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Transition metal-free half-metallicity recently has been the subject of intense research activity due to its potential in spintronics application. By employing density functional theory calculations, we revealed that F-intercalated GaN bilayers exhibit robust p orbital-based half-metallicity against the intercalant concentration and biaxial strain of −10% to 10%. The stable half-metallicity results from a spontaneous phase transition through Stoner instability and can be attributed to unusually high density of states near the Fermi level due to the quasi-flat bands. These findings provide a strategy to design transition-metal free half-metallic materials for futuristic spintronic applications. [ABSTRACT FROM AUTHOR]

With the advent of semiconductor spintronics, spin-polarized electron–hole plasmas could occur in semiconductors, leading to spin-dependent many-body effects. To understand these many-body effects, spin-dependent bandgap renormalization (BGR) often needs to be calculated quantitatively, which requires to know the fractional contribution of electrons (k) to the total BGR induced by the electron–hole plasma. However, the measurement of the k value is challenging because BGR is usually submerged or partially offset by the strong band-filling effect. Facing this challenge, we develop a new experimental technique which could measure spin-dependent many-body effects without the influence from the band-filling effect. The presented technique is employed in intrinsic bulk GaAs, with a dynamic model developed to extract the k value from the measured data. It is found that the k value in bulk GaAs increases with increasing concentration of the photoinjected electron–hole plasma but is consistently much less than the reported value in GaAs quantum wells. These results reveal obviously different many-body interactions in bulk GaAs and its quantum wells. [ABSTRACT FROM AUTHOR]

Recently, theoretical search has found that a two-dimensional CuCl3 monolayer is a ferromagnetic semiconductor. Here, we apply density functional theory to study its geometrical structure, magnetic and electronic properties under the influence of a biaxial strain ε. It is found that the CuCl3 monolayer exhibits ferromagnetic ordering at the ground state with ε = 0 and its Curie temperature increases monotonously with respect to the biaxial strain, which can be increased to about 100 K at 10% tensile strain. When a compressive strain of about 6.8% is applied, a transition from the ferromagnetic to the antiferromagnetic state occurs. In addition to the transition of the magnetic ground state, the electronic band gaps of spin-up and spin-down electrons undergo direct–indirect and indirect–direct–indirect transitions at the tensile strains, respectively. The tunable magnetic and electronic properties investigated in this work are helpful in understanding the magnetism in the CuCl3 monolayer, which is useful for the design of spintronic devices based on ferromagnetic semiconductors. [ABSTRACT FROM AUTHOR]

Recently, extensive experimental and theoretical studies on two-dimensional materials have attracted enormous interest in exploring the properties of these materials by decorating their surfaces. In the present work, we present a detailed investigation of the structures, and electronic and magnetic properties of pristine, hydrogenated, and fluorinated BeO monolayers using the ab initio density functional theory approach. Structurally, the most stable adsorption sites are directly above the host Be atom for half-hydrogenation, above the middle of the Be–O bond for half-fluorination, and directly above the host Be atom and below the host O atom for full-hydrogenation and full-fluorination. Moreover, the electronic and magnetic properties of the BeO monolayer exhibit high sensitivity to chemical functionalization: half-hydrogenation induces nonmagnetic–magnetic transition and the reduction of the band gap reaches about 75%. Full-hydrogenation results in metallization of the BeO monolayer. Half-fluorination makes the BeO monolayer a 100% spin polarized material regardless of the adsorption site. However, depending on different adsorption sites, full-fluorination can produce either magnetically half-metallic or nonmagnetic semiconductor structures. These results demonstrate that the tunability of the electronic and magnetic properties of the BeO monolayer can be realized by chemical functionalization for future nano-electronic and spintronic device applications. [ABSTRACT FROM AUTHOR]

Platinum ditelluride (PtTe2) has many applications in phototransistors, photodetectors, photocatalysis and other fields due to its interesting semiconductor-to-semimetal transition property, ultrashort excited carrier lifetime, high carrier mobility, excellent air stability, and so on. However, the ultrafast nonlinear optical properties of PtTe2 and its application in ultrafast photonics have been rarely explored so far. In this work, PtTe2 nanosheets were prepared and two kinds of saturable absorbers (SAs) were further fabricated, namely the PtTe2/PVA film and PtTe2 coated tapered fiber. The results showed different nonlinear absorption properties for the two SAs. The modulation depth and saturation intensity were determined to be 0.9% and 55.7 MW cm−2 for the PVA film, and 8.9% and 1.39 GW cm−2 for the tapered fiber, respectively. More importantly, Q-switched and mode-locked Er-doped fiber lasers were realized using the PtTe2/PVA film and PtTe2 coated tapered fiber SAs, respectively. The pulse widths of the Q-switched and mode-locked fiber lasers are 2.63 μs and 959 fs, respectively. These results confirm that PtTe2 has great potential in ultrafast photonic applications, and moreover, the PtTe2 coated tapered fiber SA is more suitable for mode-locked fiber lasers because of its lower nonsaturable absorption loss and larger modulation depth by contrast to the PVA film SA. [ABSTRACT FROM AUTHOR]

The rapid decline of Arctic sea ice has been reminding us the significant impacts caused by global warming. However, the other side of the coin is that this opens a window to utilize the Arctic sea routes in the summer seasons, bringing remarkable economic benefits for ocean transportation between Asia and Europe. However, commercial vessels with low ice classes must tackle substantial environmental challenges in the Arctic sea routes, particularly those caused by variable sea ice, even in the melting seasons. Therefore, the science-based support for shipping safety in the Arctic sea routes is being given more prominence. Emerging satellite remote sensing technology plays a critical role in environmental monitoring in the Arctic. This paper reviews state-of-the-art satellite observations on monitoring sea ice and potential applications on supporting shipping activities in the Arctic Ocean. Moreover, we introduced a recently developed system based on satellite observations to support the safe transportation of Chinese cargo vessels in the Arctic northern sea route, demonstrating the efforts by both the science and business communities to promote the development of the polar silk road. [ABSTRACT FROM AUTHOR]

Objectives: Aseptic loosening (AL) is the most common reason of total hip arthroplasty (THA) failure and revision surgery. Osteolysis, caused by wear particles released from implant surfaces, has a vital role in AL. Although previous studies suggest that wear particles always lead to osteoblast programmed death in the process of AL, the specific mechanism remains incompletely understood and osteoblast ferroptosis maybe a new mechanism of AL. Materials and Methods: CoCrMo nanoparticles (CoNPs) were prepared to investigate the influence of ferroptosis in osteoblasts and calvaria resorption animal models. Periprosthetic osteolytic bone tissue was collected from patients who underwent AL after THA to verify osteoblast ferroptosis. Results: Our study demonstrated that CoNPs induced significant ferroptosis in osteoblasts and particles induced osteolysis (PIO) animal models. Blocking ferroptosis with specific inhibitor Ferrostatin‐1 dramatically reduced particle‐induced ferroptosis in vitro. Moreover, in osteoblasts, CoNPs significantly downregulated the expression of Nrf2 (nuclear factor erythroid 2‐related factor 2), a core element in the antioxidant response. The overexpression of Nrf2 by siKeap1 or Nrf2 activator Oltipraz obviously upregulated antioxidant response elements (AREs) and suppressed ferroptosis in osteoblasts. Furthermore, in PIO animal models, the combined utilization of Ferrostatin‐1 and Oltipraz dramatically ameliorated ferroptosis and the severity of osteolysis. Conclusions: These results indicate that CoNPs promote osteoblast ferroptosis by regulating the Nrf2‐ARE signalling pathway, which suggests a new mechanism underlying PIO and represents a potential therapeutic approach for AL. [ABSTRACT FROM AUTHOR]

The discovery of two-dimensional monolayer CrI3 provides a promising possibility for developing spintronic devices. However, the low Curie temperature is an obstacle for practical applications. Here, based on the consideration of the superexchange interaction of ferromagnetic coupling, we investigate the effect of introducing I-vacancies and interstitial H-atoms on the Curie temperature of monolayer CrI3 by using first-principles calculations and Monte Carlo simulations. Our theoretical conclusions show that the Curie temperature of Cr8I23 (CrI2.875), Cr8I22 (CrI2.75) and Cr8I24H (CrI3H0.125) significantly increases to 97.0, 82.5 and 112.4 K, respectively. Moreover, the magnetic moment of the Cr atom increases from 3.10 to 3.45 and 3.46μB in monolayers Cr8I23 and Cr8I22, respectively. We provide more alternative approaches to effectively enhance the Curie temperature of monolayer CrI3, which will help both theoretical and experimental researchers to directly predict the change in Curie temperature of CrI3 and its analogs through structural information. [ABSTRACT FROM AUTHOR]

A thermodynamic model for the diameter- and length-dependent melting temperature Tm(D,L) of nanorods has been proposed from the perspective of the Gibbs free energy together with the size-dependent interface energy, where D and L denote the diameter and the length of the nanorods. As the model describes, Tm(D,L) decreases with a decrease in D and L, where the diameter effect is dominant while the length effect is secondary. Agreements between model predictions and the available experimental and molecular dynamics simulation results can be found for Sn and Cu nanorods, which enabled us to determine the size dependence of the magnetostructural transition temperature in MnBi nanorods. This work is helpful for the design and application of nanoscale devices. [ABSTRACT FROM AUTHOR]

With structural miniaturization down to the nanoscale, some detectable parameters of materials no longer remain constant. For NiO nanoparticles example, Raman shift and Néel temperature increase while optical band gap decreases with increasing the nanoparticle size. Herein, we developed the analytic models to describe the size dependence of these above-mentioned seemingly uncorrelated parameters for NiO nanoparticles, based on the average coordination number-dependent cohesive energy model. Consistency between our theoretical predictions and the corresponding experimental results not only verified the accuracy of our developed models but also provided insight into the essentiality of cohesive energy in describing the effect of size on the materials properties of NiO nanoparticles. [ABSTRACT FROM AUTHOR]

are promising candidates for the permanent magnets since they can show ferromagnetism and large anisotropy by substituting Mg for Ce in a paramagnetic compound. In this work, a room-temperature ferromagnetism with a second-order magnetic phase transition is observed in the (CMC) compound prepared by a cold crucible levitation melting method. Based on the DC magnetization data, the critical phenomenon around the phase transition point () in CMC is investigated and the critical exponents for spontaneous magnetization, for susceptibility and for critical isothermal magnetization are determined independently by three different data processing techniques including the modified Arrott plot, Kouvel-Fisher plot, and critical isotherm analysis. It is noteworthy that the magnetizations obey the scaling equation, indicating that the critical parameters including Tc, , and are reliable and self-consistent. The calculation of spin interaction with the obtained critical exponents further suggests a long-range ferromagnetic coupling with in CMC. [ABSTRACT FROM AUTHOR]

Abstract Vasoactive intestinal peptide receptor 1 (VIPR1) is observed to express differently in human malignancies. Here, we aim to reveal clinical significance and transcriptional regulation mechanism of VIPR1 in hepatocellular carcinoma (HCC). Using immunohistochemistry, pyrosequencing, quantitative real-time PCR (qPCR), decitabine (DAC)/4-phenylbutyricacid (PBA) treatment and chromatin immunoprecipitation (ChIP), we found the low expression of VIPR1 was correlated with poor histological differentiation and poor survival. The promoter region of VIPR1 was methylated and DNA methylation inhibited VIPR1 gene transcription. Deacetylation of H3K27 in the promoter of VIPR1 inhibited the transcription of VIPR1 in HCC. In conclusion, low expression of VIPR1 had an adverse prognostic impact on HCC, and such expression is at least partially mediated by epigenetic modification. Highlights • Low expression of VIPR1 was correlated with poor survival in HCC patients. • The frequency of genetic alteration in VIPR1 is very low in HCC. • DNA methylation inhibited VIPR1 transcription. • H3K27 deacetylation inhibited the transcription of VIPR1. [ABSTRACT FROM AUTHOR]

Objective: To evaluate the anti-inflammatory effectiveness of celecoxib and its effect on the rehabilitation of joint function after total knee arthroplasty.Methods: 72 patients presented between 2016 and 2017 and were divided into two groups. The experimental group was given 200 mg celecoxib twice daily with tramadol hydrochloride 50 mg twice daily (as required); the control group was given tramadol hydrochloride 50 mg twice daily for 6 weeks from the first day after total knee arthroplasty. Skin temperature around the knee was measured 1 day before surgery, on postoperative days 1 and 3, and at weeks 1, 2, and 6. Inflammatory markers (white blood cell count, C-reactive protein, erythrocyte sedimentation rate, and interleukin-6) were measured preoperatively, on postoperative day 3, and at weeks 1 and 6. Knee Society Score was recorded preoperatively and at postoperative weeks 1, 2, and 6.Results: Except for preoperative skin temperature, the recorded skin temperatures of the experimental group were significantly different compared to those of the control group (p = 0.001, 0.024, 0.030, 0.041, 0.047, respectively). Levels of C-reactive protein were significantly different at the 1st and the 6th week after surgery, differing by 19.3 ± 4.64 mg/L (p < 0.001) and 2.6 ± 0.92 mg/L (p = 0.006). Levels of interleukin-6 showed a significant difference of 6.61 ± 2.36 pg/mL (p = 0.007) at the 1st week after surgery. Until the 6th week after surgery, the erythrocyte sedimentation rate in the experimental group and the control group differed by 17 ± 4.6 mm/h (p = 0.001).Conclusions: Celecoxib has a significant inhibitory effect on postoperative aseptic inflammation. [ABSTRACT FROM AUTHOR]

Abstract: Osteoarthritis (OA) is a common degenerative disease characterized by the progressive destruction both articular cartilage and the subchondral bone. The agents that can effectively suppress chondrocyte degradation and subchondral bone loss are crucial for the prevention and treatment of OA. Oxymatrine (OMT) is a natural compound with anti‐inflammatory and antitumour properties. We found that OMT exhibited a strong inhibitory effect on LPS‐induced chondrocyte inflammation and catabolism. To further support our results, fresh human cartilage explants were treated with LPS to establish an ex vivo degradation model, and the results revealed that OMT inhibited the catabolic events of LPS‐stimulated human cartilage and substantially attenuated the degradation of articular cartilage ex vivo. As subchondral bone remodelling is involved in OA progression, and osteoclasts are a unique cell type in bone resorption, we investigated the effects of OMT on osteoclastogenesis, and the results demonstrated that OMT suppresses RANKL‐induced osteoclastogenesis by suppressing the RANKL‐induced NFATc1 and c‐fos signalling pathway in vitro. Further, we found that the anti‐inflammatory and anti‐osteoclastic effects of oxymatrine are mediated via the inhibition of the NF‐κB and MAPK pathways. In animal studies, OMT suppressed the ACLT‐induced cartilage degradation, and TUNEL assays further confirmed the protective effect of OMT on chondrocyte apoptosis. MicroCT analysis revealed that OMT had an attenuating effect on ACLT‐induced subchondral bone loss in vivo. Taken together, these results show that OMT interferes with the vicious cycle associated with OA and may be a potential therapeutic agent for abnormal subchondral bone loss and cartilage degradation in osteoarthritis. [ABSTRACT FROM AUTHOR]

Objective: To investigate the influence of body mass index (BMI) and hip anatomy on direct anterior approach (DAA) total hip replacement.Subjects and Methods: The study is a retrospective analysis of 124 cases of DAA total hip replacement from 2009 to 2012. The BMI, the ratio of the greater trochanter (GT) and anterior superior iliac spine (ASIS) bilaterally (GT/ASIS), and the vertical distance between the ASIS and GT (AGVD) were obtained from medical records. All cases were categorized into three groups (43, 49, and 32 cases in each group, respectively) based on BMI (BMI <18.5, BMI 18.5-25, and BMI >25) or divided into two groups based on GT/ASIS (≤1.17 or >1.17) or AGVD (≤86 or >86 mm). Operating time, intraoperative bleeding, and surgical complications were compared between different groups.Results: A longer average operating time, more intraoperative bleeding, and a higher rate of complications were observed in the group with the highest BMI. The complications included a case of intraoperative femur fracture, a wound hematoma, and a lateral femoral cutaneous nerve injury. The group with higher GT/ASIS had a shorter average operating time, less bleeding, and a lower complication rate than the group with lower GT/ASIS. Moreover, the group with higher AGVD showed a shorter average operating time, less bleeding, and a lower complication rate compared with the group with lower AGVD.Conclusion: Our study suggests that lower BMI and larger GT/ASIS and AGVD are associated with a shorter operating time, less bleeding, and a lower complication rate in DAA total hip replacement. These findings are valuable for clinicians to make the appropriate choice of surgery types for different individuals. [ABSTRACT FROM AUTHOR]

In this work, the indentation-induced incipient plasticity of Ni 3 Al crystal is investigated by performing molecular dynamics (MD) simulations. Simulation results reveal that the incipient plasticity of Ni 3 Al is originated from the homogeneous nucleation of the 1/6〈1 1 2〉-type Shockley partial dislocation. The critical load, critical contact pressure, dislocation nucleation site and active slip system are significantly affected by crystallographic orientation, model size, indenter radius and temperature. The choice of interatomic potential has significant implications for the indentation behavior of Ni 3 Al. Some benchmarks for evaluating the credibility of interatomic potentials are presented. The pop-in phenomena are correlated with dislocation generation, multiplication and reactions. The formation mechanisms of complex stacking faults (CSFs), antiphase boundaries (APBs) and superlattice intrinsic stacking faults (SISFs) are clarified. The highest indentation modulus is obtained in (1 1 1) indentation followed by the (1 1 0) and (1 0 0) cases. The indentation modulus and the depth of nucleation sites increase with increasing indenter radius but the maximum shear stress decreases. The maximum shear stress and indentation modulus decrease linearly with increasing temperature, reflecting the stress-assisted and thermally activated nature of dislocation nucleation. [ABSTRACT FROM AUTHOR]

A health risk assessment of food crops contaminated with heavy metals (Cu, Zn, Pb, As, Cd, and Cr) through the intake of cereals and vegetables grown from biogas slurry irrigated sites was conducted. In the vegetable soils and cereal soils, the concentrations of Zn, Pb, and Cd were far higher than Chinese agricultural standards. The pollution conditions of the aforementioned heavy metals varied with the seasons. Typically, the pollution was more serious in summer than in autumn. Furthermore, the accumulative properties of the heavy metals were different in the cereals and vegetables. In particular, Cu, Zn, and Pb tended to accumulate in rice with concentrations of 6.70, 36.58, and 4.14 mg kg, respectively. Pb and Cd in cereals and vegetables exceeded the maximum permissible concentrations in China. The health risk assessment revealed that the daily intake (DI) and target hazard quotients (THQs) of Pb, As, and Cd in cereals and vegetables also exceeded the FAO/WHO limit. The results indicated that heavy metal contamination posed a severe health risk to local humans. [ABSTRACT FROM AUTHOR]

• Few-layer NiTe 2 nanosheets are prepared by combining the convenient chemical synthesis and liquid phase exfoliation. • Two-dimensional semi-metallic NiTe 2 exhibits saturable absorption properties, which has been seldom reported. • Er-doped and Tm-doped mode-locked fiber lasers are realized using NiTe 2 -based tapered fiber saturable absorber, respectively. Two-dimensional transition metal dichalcogenides (TMDs) have been widely used in ultrafast optics. However, the traditional TMDs such as MoS 2 and WS 2 have narrow operating band and slow carrier recovery time, limiting their practical application. Among various kinds of TMDs, nickel ditelluride (NiTe 2) is a special type-II Dirac semi-metallic TMD material developed recently, showing great potential in ultrafast pulse generation due to its broadband optical response, ultrafast carrier recovery time, strong light-matter interaction and high chemical stability. Nevertheless, there has been no research reported on the NiTe 2 based saturable absorber (SA) and its application in the mode-locked laser at the 1.5 and 2 μm regions. In this work, few-layer NiTe 2 nanosheets were prepared and SA device was further fabricated by depositing them on a tapered fiber. The saturable absorption property of NiTe 2 SA was confirmed by using a balanced twin-detector measurement system. With the use of NiTe 2 SA, the Er-doped mode-locked fiber laser with a central wavelength of 1567.3 nm and a pulse width of 1.07 ps was achieved. Moreover, the Tm-doped mode-locked fiber laser with a central wavelength of 1966.08 nm was also obtained based on the NiTe 2 SA. These results show that NiTe 2 is a promising SA material for ultrafast pulse laser. [ABSTRACT FROM AUTHOR]

Transition metal salen complex MoO2-salen was successfully tethered onto amino-functionalized graphene oxide (designated as MoO2-salen-GO), which was tested in the of various alkenes using tert-butylhydroperoxide or H2O2 as oxidant. Characterization results showed that dioxomolybdenum(VI) complex was successfully grafted onto the amino-functionalized graphene oxide and the structure of the graphene oxide was well preserved after several stepwise synthesis procedures. Catalytic tests showed that heterogeneous catalyst MoO2-salen-GO was more active than its homogeneous analogue MoO2-salen in the of cyclooctene due to site isolation. In addition, the MoO2-salen-GO catalyst could be reused three times without significant loss of activity. Copyright © 2014 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

Oxovanadium(iv) and iron(iii) salen complexes grafted onto amino-modified graphene oxide (NH2–GO) have been synthesized via a stepwise procedure and the prepared materials were used as heterogeneous catalysts in the aerobic oxidation of styrene. The structures of these materials have been thoroughly investigated using different characterization techniques such as XRD, N2 adsorption–desorption, TEM, FT-IR, diffuse reflectance UV-visible spectroscopy, ICP-AES, TEM, TG, Raman, and XPS. The results of XRD, N2 adsorption–desorption and TEM revealed that the structures of the prepared catalysts were well preserved. In addition, the results of FT-IR, diffuse reflectance UV-visible spectroscopy, ICP-AES, TG, Raman and XPS suggested that the oxovanadium(iv) and iron(iii) complexes had been incorporated onto amino-modified graphene oxide (GO). It was found that the heterogeneous oxovanadium(iv) catalyst was more active than its homogeneous analogue in the epoxidation of styrene, using acetonitrile as solvent and air as the oxidant in combination with the sacrificial co-reductant isobutyraldehyde, due to site-isolation. Furthermore, the tethered vanadium catalyst was quite stable and could be recycled many times. [ABSTRACT FROM AUTHOR]