3.95 × 1012 Jones, respectively. The mild hydrothermal synthesis using ammonium bismuth citrate as Bi source is a universal and facile method to obtain Bi2O2S and Bi2O2Se nanosheets for optoelectronic applications. [ABSTRACT FROM AUTHOR]

Polymyxins are cationic antimicrobial peptides used as the last-line therapy to treat multidrug-resistant Gram-negative bacterial infections. The bactericidal activity of polymyxins against Gram-negative bacteria relies on the electrostatic interaction between the positively charged polymyxins and the negatively charged lipid A of lipopolysaccharide (LPS). Given that Gram-positive bacteria lack an LPS-containing outer membrane, it is generally acknowledged that polymyxins are less active against Gram-positive bacteria. However, Gram-positive bacteria produce negatively charged teichoic acids, which may act as the target of polymyxins. More and more studies suggest that polymyxins have potential as a treatment for Gram-positive bacterial infection. This mini-review discusses recent advances in the mechanism of the antibacterial activity and resistance of polymyxins in Gram-positive bacteria. Key Points • Teichoic acids play a key role in the action of polymyxins on Gram-positive bacteria. • Polymyxin kills Gram-positive bacteria by disrupting cell surface and oxidative damage. • Modification of teichoic acids and phospholipids contributes to polymyxin resistance in Gram-positive bacteria. • Polymyxins have potential as a treatment for Gram-positive bacterial infection. [ABSTRACT FROM AUTHOR]

• Combi-CLEAs of glycerol dehydrogenase and NADH oxidase were prepared for in situ NAD+ regeneration. • Adjacent dispersion of two enzymes may lead to the quick uptake of NAD+ and achieve the high-speed NAD+ regeneration. • The conversion of glycerol in combi-CLEAs reaches 4.60%, which is 2.5 folds of the free enzyme (1.85%). Cofactor regeneration is an important method to avoid the consumption of large quantities of oxidized cofactor NAD+ in enzyme-catalyzed reactions. Herein, glycerol dehydrogenase (GDH) and NADH oxidase preparations by aggregating enzymes with ammonium sulphate followed by cross-linking formed aggregates for effective regeneration of NAD+. After optimization, the activity of combi-CLEAs and separate CLEAs mixtures were 950 and 580 U/g, respectively. And the catalytic stability of combi-CLEAs against pH and temperature was superior to the free enzyme mixture. After ten cycles of reuse, the catalytic efficiency could still retain 63.3% of its initial activity, indicating that the constructed combi-CLEAs system had excellent reusability. Also, the conversion of glycerol to 1,3-dihydroxyacetone (DHA) was improved by the constructed NAD+ regeneration system, resulting in 4.6%, which was 2.5 times of the free enzyme system. Thus, wide applications of this co-immobilization method in the production of various chiral chemicals could be expected in the industry for its high efficiency at a low cost. [ABSTRACT FROM AUTHOR]

Based on first-principles calculations, the magnetoelectric effect and the critical thickness for ferroelectricity in Co/BaTiO3/Co multiferroic tunnel junctions were investigated. The calculated results show that the ferroelectricity of multiferroic tunnel junctions can be maintained until a critical thickness of 1.6 nm. The magnetic moments of interface atoms are sensitive to the ferroelectric displacements, which leads to a sizable magnetoeletric effect in multiferroic tunnel junctions. The multiferroic tunnel junctions may opens an avenue for the development of novel electronic devices. [ABSTRACT FROM AUTHOR]

The stability of the remnant polarization in the ferroelectric barrier layer is a prerequisite to applications involving ferroelectric tunnel junctions (FTJs) or capacitors. One of the most important issues in the pursuit of further developments in this area is to overcome the limitations due to the critical thickness, below which the ferroelectric polarization disappears. In this paper we report first-principle density-functional calculations of the charge distribution and polarization in an asymmetric FTJ (A-FTJ), i.e., one with dissimilar electrodes. We found that a significant and stable polarization can be retained down to thicknesses as small as 0.8 nm (two unit-cells) in a BaTiO3 thin film between Pt and SrRuO3 electrodes, quite unlike the case of symmetric FTJs. We trace this surprising result to the large electric field produced by the charge transfer between the electrodes caused by their different electronic environments, which acts against the depolarization field and enhances the ferroelectricity, leading to the reduction, or even the complete elimination of the depolarization field, leading to the vanishing of the critical thickness. We speculate that this is a general result for A-FTJs, which could be of importance to applications of ferroelectric thin films and tunneling junctions or capacitors where the presence of the critical thickness is a limiting factor. [ABSTRACT FROM AUTHOR]

Electrical transport properties in ferromagnetic shape memory Ni–Mn–Ga single crystal have been investigated both in experiment and theory by analyzing electrical resistivity along different crystallographic directions during heating. The experimental results show a clear first-order martensitic transformation and a large anisotropic resistivity (AR) of 23.7% at the tetragonal martensitic phase. The theoretical conductivity (σ=1/ρ), estimated using first-principles calculations combined with classical Boltzman transport theory, proves essential crystallographic anisotropic resistivity (AR=31%) in the martensitic phase and agrees well with experimental results. The AR in the martensitic phase is reveled to mainly originate from the splitting of the minority-spin Ni 3d and Ga 4p states near the Fermi level and hence reconstruction of the minority-spin Fermi surface upon martensitic transformation. [ABSTRACT FROM AUTHOR]

Electronic and magnetic properties of BiCoO3 have been investigated using the ab initio density-functional calculations with local spin density approximation (LSDA) and LSDA+U methods. The structural stability and the origin of the multiferroism for ferroelectronic and ferromagnetic existence were addressed. It was shown that the stability of the C-type antiferromagnetic (C-AFM) structure is better than that of other possible configurations. The hybridization between Bi–O and Co–O with interplay and a local magnetic moment on the Co3+ play important roles for the nature of the ferroelectricity and ferromagnetism. Theoretical calculations predict the insulating ground state with a band gap of 2.11 eV in the C-AFM ordering for BiCoO3 originated from the antiferromagnetic interaction in the ab plane, which is in well agreement with experiments. [ABSTRACT FROM AUTHOR]

First-principles calculations are employed to study the surface relaxation and electronic structure of the fully relaxed SrTiO3 (001) oxygen-vacancy surfaces with both Sr and Ti terminations. In contrast to the perfect surface, the larger surface rumples and smaller interlayer distances have been found. Some in-gap Ti 3d states at about -1.13 eV below the Fermi level were observed in the Ti-terminated surface caused by oxygen vacancies. For the Sr-terminated oxygen-vacancy surface, some in-gap Ti 3d states move into the bulk midgap region to become partially occupied. These theoretical results are in agreement with the experimental data. [ABSTRACT FROM AUTHOR]

Highlights • Ga 2 O 3 film with (2 ¯ 0 1) preferred orientation was sputtered on SiC crystal substrate. • After annealing at 800 °C, Ga 2 O 3 film has better crystalline quality (FWHM = 0.108°). • Based on the facile Ga 2 O 3 film, MSM deep-ultraviolet detector was fabricated. • Its responsitvity and detectivity reach 2.6 A/W and 1.6 × 1012 Jones, respectively. • The detector shows fast response characteristics with the response time of 0.26 s. Abstract As a wide-bandgap semiconductor oxide material, Ga 2 O 3 has great application prospects in various optoelectronic fields. At present, much attention has been paid to Ga 2 O 3 deep ultraviolet (DUV) detectors, in which Ga 2 O 3 films are often poor-quality poly-crystalline or expensive mono-crystalline. In this paper, Ga 2 O 3 films with highly preferred orientation were deposited on hexagonal SiC (6H-SiC) substrate by magnetron sputtering, and the as-prepared Ga 2 O 3 films were then annealed. The influences of sputtering and annealing parameters on Ga 2 O 3 films were analyzed. Finally, DUV photo-detectors based on the as-obtained Ga 2 O 3 films were fabricated. The experimental results show, when choosing optimal sputtering parameters (RF power: 120 W, gas pressure: 1.5 Pa, film thickness: 400 nm), the sputtered Ga 2 O 3 films with (2 ¯ 0 1) highly preferred orientation after annealing at 800 °C, have good crystalline quality (FWHM = 0.108°) between single-crystal and polycrystal, showing good compromise between optoelectronic characteristics and preparation cost. The fabricated metal-semiconductor-metal (MSM) DUV photodetector operated at a bias voltage of 10 V can achieve excellent comprehensive photo-detection properties for 254 nm ultraviolet light: the responsivity, detectivity and quantum efficiency are high as 2.6 A/W, 1.6 × 1012 Jones and 1265%, respectively, along with short response time of 0.26 s. [ABSTRACT FROM AUTHOR]

The authors study an initial boundary value problem for the three-dimensional Navier-Stokes equations of viscous heat-conductive fluids with non-Newtonian potential in a bounded smooth domain. They prove the existence of unique local strong solutions for all initial data satisfying some compatibility conditions. The difficult of this type model is mainly that the equations are coupled with elliptic, parabolic and hyperbolic, and the vacuum of density causes also much trouble, that is, the initial density need not be positive and may vanish in an open set. [ABSTRACT FROM AUTHOR]

Graphical abstract Highlights • Knockdown of flightin gene resulted in male courtship songs loss. • The lack of male courtship songs prolonged copulation latency and caused female rejection. • The mute males exhibited greater competitiveness. Abstract In duet-based courtship, species- and sex-specific vibrational signals enable animals to identify the species and sex of the singer and also provide the necessary information with which to locate a partner. Substrate-borne communication has been described in a wide variety of insects. Here, we focus on the gene necessary for the emission of male vibrational signals and whether the male song fulfills such a functional role in the mating system of the brown planthopper (BPH, Nilaparvata lugens). We generated mute BPH adult males via RNA interference (RNAi) of the flightin gene, which encodes a myosin-binding protein expressed exclusively in the dorsal longitudinal muscle (DLM) in the basal two abdominal segments used for driving the vibration of the male-specific tymbal structure in short-winged (brachypterous) BPH adults. Transmission electron microscopy (TEM) observation showed that flightin knockdown disrupted the normal sarcomere structure of the abdominal DLM. No courtship song could be detected in the brachypterous males after RNAi treatment. Behavior and competition trials showed that the lack of male courtship songs prolonged copulation latency and even caused female rejection. Unexpectedly, the mute males exhibited greater competitiveness when competing against normal males. [ABSTRACT FROM AUTHOR]

The large Stokes shifts usually result in open circuit voltage (VOC) reduction, which will affect the photovoltaic performance of the material. Recently, three-dimensional organosulfide-halide perovskites (CYS)PbCl2 and (CYS)PbBr2 [CYS: +NH3(CH2)2S−] have received much attention in the photovoltaic field due to their higher stability and similar photoelectric properties (desirable direct bandgap, band dispersion, and light absorption) than MAPbX3 (X = Cl, Br, and I). Unfortunately, both materials exhibit large Stokes shifts emission. Thus, to be clear about their application prospects in the photovoltaic field, the origin of the large Stoke shift needs to be investigated. Moreover, the bandgaps of (CYS)PbBr2 (2.17 eV) and (CYS)PbCl2 (2.32 eV) are higher than the ideal bandgap value of (0.9–1.6 eV) for photovoltaic materials. Based on density functional theory, this paper explores the cause of large Stokes shifts and further improves the photovoltaic performance of the materials by halogen substitution. The calculation results show that the large Stokes shifts come from defect emission rather than intrinsic self-trapping emission and the I atom substitution can reduce the bandgap [(CYS)PbI2; gap = 1.85 eV] and enhance the optical absorption and carrier migration ability without destroying the direct bandgap. Our research will promote the experimental synthesis of more excellent perovskite photovoltaic materials. [ABSTRACT FROM AUTHOR]

Abstract It is fully established that the condensing reaction for the initiation of fatty acid synthesis is essential for viability of many bacteria. In model bacteria such as Escherichia coli , this reaction is exclusively catalyzed by β-ketoacyl-ACP synthase (KAS) III (encoded by fabH ) and the FabH loss results in a fatty acid auxotroph. However, such a notion has been under the challenge of recent findings. In an attempt to resolve the conflicting results, in this study, we examined the physiological role of multiple KASIII enzyme homologues in Shewanella oneidensis , an excellent model for researching type II fatty acid synthesis (FASII) and its regulation. We demonstrated that FabH1 and temperature-responsive FabH2 are primarily responsible for initiating synthesis of straight- and branched-chain fatty acids respectively, whereas FabH3 and OleA are dispensable. Cells lacking all these enzymes as a set are viable but carry severe defects in growth. Further analyses revealed that in the absence of KAS III either of FabB (KASI) and FabF2 (KASII) is able to support growth, suggesting that they could initiate FASII. Strikingly, KASIII enzymes and OleA together confer S. oneidensis cells resistance to cerulenin, a selective inhibitor of FabF and FabB. Along with our previous finding that S. oneidensis FabF1 and FabB are fully equivalent with respect to their physiological impacts, these results imply that physiological function promiscuity of bacterial KAS enzymes could be more extensive than previously expected. Highlights • In bacteria with multiple KAS III homologues only a portion work as KASIII enzymes. • None of KASIII homologues is essential. • Both KASI and KASII are able to initiate fatty acid synthesis. • KASIII homologues as a set confer S. oneidensis resistance to cerulenin. [ABSTRACT FROM AUTHOR]

A biodegradable drug delivery system (DDS) is one the most promising therapeutic strategies for cancer therapy. Here, we propose a unique concept of light activation of black phosphorus (BP) at hydrogel nanostructures for cancer therapy. A photosensitizer converts light into heat that softens and melts drug-loaded hydrogel-based nanostructures. Drug release rates can be accurately controlled by light intensity, exposure duration, BP concentration, and hydrogel composition. Owing to sufficiently deep penetration of near-infrared (NIR) light through tissues, our BP-based system shows high therapeutic efficacy for treatment of s.c. cancers. Importantly, our drug delivery system is completely harmless and degradable in vivo. Together, our work proposes a unique concept for precision cancer therapy by external light excitation to release cancer drugs. If these findings are successfully translated into the clinic, millions of patients with cancer will benefit from our work. [ABSTRACT FROM AUTHOR]

Neuronal development orchestrates the formation of an enormous number of synapses that connect the nervous system. In developing presynapses, the core active zone structure has been found to assemble through liquid–liquid phase separation. Here, we find that the phase separation of Caenorhabditis elegans SYD-2/Liprin-α, a key active zone scaffold, is controlled by phosphorylation. We identify the SAD-1 kinase as a regulator of SYD-2 phase separation and determine presynaptic assembly is impaired in sad-1 mutants and increased by overactivation of SAD-1. Using phosphoproteomics, we find SAD-1 phosphorylates SYD-2 on 3 sites that are critical to activate phase separation. Mechanistically, SAD-1 phosphorylation relieves a binding interaction between 2 folded domains in SYD-2 that inhibits phase separation by an intrinsically disordered region (IDR). We find synaptic cell adhesion molecules localize SAD-1 to nascent synapses upstream of active zone formation. We conclude that SAD-1 phosphorylates SYD-2 at developing synapses, activating its phase separation and active zone assembly. In developing presynapses, the core active zone structure has been found to assemble through liquid-liquid phase separation. This study shows that the active zone localized kinase SAD-1 phosphorylates SYD-2/Liprin-α, a key active zone scaffold protein, relieving its autoinhibition and triggering phase separation. [ABSTRACT FROM AUTHOR]

Purpose: Lung ischemia-reperfusion injury (LIRI) after lung transplantation can lead to primary graft dysfunction. Budesonide can improve endothelial function to reduce lung injury. This study was aimed to examine the effects of budesonide on LIRI and potential mechanisms.Methods: Wistar rats were randomized and transplanted with syngeneic left lung or received the sham surgery. The recipients were instilled with saline or budesonide immediately after reperfusion. The mean arterial pressure (MAP), blood gas, and lung histology were analyzed. The ratios of wet to dry lung weights, the levels of total proteins, tumor necrosis factor (TNF)-α, interleukin (IL)-1β, IL-6, and IL-10, and neutrophil elastase in bronchoalveolar lavage fluid (BALF) were measured. The levels of malondialdehyde (MDA), myeloperoxidase (MPO), and xanthine oxidase (XO) in the lung, and the levels of plasma lymphocyte function-associated antigen (LFA)-1 and P-selectin were determined.Results: Compared with the saline group, treatment with budesonide significantly increased blood PaO2, but reduced PaCO2, and mitigated lung damages after reperfusion, the levels of BALF proteins, and the ratios of wet to dry lung weights in rats. Furthermore, treatment with budesonide significantly decreased the levels of MDA, MPO, and XO in the lung and the levels of TNF-α, IL-1β, IL-6, and neutrophil elastase, but increased IL-10 in the BALF, accompanied by significantly reduced levels of serum P-selectin and LFA-1 in rats.Conclusions: Budesonide effectively mitigated LIRI and ameliorated the lung function by attenuating oxidative stress and inflammation following syngeneic lung transplantation. [ABSTRACT FROM PUBLISHER]

The three-dimensional equations of steady compressible magnetohydrodynamic non-isentropic flows are considered. A boundary value problem for the velocity and the temperature is studied in a bounded domain with arbitrarily large data. The existence of weak solutions to these equations is established under the assumption that the pressure P ( ρ , θ ) = c 1 ρ γ + c 2 ρ θ for γ > 7 3 . [ABSTRACT FROM AUTHOR]

Polydatin, a glucoside of resveratrol, recently has been demonstrated possibly to exert its biological effects by targeting sonic hedgehog (Shh). However, whether Shh signaling pathway is involved in the therapeutic effects of polydatin for renal ischemia/reperfusion (I/R) injury has not been evaluated. Our results showed that I/R induced the secretion of Shh, upregulated Patched and Smoothened, and enhanced the nuclear translocation and target gene transcription of Glioblastoma 1 in renal I/R injury models, which were further upregulated after the administration of polydatin significantly and in turn exerted prominent nephroprotective effects against cell apoptosis and oxidative stress. The treatment with cyclopamine (a specific inhibitor of Smoothened) or 5E1 (an anti-Shh antibody) not only markedly inhibited the activation of the Shh pathway, but also dramatically suppressed the nephroprotective effects of polydatin above-mentioned. These results advance our knowledge that polydatin can provide protection for kidneys against I/R injury by enhancing antioxidant capacity and decreasing cell apoptosis through activating Shh signaling pathway. [ABSTRACT FROM AUTHOR]

Objective: To introduce a method in which a long sheath is used instead of the traditional short sheath, to reduce the radiation exposure of operators in uterine artery embolization (UAE). Methods: 52 patients undergoing UAE were randomly divided into two groups before the procedure: an 11-cm short sheath was used in Group A (n = 25), and a 45-cmlong sheath was used in Group B (n = 27); the 45-cm-long sheath was only partly inserted such that the hub of the sheath was approximately 34 cm caudal to the groin puncture site. All the procedures were standard bilateral UAE operations through unilateral approach. The other parameters of the tw o groups were kept the same, including the fluoroscopy conditions and the pelvic radiation field size. The thermoluminescent personal dosemeters were attached to the left wrist and left outer side of the thyroid collar of the operator during each operation. The radiation exposure of the operator, procedure duration and fluoroscopy time of each procedure were recorded. Statistical analysis was performed using independent samples f-test. Results: The radiation exposure of both the left hand and thyroid of the operator was significantly reduced with the long sheath compared with the short sheath (89.5 ± 7.2 M-Gy vs 186.7 ± 12.6 μGy, p < 0.001, and 54.1 ± 5.5p.Gy vs 63.9 ± 7.4 μGy, p < 0.001, respectively). No significant differences were found in the procedure duration and fluoroscopy time between the two groups (p > 0.1). Conclusion: Using a long sheath in UAE could significantly reduce the radiation exposure to the intervention is ts without extending the procedure duration or fluoros copy time. Advances in knowledge: For the first time, we introduce a simple and convenient method to reduce the radiation exposure of the operator in the UAE procedure. [ABSTRACT FROM AUTHOR]

Using the non-equilibrium Green's function method and the spin-polarized density functional theory, we investigate the magnetism and spin resolved transport properties of hetero-structures based on zigzag graphene nanoribbons (ZGNRs) with edge hydrogenation (H) and oxidation (O). It is found that a perfect spin filtering effect can be realized on O-ZGNR-H/H-ZGNR-H in both parallel and anti-parallel spin configurations. Interestingly, an excellent dual spin filtering behavior can be obtained on O-ZGNR-H/H2-ZGNR-H, which is independent of the width of the nanoribbon. Our results indicate that the hetero-structure holds promise for spintronic devices in future. [ABSTRACT FROM AUTHOR]

The nonlinear spin-dependent transport properties in zigzag molybdenum-disulfide nanoribbons (ZMNRs) with line defects are investigated systematically using nonequilibrium Green's function method combined with density functional theory. The results show that the line defects can enhance the electronic transfer ability of ZMNRs. The types and locations of the line defects are found critical in determining the spin polarization and the current-voltage (I-V) characteristics of the line defected ZMNRs. For the same defect type, the total currents of the ribbons with the line defects in the centers are lager than those on the edges. And for the same location, the total currents of the systems with the sulfur (S) line defect are larger than the according systems with the molybdenum (Mo) line defect. All the considered systems present magnetism properties. And in the S line defected systems, the spin reversal behaviors can be observed. In both the spin-up and spin-down states of the Mo line defected systems, there are obvious negative differential resistance behaviors. The mechanisms are proposed for these phenomena. [ABSTRACT FROM AUTHOR]

To achieve high-performance aqueous rechargeable alkaline batteries (ARABs), durable and high-rate anode materials should be developed. Bi-based materials have always been considered as promising anodes due to their enormous capacity, adequate negative operating voltage range, and three-electron redox characteristics. Nonetheless, the poor kinetics and low cycling stability of bi-based materials have severely limited their applications for ARABs. Here inspired by the unique structural characteristic of two-dimensional (2D) materials with a fast ion diffusion channel and relatively robust structure, 2D/2D Bi 2 O 2 S@rGO nanosheets were synthesized using a one-step hydrothermal process as the anode material for ARABs. At a current density of 1 A g−1, the as-optimized anodes exhibit a high specific capacity of 250.51 mAh g−1. Using Bi 2 O 2 S@rGO NSs as the anode and (NiCo) 9 S 8 as the cathode, the full cell exhibit a high energy density of 82.91 W h kg−1, a high power density of 7.59 kW kg−1, and excellent cycling stability, with a capacity retention rate of 92.74% after 5,000 cycles. This work could open up a way for environmentally friendly and high-performance anode materials. [ABSTRACT FROM AUTHOR]

The spin-dependent electronic transport properties of heterojunction constructed by bare zigzag graphene nanoribbon and hexagonal boron nitride nanoribbon are investigated by the non-equilibrium Green's function method in combination with the density functional theory. The results show that the giant magnetoresistance effect can be realized in the heterojunction, and the magnetoresistance ratio can reach to 10 6 . Moreover, it is found that the heterojunction is a good spin-filtering device with nearly 100% spin filtering efficiency at a wide bias voltage region in both ferromagnetic and antiferromagnetic magnetic configurations. [ABSTRACT FROM AUTHOR]

In this paper, we study the time-discretized compressible magnetohydrodynamic equations posed in a bounded domain of $${\mathbb{R}^{3}}$$ and equipped with boundary conditions. We prove the existence of generalized solutions for the adiabatic exponent γ > 1. [ABSTRACT FROM AUTHOR]

Background/Aims: Angiotensin II (Ang II) plays a critical role in the cardiac remodeling contributing to heart failure. However, the gene expression profiles induced by Ang II in the early stage of cardiac remodeling remain unknown. Methods: Wild-type male mice (C57BL/6 background, 10-weeek-old) were infused with Ang II (1500 ng/kg/min) for 7 days. Blood pressure was measured. Cardiac function and remodeling were examined by echocardiography, H&E and Masson staining. The time series microarrays were then conducted to detected gene expression profiles. Results: Microarray results identified that 1,489 genes were differentially expressed in the hearts at day 1, 3 and 7 of Ang II injection. These genes were further classified into 26 profiles by hierarchical cluster analysis. Of them, 4 profiles were significant (No. 19, 8, 21 and 22) and contained 904 genes. Gene Ontology showed that these genes mainly participate in metabolic process, oxidation-reduction process, extracellular matrix organization, apoptotic process, immune response, and others. Significant pathways included focal adhesion, ECM-receptor interaction, cytokine-cytokine receptor interaction, MAPK and insulin signaling pathways, which were known to play important roles in Ang II-induced cardiac remodeling. Moreover, gene co-expression networks analysis suggested that serine/cysteine peptidase inhibitor, member 1 (Serpine1, also known as PAI-1) localized in the core of the network. Conclusions: Our results indicate that many genes are mainly involved in metabolism, inflammation, cardiac fibrosis and hypertrophy. Serpine1 may play a central role in the development of Ang II-induced cardiac remodeling at the early stage. © 2015 S. Karger AG, Basel [ABSTRACT FROM AUTHOR]

The photocatalytic toluene selective oxidation reactions have drawn much attention owing to their mild conditions, low costs and green products. However, there are two central questions, including the requirements for photocatalysts (the value of oxidation potential E ox ∘ ) and thermodynamically favored reaction pathway for photocatalytic toluene selective oxidation into benzaldehyde reactions that have not been addressed, which hinders from searching highly efficient photocatalysts, leading to low quantum yield and low selectivity of target products. Moreover, the influences of water (solute) on photocatalytic toluene selective oxidation reactions are still elusive. To solve these problems, in this work, we demonstrate the mechanisms of photocatalytic toluene selective oxidation reactions at free state, and take Ti3O6 cluster as an example to investigate mechanisms of adsorbed state on Ti3O6 cluster using density functional theory calculations. We obtain a larger value of oxidation potential E ox ∘ versus standard hydrogen electrode (1.69 V with CBS-QB3 basis set) of photocatalytic toluene selective oxidation comparing with that of photocatalytic water splitting (1.23 V), which represents the high expectation for photocatalysts. Besides, the real rate-determining step for oxidizing toluene into benzaldehyde reactions (the dehydration reaction of C6H5CH2OOH) is presented, and its energy barrier is 47.5 kcal/mol. Moreover, the double-edged sword roles of water (solute) are demonstrated. Our results not only provide theoretical guides for studying the mechanisms of photocatalytic selective oxidation of toluene, but also point a way for searching high-efficiency photocatalysts. [ABSTRACT FROM AUTHOR]

N-Phenylphosphoramidothioic dichloride was successfully synthesized from the reaction of thiophosphoryl chloride and phenylamine. Ammonia was used as acid-binding agent in the reaction. The product was fully characterized by IR, NMR (1H,13C, and31P), and EA. Under the optimized conditions, the overall yield was 85%. There are many advantages for this synthesis method such as simple synthesis procedure, low cost of production, and few by-products. [ABSTRACT FROM PUBLISHER]

The article presents a case study of a 28-year-old woman who developed a diffuse reddish hyperkeratosis with scaling and suffered leukokeratosis and fissures on her tongue. The patient then underwent clinical examination which revealed a progressive Nagashima-type of palmoplantar keratosis and a Sanger sequencing method. The article also discusses the genetic aspects of palmoplantar keratosis.

Based on nonequilibrium Green's function in combination with density functional theory calculations, the spin-dependent electronic transport properties of one-dimensional zigzag molybdenum disulfide (MoS2) nanoribbons with V-shaped defect and H-saturation on the edges have been studied. Our results show that the spin-polarized transport properties can be found in all the considered zigzag MoS2 nanoribbons systems. The edge defects, especially the V-shaped defect on the Mo edge, and H-saturation on the edges can suppress the electronic transport of the systems. Also, the spin-filtering and negative differential resistance behaviors can be observed obviously. The mechanisms are proposed for these phenomena. [ABSTRACT FROM AUTHOR]

Based on the nonequilibrium Green's function (NEGF) in combination with density functional theory (DFT) calculations, we study the electronic structures and transport properties of zigzag MoS2 nanoribbons (ZMNRs) with V-shaped vacancy defects on the edge. The vacancy formation energy results show that the zigzag vacancy is easier to create on the edge of ZMNR than the armchair vacancy. Both of the defects can make the electronic band structures of ZMNRs change from metal to semiconductor. The calculations of electronic transport properties depict that the currents drop off clearly and rectification ratios increase in the defected systems. These effects would open up possibilities for their applications in novel nanoelectronic devices. [ABSTRACT FROM AUTHOR]

Abstract: Using the first-principle calculations, we investigate the spin-dependent transport properties of Fe-substituted zigzag graphene nanoribbons (ZGNRs). The substituted ZGNRs with single or double Fe atoms, distributing symmetrically or asymmetrically on both edges, are considered. Our results show Fe-substitution can significantly change electronic transport of ZGNRs, and the spin-filter effect and negative differential resistance (NDR) can be observed. We propose that the distribution of the electronic spin-states of ZGNRs can be modulated by the substituted Fe and results in the spin-polarization, and meanwhile the change of the delocalization of the frontier molecular orbitals at different bias may be responsible for the NDR behavior. [Copyright &y& Elsevier]