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The current study presents superposition‐based concurrent multiscale approaches for porodynamics, capable of capturing related physical phenomena, such as soil liquefaction and dynamic hydraulic fracture branching, across different spatial length scales. Two scenarios are considered: superposition of finite element discretizations with varying mesh densities, and superposition of peridynamics (PD) and finite element method (FEM) to handle discontinuities like strain localization and cracks. The approach decomposes the acceleration and the rate of change in pore water pressure into subdomain solutions approximated by different models, allowing high‐fidelity models to be used locally in regions of interest, such as crack tips or shear bands, without neglecting the far‐field influence represented by low‐fidelity models. The coupled stiffness, mass, compressibility, permeability, and damping matrices were derived based on the superposition‐based current multiscale framework. The proposed FEM‐FEM porodynamic coupling approach was validated against analytical or numerical solutions for one‐ and two‐dimensional dynamic consolidation problems. The PD‐FEM porodynamic coupling model was applied to scenarios like soil liquefaction‐induced shear strain accumulation near a low‐permeability interlayer in a layered deposit and dynamic hydraulic fracturing branching. It has been shown that the coupled porodynamic model offers modeling flexibility and efficiency by taking advantage of FEM in modeling complex domains and the PD ability to resolve discontinuities. [ABSTRACT FROM AUTHOR]

Fabric influences the macro scale mechanical properties and behavior of granular materials as a continuum and can be represented by an appropriately defined evolving fabric tensor entering the constitutive equations. In this study, the evolution of fabric tensors under cyclic loading is investigated and quantified by a series of cyclic loading DEM tests. Simulations of the DEM data are made by two different continuum evolution rate equations for the contact normal‐based fabric tensor, both within the Anisotropic Critical State Theory (ACST) framework: the first, is a Basic Fabric Evolution (BFE) equation and the second, is a novel Combined Fabric Evolution (CFE) equation, where a quantity related to particle‐based fabric tensor is considered. The comparison with DEM results highlights the capability of the CFE equation in simulating fabric evolution under cyclic loading for different anisotropy, density, and loading conditions. In addition, such simulations are significantly more accurate in comparison with those obtained by the BFE equation. The reason for the superiority of CFE over the BFE is the incorporation of the influence of the particle orientation fabric on contact normal fabric evolution. Analytical evaluation of CFE further identifies a total of seven periodic stable contact normal fabric evolution patterns that exist under cyclic loading, governed by initial void ratio, intensity of anisotropy, and stress amplitude. The limitation of current fabric evolution equations in being able to only reflect the proportional coaxial part of the fabric tensor with respect to the loading direction is discussed. [ABSTRACT FROM AUTHOR]

The physical properties and stability of orthorhombic FeN2 under high pressure remain an open question. The spin‐polarized first‐principles calculations within the generalized gradient approximation GGA + U functional are used to study the structural, elastic, electronic, magnetic properties and the stability of orthorhombic FeN2 under high pressure. The variations of the lattice constants and bond lengths as a function of pressure in the range 0–100 GPa are presented. The elastic constants, moduli, Poisson's ratio, elastic wave velocities, Debye temperature, and thermal expansion coefficient as a function of pressure in the range 0–100 GPa are also given. The high bulk modulus and low compression make it a promising high‐energy‐density material. FeN2 is both mechanically and dynamically stable in the studied pressure range. FeN2 is elastic anisotropic and its anisotropy increases with pressure. At pressure less than 45 GPa, the orthorhombic FeN2 is a magnetic metal, while at pressure increasing to 45 GPa, a nonmagnetic metal is obtained. When the pressure goes beyond 45 GPa, the outline of the density of states is similar, showing that the pressure has less effect on electronic properties. It is hoped that these results can provide reference for further researches. [ABSTRACT FROM AUTHOR]

HLA‐C*03:652 differs from the HLA‐C*03:04:01:01 by one nucleotide in exon 3. [ABSTRACT FROM AUTHOR]

First‐principles calculations based on density functional theory (DFT‐D2 method) are adopted to systematically investigate the structure stability and sensing properties of NO and NO2 adsorbed on single nonmetals (B, C, and Si) and double nonmetals (1B1C, 1C1Si, and 1B1Si) doped blue phosphorene. The results show the chemisorption of the gas molecules absorbed on single nonmetal doped blue phosphorene with large adsorption energy, charge transfer, and small adsorption distance. Similarly, for gas molecules absorbed on double nonmetal doped blue phosphorene, while NO interaction with 1C1Si co‐doped blue phosphorene is weak. There is a strong hybridization between gas molecules and doped substrates due to the enhancing interaction, resulting in an increasing adsorption ability for gas molecules. We find that the conductivity and work function change caused by nonmetal doping is the main reason for improving the sensitivity of gas molecules, which shows more possibilities for practical gas sensor applications. Therefore, nonmetal doped blue phosphorene provides a new direction for detecting NO and NO2 in the gas sensing field. [ABSTRACT FROM AUTHOR]

The shape of particles can have a great impact on the mechanical behavior of granular material, which is not only limited to general shape measures such as sphericity and roundness, but also applies for small scale measures such as surface asperities. In this study, triaxial tests on 3D printed particles and DEM tests show that small surface asperities on spherical particles can contribute significantly to the peak strength and dilatancy of granular material, which cannot be reflected by simply altering the traditional contact parameters in DEM. Using polydispersed particles with artificially designed surface asperities in the form of bumps for laboratory and DEM triaxial tests, both macro and micro scale behavior of granular material are analyzed to reveal the influence of these small surface asperities. The result shows that surface asperities can change the coordination number, anisotropy, and normal contact force on the micro scale, increasing the interlocking between particles and restricting particle rotation, which leads to the increase of peak strength and dilatancy on the macro scale. Although the commonly adopted approach of introducing rolling resistance to reflect shape influence can help to enhance the simulation of stress‐strain relationship, especially for particles with relatively small artificial asperities, the micro scale influence of rolling resistance and surface asperities are found to be different as the size of the asperities increase. [ABSTRACT FROM AUTHOR]

The objective of the present experiment was to explore the role of NLRP3 inflammasome in the testicular tissue freezing, thawing and grafting; furthermore, the potential effect of a NLRP3 inhibitor on the function of testis transplant was explored. Tissues from male Wistar rats in pre‐pubertal age were cryopreserved, thawed and auto‐transplanted into the scrotum treated or not treated with the MCC950 (a NLRP3 inhibitor). After grafting, cryopreserved tissue was removed and analysed. Quantitative morphometric, immunohistochemical techniques and Western blotting were used to evaluate the survival of spermatogonia and the activation of the NLRP3 inflammasome after freezing/thawing/grafting. Moreover, serum IL‐1β level was assessed with ELISA kits. The testicular transplants exhibited upregulated expression of the NLRP3 pathway meditors (NLRP3, IL‐1β). In NLRP3 inhibition group, the rate of recovered grafts, the percentage of intact tubules and spermatogonial number were significantly higher than that in cryopreserved graft group. Moreover, serum concentration of IL‐1β in NLRP3 inhibition group was significantly lower than that in cryopreserved graft group. Testicular tissue cryopreservation and transplantation exhibited upregulated expression of NLRP3 pathway and NLRP3 inflammasome blockade improves testicular graft function. These finding suggest that NLRP3 inflammasome is a therapeutic target for testicular tissue cryopreservation and transplantation. [ABSTRACT FROM AUTHOR]

The aim of this study is to do a study of cryoinjury and ischaemic injury on testicular graft during cryopreservation and transplantation. According to time at 1, 3, 7 and 14 days after transplantation, the grafts were collected for immunohistochemistry assay for CD34 (blood vessel marker), VEGF (neoangiogenesis marker), caspase‐3 (apoptosis marker) MAGE‐A4 (germ cell marker). A significant increase was observed in the density of VEGF‐positive blood vessels on day 3, reached a peak on day 7. On post‐transplant day 3, a sharp increase occurred in the rate of spermatogonia‐expressing caspase‐3 until the day 7. At 14th day after transplantation, the spermatogonia number per round tubule of nonfrozen grafts was 41 ± 5.9% from that of fresh control tissues, while, in frozen‐thawed grafts, the spermatogonia number per round tubule was 36.8 ± 4.6% from that of fresh control tissues. In testicular grafts, angiogenesis initiated reperfusion from day 3, and the formation of new blood vessel generally is completed about 7 days after transplantation. Angiogenesis in grafts after transplantation plays a crucial role in the restoration of function. Therefore, minimising ischaemic injury as well as improvement of cryopreservation protocols are needed to improve testicular graft after freezing, thawing and grafting. [ABSTRACT FROM AUTHOR]

Polyvinylidene fluoride‐based separators for secondary battery have attracted enormous attention both in academia and in industries during the last decade. In this study, a facile, cost‐effective, and environmentally friendly melt extrusion‐stretching (MES) process was applied to prepare high performance PVDF microporous membranes for separator applications. In order to achieve a balance between the formation of row‐nucleated lamellar structure and sufficient lamellae separation during stretching, a blend of high‐ and low‐molecular‐weight PVDF grades was chosen as raw material. Meanwhile, the effects of annealing time on physical and mechanical properties of PVDF cast films and membranes were systematically investigated, demonstrating that 6 h @145°C annealing treatment can lead to a preferable crystalline structure for the following stretching process. Therefore, PVDF membrane with high porosity, high electrolyte uptake ratio, and superior tensile strength was obtained by this MES process. Interestingly, the increase of β phase content by stretching was not significant for this PVDF membrane, revealing that the formation of micropores/microfibrils in the stretching process would lead to stress relaxation and less crystalline structure conversion. [ABSTRACT FROM AUTHOR]

A three‐dimensional (3D) anisotropic plasticity model for sand is formulated in this study to provide a constitutive description for both radial and principal stress axes rotation (PSAR) loading‐induced behavior under various conditions with a single set of model parameters. The model has zero elastic range, with plastic loading and flow direction dependent on both current stress and stress rate direction. Fabric tensor is introduced along with its evolution to achieve anisotropic plastic modulus, dilatancy, and flow rule formulations. Increase in plastic modulus under continuous PSAR achieves eventual convergence of strain accumulation. A unique decomposition of dilatancy controls the overall contraction and periodic dilatancy oscillation under PSAR. The performance of the model is first thoroughly evaluated based on drained/undrained, monotonic shear/PSAR tests on Toyoura sand, showing its effectiveness in reproducing the behavior of real sand. Discrete element method numerical test results are then adopted for comprehensive calibration of the model parameters, and then for validation of the model under 3D PSAR in any arbitrary direction. These comparisons highlight the model's capability in simulating the behavior of granular soil under 3D stress paths. [ABSTRACT FROM AUTHOR]

The effects of various vacancies and group‐VIB and VIIB transition metal substitutional doping on the structural, electronic, and magnetic properties of monolayer HfS2 are studied by first‐principles calculations. The results show that pristine monolayer HfS2 is a nonmagnetic semiconductor; it becomes a metal on creating a single V1Hf or V1S vacancy, whereas it is still a semiconductor on creating V1Hf+1S divacancy or V1Hf+2S trivacancy. The V1Hf single vacancy and V1Hf+1S divacancy induce magnetic moments of 3.265 and 2.000 μB, respectively, whereas the V1S single vacancy and V1Hf+2S trivacancy do not induce any magnetic moments. One of the group‐VIB and VIIB transition metal atoms substituting for one Hf atom in the monolayer HfS2 induces magnetic moments of about 2.000 and 3.000 μB, respectively. Furthermore, the spin‐polarized band structures show that the Cr‐doped monolayer HfS2 is a magnetic metal, whereas the Mn‐, Tc‐, and Re‐doped monolayer HfS2 are magnetic semiconductor. The Mo‐ and W‐doped monolayer HfS2 are magnetic half metal with wide spin‐down bandgaps of 0.975 and 1.074 eV, respectively, and thus can be used in nanoelectronics and spintronics devices. [ABSTRACT FROM AUTHOR]

Background: It has been reported that paternal folic acid deficiency is correlated with male infertility and increased birth defects in the offspring. However, there are few data concerning the influence of folic acid supplementation on male‐factor infertility with MTHFR gene polymorphisms. Objectives: To evaluate whether folic acid supplementation has a beneficial effect on oligozoospermia with MTHFR gene polymorphisms in Chinese infertility population. Materials and methods: The infertile men suffering oligozoospermia with MTHFR gene polymorphisms were randomly divided into the folic acid treatment groups receiving folic acid 0.8 mg daily for 3 months and the placebo groups receiving placebo for 3 months. Semen parameters, seminal MDA, and DNA fragmentation were measured. Furthermore, spontaneous pregnancy rate and live birth rate were evaluated. Results: Administration of folic acid for 3 months could significantly improve the seminal parameters in patients with MTHFR 677 TT genotype in comparison with that receiving placebo. Moreover, seminal MDA and sperm DNA fragmentation index in patients with MTHFR 677 TT genotype significantly declined at the end of treatment. Spontaneous pregnancy rate and live birth rate tended to be significantly higher in couples in which the men with MTHFR 677 TT genotype receiving folic acid than that receiving placebo. However, folic acid treatment did not exhibit any advantage in MTHFR 677 CT, 1298 AC, 1298 CC, 1793 GA, or combined 677 CT/1298 AC genotype. Discussion: The anti‐oxidation function of folic acid is one of possible mechanisms invovled in improving seminal parameters and pregnancy outcome. Conclusions: Folic acid supplementation has a beneficial effect on oligozoospermia with MTHFR 677 TT genotype in term of seminal parameters, seminal MDA, sperm DNA fragmentation, and pregnancy outcome. [ABSTRACT FROM AUTHOR]

Summary: Three‐dimensional Discrete Element Method simulations have been performed to study the deformation of cross‐anisotropic granular materials under principal stress rotation (PSR), for rotation planes oriented at different angles θ with respect to the bedding plane. The simulations have been conducted with a novel technique for applying specified stresses at three‐dimensional boundaries. The results are qualitatively in agreement with experimental results from literature. Cumulative volume contraction is always observed under continuous PSR and increases with increasing θ. The dilatancy rate decreases with increasing number of PSR cycles, tending to zero. The noncoaxiality angle between the strain increment and the stress in the PSR plane increases with increasing number of cycles, reaching the same asymptotic value for samples of various densities and for various θ. Periodic oscillations of the dilatancy rate and noncoaxiality angle within each PSR cycle are observed with an increasing oscillation magnitude with increasing θ, due to the larger fabric anisotropy within the PSR plane. When θ = 30 or 60°, significant noncoaxial strain accumulation occurs in the plane perpendicular to the PSR plane due to the oblique angle between the PSR plane and the bedding plane, echoing the major principal fabric direction's being neither parallel nor perpendicular to the PSR plane. The macroscopic behavior of the samples is related to the microscopic parameters including coordination number and fabric anisotropy. With increasing number of cycles, the difference between normalized stress/strain/fabric increment tensors tends to become constant, with only a small lag between each pair, irrespective of θ. [ABSTRACT FROM AUTHOR]

Background and Purpose: The aim of this study is to identify the early predictors for delayed cerebral ischemia (DCI) and develop a risk stratification score by focusing on the early change after aneurysmal subarachnoid hemorrhage (aSAH). Methods: The study retrospectively reviewed aSAH patients between 2014 and 2015. Risk factors within 72 hours after aSAH were included into univariable and multivariable logistic regression analysis to screen the independent predictors for DCI and to design a risk stratification score. Results: We analyzed 702 aSAH patients; four predictors were retained from the final multivariable analysis: World Federation of Neurosurgical Societies scale (WFNS; OR = 4.057, P < .001), modified Fisher Scale (mFS; OR = 2.623, P < .001), Subarachnoid Hemorrhage Early Brain Edema Score (SEBES; OR = 1.539, P = .036), and intraventricular hemorrhage (IVH; OR = 1.932, P = .002). According to the regression coefficient, we created a risk stratification score ranging from 0 to 7 (WFNS = 3, mFS = 2, SEBES = 1, and IVH = 1). The new score showed a significantly higher area under curve (0.785) compared with other scores (P < .001). Conclusion: The early DCI score provides a practical method at the early 72 hours after aSAH to predict DCI. [ABSTRACT FROM AUTHOR]

A new type of self‐reinforced composite based on high‐performance aramid fibers was developed to produce an "all‐aramid" composite by applying a surface‐dissolution method to fuse poly(p‐phenyleneterephthalamide) (PPTA) fibers together. After immersion in concentrated (95%) sulphuric acid (H2SO4) for a selected period of time, partially dissolved fiber surfaces are converted into a PPTA matrix phase. Following extraction of sulphuric acid and drying, a consolidated composite structure is formed. By examining the microstructure and mechanical properties of all‐aramid composites, it was found in our previous study that the optimal immersion time of aramid fibers in 95% sulphuric acid was 120 s. In this article, other processing variables—including initial and final coagulation, coagulation time, consolidation pressure, and time—were regulated and their effects on the morphology, mechanical properties and, crystallization of all‐aramid composites were investigated and discussed. A series of optimal surface‐dissolution processing conditions were achieved to obtain the best‐achievable microstructure and mechanical properties of all‐aramid composites. All‐aramid composites prepared with these optimum conditions possess excellent mechanical properties along the direction of orientation with tensile strength of 1.44 GPa and tensile modulus of 76.8 GPa. As fiber, matrix, and interphase in all‐aramid composites are based on the same high‐temperature‐resistant PPTA polymer, these materials have the prospective potential for high‐temperature applications. POLYM. COMPOS., 39:3307–3316, 2018. © 2017 Society of Plastics Engineers [ABSTRACT FROM AUTHOR]

A new self‐reinforced polymer composite based on high‐performance aramid fibers was successfully prepared by applying an elaborately designed surface‐dissolution method to fuse poly(p‐phenylene terephthalamide) (PPTA) fibers and consolidate them into "all‐aramid" composites. A mixture of phosphoric acid (H3PO4) and sulfuric acid (H2SO4) was selected as a milder alternative to highly concentrated sulfuric acid which was used in our previous study. This milder solvent requires longer immersion times to partially dissolve PPTA fiber surfaces, therefore a more controllable consolidation process to create all‐aramid composites. After selection of the optimal H3PO4/H2SO4 concentration, PPTA fibers were immersed in the mixed solvent for selected periods of time to partially dissolve PPTA fiber surfaces and convert them into the matrix phase which is needed to fuse the remaining PPTA fiber cores together. Following extraction of the mixed solvent and drying, a consolidated all‐aramid composite was formed. The structure, mechanical‐, and thermal properties of these all‐aramid composites were investigated and reported. Based on high temperature performance of aramid fiber, these all‐aramid composites are promising candidates for high temperature applications. POLYM. COMPOS., 39:3013–3021, 2018. © 2017 Society of Plastics Engineers [ABSTRACT FROM AUTHOR]

The strength anisotropy of granular materials deposited under gravity has mostly been attributed to elongated particles' tendency to align long axes along the bedding plane direction. However, recent experiments on near-spherical glass beads, for which preferred particle alignment is inapplicable, have exhibited surprisingly strong strength anisotropy. This study tests the hypothesis that certain amount of fabric anisotropy caused by the anisotropic stress during deposition under gravity can be locked in a circular-particle deposit. Such locked-in fabric anisotropy can withstand isotropic consolidation and leads to significant strength anisotropy. 2D discrete element method simulations of direct shear tests on circular-particle deposits are conducted in this study, allowing for the monitoring of both stress and fabric. Simulations on both monodispersed and polydispersed circular-particle samples generated under downward gravitational acceleration exhibit clear anisotropy in shear strength, thereby proving the hypothesis. When using contact normal-based and void-based fabric tensors to quantify fabric anisotropy in the material, we find that the intensity of anisotropy is discernible but low prior to shearing and is dependent on the consolidation process and the dispersity of the sample. The fact that samples with very low anisotropy intensity measurements still exhibit fairly strong strength anisotropy suggests that current typical contact normal-based and void-based second-order fabric tensor formulations may not be very effective in reflecting the anisotropic peak shear strength of granular materials. Copyright © 2017 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

The effects of the kinds (M=V, Cr, Mn, Fe, Co, and Ni) and separation distances (d=3.252, 4.600, 5.635, 6.504, 7.273, and 8.607Å for (0, i=1–6) configurations, respectively) of two identical 3d transition metal (TM) atoms M doping on the structural, electronic and magnetic properties of ZnO have been investigated by using spin-polarized first-principles calculations. The formation energies of two identical M atoms doped ZnO systems are lower under O-rich condition than under Zn-rich condition and the formation energy minimization shows the Mn-doped ZnO system is the easiest to form and there exists a clustering trend for two identical M dopants. The ferromagnetic coupling between two identical M atoms under double-exchange mechanism leads to V (0, i=1–6), Cr (0, i=1–6), Fe (0, 2), and Ni (0, i=4–6) cases to be half-metal with integer total magnetic moments of 6, 8, 8, and 4μB, respectively. Whereas, the antiferromagnetic coupling between two identical M atom under superexchange mechanism leads to Mn (0, i=1–6) and Co (0, i=1–6) cases as well as Fe (0, i ≠ 2) and Ni (0, i=1–3) cases to be nonmagnetic semiconductor as well as nonmagnetic metal, respectively. [ABSTRACT FROM AUTHOR]

Objective To evaluate the association between F11 rs2289252, rs2036914 polymorphisms and the activity of clotting factor XI in post-trauma patients with fractures receiving routine anticoagulation therapy for deep venous thrombosis ( DVT). Methods A case-control study involving 110 consecutive post-trauma patients with fractures and DVT in our hospital was conducted from April 2014 to October 2015; these patients comprised a DVT group. Another 40 sex- and age-matched patients with fractures but without DVT served as controls. Additionally, 40 sex- and age-matched healthy people were chosen as a normal group. Venous blood samples (2 mL) were drawn from all participants and genomic DNA extracted from the leukocytes of the patients with fracture-related DVT, whose genotype and allele frequency distribution of F11 gene rs2089252 and rs2036914 single nucleotide polymorphism were then assessed by a sequencing method. The activity of factor XI was measured by a solidification method in all participants, including those in control and normal groups. Results The activity of factor XI in patients with fracture-related DVT and F11 rs2089252 CT was 1.16 times that of those with CC genotypes ( P < 0.0001), whereas in patients with fracture-related DVT and F11 rs2089252 TT genotypes it was 1.32 times that of those with CC genotypes ( P < 0.0001), in patients with fracture-related DVT and F11 rs2089252 T allele it was 1.24 times that of those with C allele ( P < 0.05), in patients with fracture-related DVT and F11 rs2036914 CC it was 1.35 times that of those with TT genotypes, in patients with fracture-related DVT and F11 rs2036914 CT genotypes it was 1.12 times that of those with TT genotypes ( P < 0.05), and in patients with fracture-related DVT F11 and rs2036914 C allele it was 1.22 times that of those with T allele ( P < 0.05). The activity of factor XI was significantly higher in the control than in the normal group ( P < 0.05). Conclusions High activity of factor XI indicates a risk of occurrence of DVT in post-trauma patients with fractures. F11 rs2089252 and rs2036914 (single nucleotide polymorphisms) are associated with activity of factors XI in such patients despite prophylaxis. [ABSTRACT FROM AUTHOR]

We have performed the first-principles calculations on the structural, electronic, and magnetic properties of 3d transition-metal™ (Cr, Mn, Fe, Co, and Ni) atoms doped 2D GaN nanosheet. The results show that 3d TM atom substituting one Ga leads to a structural reconstruction around the 3d TM impurity compared to the pristine GaN nanosheet. The doping of TM atom can induce magnetic moments, which are mainly located on the 3d TM atom and its nearest-neighbor N atoms. It is found that Mn- and Ni-doped GaN nanosheet with 100% spin polarization characters seem to be good candidates for spintronic applications. When two Ga atoms are substituted by two TM dopants, the ferromagnetic (FM) ordering becomes energetically more favorable for Cr-, Mn-, and Ni-doped GaN nanosheet with different distances of two TM atoms. On the contrary, the antiferromagnetic (AFM) ordering is energetically more favorable for Fe-doped GaN nanosheet. In addition, our GGA + U calculations show the similar results with GGA calculations. © 2016 Wiley Periodicals, Inc. [ABSTRACT FROM AUTHOR]

We have performed the first-principles calculations on the structural, electronic, and magnetic properties of zigzag GaN nanoribbon (ZGaNNR) with period vacancy located at different sites across the ribbon width. The results show that, the formation of the N-vacancy is easier than that of the Ga-vacancy at each equivalent geometrical site and both of them are endothermic. An inward relaxation of the three nearest Ga atoms around a N-vacancy occurs, while for the three nearest-neighbor N atoms around the Ga-vacancy, an outward relaxation occurs. Except for a typical nonedge N-vacancy, the N-, or Ga-vacancies at other sites induce magnetic moment and spin polarization implying such vacancy-defective ZGaNNRs can be useful in spintronics and nanomagnets. The magnetic moment of the N-vacancy is dependent on defect sites, while for the Ga-vacancy, it is less dependent on the defect sites. The net magnetic moment of the vacancy defective 8-ZGaNNR is mainly contributed by the atoms around a vacancy. [ABSTRACT FROM AUTHOR]

The hippocampus is a key brain region regulating complex cognitive and emotional responses, and is implicated in the etiology of depressive and anxiety disorders, many of which exhibit some degree of sex difference. The male rat hippocampus is consistently reported to be slightly but significantly larger than the female. The majority of studies on the development of volumetric sex differences have focused on the effects of estradiol (E2), with relatively few focusing on androgens. We examined the impact of both E2 and androgens on newly born cells in the developing rat hippocampus, and report that neonatal males have significantly more 5-bromo-2′-deoxyuridine-5′-monophosphate (BrdU)+ cells than females. Both testosterone (T) and dihydrotestosterone treatment of females significantly increased the number of BrdU+ cells, an effect blocked by the androgen receptor antagonist, flutamide. However, only T significantly increased the number of neuronal nuclear antigen+ neurons in the female rat hippocampus. Interestingly, E2 treatment also increased BrdU+ cells in females, but had no effect on neuron number. Instead, E2 and T significantly increased the number of newly born glial fibrillary acidic protein or glutamine synthetase+ glial cells in females, indicating that androgens and E2 may act independently to achieve distinct endpoints. Quantification of pyknotic cells at two different developmental time points indicates no sex difference in the number of cells dying, suggesting, but not proving, that gonadal steroids are promoting cell genesis. [ABSTRACT FROM AUTHOR]

The authors have carried out systematic first‐principles calculations to elucidate the effect of a nonmetal atom (B, C, N, P, As, O, or F) substitutional doping at S site on the structural, electronic, and magnetic properties of single‐layer CrS2 with H phase. The lower formation energy under Cr‐rich condition shows that these doped systems are easy to be realized in experiment. The single‐layer CrS2 is nonmagnetic semiconductor with a direct band gap of 0.93 eV. The numerical results suggest that the nonmetal atoms can effectively modulate the electronic and magnetic properties of single‐layer CrS2. C‐ or O‐doped system is still nonmagnetic semiconductor but the band gap is changed slightly. B‐, N‐, P‐, As‐, or F‐doped system is magnetic compound with total magnetic moments of 1 µB due to the introduced one extra hole or electron. It is worth mentioning that the P‐doped system is half‐metal and As‐doped system is a spin‐gapless semiconductor. Nonmetal atom doping at anion site is indeed an effective method to tune the electronic and magnetic properties of single‐layer CrS2, which have promising applications in spintronics and nanoelectronics. [ABSTRACT FROM AUTHOR]

The authors have carried out systematic first‐principles calculations to elucidate the effect of a nonmetal atom (B, C, N, P, As, O, or F) substitutional doping at S site on the structural, electronic, and magnetic properties of single‐layer CrS2 with H phase. The lower formation energy under Cr‐rich condition shows that these doped systems are easy to be realized in experiment. The single‐layer CrS2 is nonmagnetic semiconductor with a direct band gap of 0.93 eV. The numerical results suggest that the nonmetal atoms can effectively modulate the electronic and magnetic properties of single‐layer CrS2. C‐ or O‐doped system is still nonmagnetic semiconductor but the band gap is changed slightly. B‐, N‐, P‐, As‐, or F‐doped system is magnetic compound with total magnetic moments of 1 µB due to the introduced one extra hole or electron. It is worth mentioning that the P‐doped system is half‐metal and As‐doped system is a spin‐gapless semiconductor. Nonmetal atom doping at anion site is indeed an effective method to tune the electronic and magnetic properties of single‐layer CrS2, which have promising applications in spintronics and nanoelectronics. [ABSTRACT FROM AUTHOR]

To evaluate whether hCG/hMG therapy has beneficial effects on idiopathic oligozoospermia in Chinese infertility population. The patients were randomly divided into the treatment group receiving hCG/hMG for 3 months and the placebo group receiving placebo for 3 months. Semen and biochemical analysis was performed, and DNA fragmentation as well as spermatid concentration was evaluated. Administration of hCG/hMG for 3 months could significantly improve sperm concentration, rate of forward motile spermatozoa, total motile sperm count, the percentage of sperm with normal morphology and the rate of spontaneous pregnancy in medium‐ and higher‐level inhibin B group respectively. Moreover, in medium‐ and higher‐level inhibin B group, sperm DNA fragmentation index and spermatid concentration were significantly declined respectively at the end of treatment. However, there were no significant differences in lower‐level inhibin B group before and after treatment in term of seminal parameters, DNA fragmentation and spermatid concentration. HCG/hMG therapy for 3 months has a beneficial effect on a part of male with idiopathic oligozoospermia, and the efficacy of hCG/hMG therapy is associated with the inhibin B level. [ABSTRACT FROM AUTHOR]

The effects of Pb doping on the structural, electronic, magnetic, and mechanical properties of the TiZrCoTl1−xPbx (x = 0.00, 0.25, 0.50, 0.75, 1.00) alloys have been investigated by first‐principles calculations based on density functional theory. The results show that the lattice constant, the absolute value of the formation energy, cohesive energy, and Curie temperature increase with increasing Pb concentration. The TiZrCoTl1−xPbx (x = 0.00, 0.25, 0.50, 0.75, 1.00) alloys are all half‐metallic ferromagnets, and their total magnetic moments µt satisfy the Slater–Pauling rule µt = Zt−18, where Zt is the total number of valence electrons. In the spin‐down channel, the Fermi level shifts upwards and band gap increases with increasing Pb concentration. The TiZrCoTl1−xPbx (x = 0.00, 0.25, 0.50, 0.75, 1.00) alloys are all anisotropic ductile and mechanical stable materials. The lattice constant, formation energy, cohesive energy, Curie temperature, and band gap in the spin‐down channel of TiZrCoTl1−xPbx alloys increase with increasing Pb concentration x. Additionally, all alloys are half‐metallic ferromagnets, and their total magnetic moments (µt) satisfy the Slater–Pauling rule µt = Zt−18, where Zt is the total number of valence electrons. [ABSTRACT FROM AUTHOR]

In the title complex, [Cu(C(15)H(11)BrN(2)O(3))(C(5)H(5)N)], the central Cu(II) atom is in a square-planar CuN(2)O(2) coordination environment formed by the tridentate hydrazone and the monodentate pyridine ligands with N atoms in a trans-arrangement about the Cu(II) atom.

The asymmetric unit of the title compound, C(18)H(20)N(2)O(4), contains one half-mol-ecule. The mol-ecule lies on an inversion centre and is roughly planar, the chains between the two pyridine rings being only slightly twisted, with torsion angles ranging from 170.9 (1) to 177.2 (1)°. Weak C-H⋯O hydrogen bonds result in the formation of a three-dimensional network.