Band-gap bowing and p-type doping of (Zn, Mg, Be)O wide-gap semiconductor alloys: a first-principles study

Using a first-principles band-structure method and a special quasirandom structure (SQS) approach, we systematically calculate the band gap bowing parameters and \emph{p}-type doping properties of (Zn, Mg, Be)O related random ternary and quaternary alloys. We show that the bowing parameters for ZnBeO and MgBeO alloys are large and dependent on composition. This is due to the size difference and chemical mismatch between Be and Zn(Mg) atoms. We also demonstrate that adding a small amount of Be into MgO reduces the band gap indicating that the bowing parameter is larger than the band-gap difference. We select an ideal N atom with lower \emph{p} atomic energy level as dopant to perform \emph{p}-type doping of ZnBeO and ZnMgBeO alloys. For N doped in ZnBeO alloy, we show that the acceptor transition energies become shallower as the number of the nearest neighbor Be atoms increases. This is thought to be because of the reduction of \emph{p}-\emph{d} repulsion. The N$_{\rm{O}}$ acceptor transition energies are deep in the ZnMgBeO quaternary alloy lattice-matched to GaN substrate due to the lower valence band maximum. These decrease slightly as there are more nearest neighbor Mg atoms surrounding the N dopant. The important natural valence band alignment between ZnO, MgO, BeO, ZnBeO, and ZnMgBeO quaternary alloy is also investigated.Comment: 7 pages, 3 figure

Influence of uniaxial tensile stress on the mechanical and piezoelectric properties of short-period ferroelectric superlattice

Tetragonal ferroelectric/ferroelectric BaTiO3/PbTiO3 superlattice under uniaxial tensile stress along the c axis is investigated from first principles. We show that the calculated ideal tensile strength is 6.85 GPa and that the superlattice under the loading of uniaxial tensile stress becomes soft along the nonpolar axes. We also find that the appropriately applied uniaxial tensile stress can significantly enhance the piezoelectricity for the superlattice, with piezoelectric coefficient d33 increasing from the ground state value by a factor of about 8, reaching 678.42 pC/N. The underlying mechanism for the enhancement of piezoelectricity is discussed

Cationic Polybutyl Cyanoacrylate Nanoparticles for DNA Delivery

To enhance the intracellular delivery potential of plasmid DNA using nonviral vectors, we used polybutyl cyanoacrylate (PBCA) and chitosan to prepare PBCA nanoparticles (NPs) by emulsion polymerization and prepared NP/DNA complexes through the complex coacervation of nanoparticles with the DNA. The object of our work is to evaluate the characterization and transfection efficiency of PBCA-NPs. The NPs have a zeta potential of 25.53 mV at pH 7.4 and size about 200 nm. Electrophoretic analysis suggested that the NPs with positive charges could protect the DNA from nuclease degradation and cell viability assay showed that the NPs exhibit a low cytotoxicity to human hepatocellular carcinoma (HepG2) cells. Qualitative and quantitative analysis of transfection in HepG2 cells by the nanoparticles carrying plasmid DNA encoding for enhanced green fluorescent protein (EGFP-N1) was done by digital fluorescence imaging microscopy system and fluorescence-activated cell sorting (FACS). Qualitative results showed highly efficient expression of GFP that remained stable for up to 96 hours. Quantitative results from FACS showed that PBCA-NPs were significantly more effective in transfecting HepG2 cells after 72 hours postincubation. The results of this study suggested that PBCA-NPs have favorable properties for nonviral delivery

Tissue factor pathway inhibitor-2 was repressed by CpG hypermethylation through inhibition of KLF6 binding in highly invasive breast cancer cells

<p>Abstract</p> <p>Background</p> <p>Tissue factor pathway inhibitor-2 (TFPI-2) is a matrix-associated Kunitz inhibitor that inhibits plasmin and trypsin-mediated activation of zymogen matrix metalloproteinases involved in tumor progression, invasion and metastasis. Here, we have investigated the mechanism of DNA methylation on the repression of TFPI-2 in breast cancer cell lines.</p> <p>Results</p> <p>We found that both protein and mRNA of TFPI-2 could not be detected in highly invasive breast cancer cell line MDA-MB-435. To further investigate the mechanism of TFPI-2 repression in breast cancer cells, 1.5 Kb TFPI-2 promoter was cloned, and several genetic variations were detected, but the promoter luciferase activities were not affected by the point mutation in the promoter region and the phenomena was further supported by deleted mutation. Scan mutation and informatics analysis identified a potential KLF6 binding site in TFPI-2 promoter. It was revealed, by bisulfite modified sequence, that the CpG island in TFPI-2 promoter region was hypermethylated in MDA-MB-435. Finally, using EMSA and ChIP assay, we demonstrated that the CpG methylation in the binding site of KLF-6 diminished the binding of KLF6 to TFPI-2 promoter.</p> <p>Conclusion</p> <p>In this study, we found that the CpG islands in TFPI-2 promoter was hypermethylated in highly invasive breast cancer cell line, and DNA methylation in the entire promoter region caused TFPI-2 repression by inducing inactive chromatin structure and decreasing KLF6 binding to its DNA binding sequence.</p

Unfolding environmental γ\gamma flux spectrum with portable CZT detector

Environmental $\gamma$-rays constitute a crucial source of background in various nuclear, particle and quantum physics experiments. To evaluate the flux rate and the spectrum of $\gamma$ background, we have developed a novel and straightforward approach to reconstruct the environmental $\gamma$ flux spectrum by applying a portable CZT $\gamma$ detector and iterative Bayesian unfolding, which possesses excellent transferability for broader applications. In this paper, the calibration and GEANT4 Monte-Carlo modeling of the CZT detector, the unfolding procedure as well as the uncertainty estimation are demonstrated in detail. The reconstructed spectrum reveals an environmental $\gamma$ flux intensity of $3.3\pm 0.9\times 10^{7}$~ (m$^2\cdot$sr$\cdot$hour)$^{-1}$ ranging from 73 to 3033~keV, along with characteristic peaks primarily arising from $^{232}$Th series, $^{238}$U series and $^{40}$K. We also give an instance of background rate evaluation with the unfolded spectrum for validation of the approach

Magnetic field and torque output of packaged hydraulic torque motor

Hydraulic torque motors are one key component in electro-hydraulic servo valves that convert the electrical signal into mechanical motions. The systematic characteristics analysis of the hydraulic torque motor has not been found in the previous research, including the distribution of the electromagnetic field and torque output, and particularly the relationship between them. In addition, conventional studies of hydraulic torque motors generally assume an evenly distributed magnetic flux field and ignore the influence of special mechanical geometry in the air gaps, which may compromise the accuracy of analyzing the result and the high-precision motion control performance. Therefore, the objective of this study is to conduct a detailed analysis of the distribution of the magnetic field and torque output; the influence of limiting holes in the air gaps is considered to improve the accuracy of both numerical computation and analytical modeling. The structure and working principle of the torque motor are presented first. The magnetic field distribution in the air gaps and the magnetic saturation in the iron blocks are analyzed by using a numerical approach. Subsequently, the torque generation with respect to the current input and assembly errors is analyzed in detail. This shows that the influence of limiting holes on the magnetic field is consistent with that on torque generation. Following this, a novel modified equivalent magnetic circuit is proposed to formulate the torque output of the hydraulic torque motor analytically. The comparison among the modified equivalent magnetic circuit, the conventional modeling approach and the numerical computation is conducted, and it is found that the proposed method helps to improve the modeling accuracy by taking into account the effect of special geometry inside the air gaps

Ferroelectricity driven by magnetism in quasi-one-dimensional Ba9Fe3Se15

The spin-induced ferroelectricity in quasi-1D spin chain system is little known, which could be fundamentally different from those in three-dimensional (3D) system. Here, we report the ferroelectricity driven by a tilted screw spin order and its exotic dynamic in the spin-chain compound Ba9Fe3Se15. It is found that the spin-induced polarization has already occurred and exhibits magnetoelectric coupling behavior far above the long-range spin order (LRSO) at TN = 14 K. The polarized entities grow and their dynamic responses slow down gradually with decreasing temperature and permeate the whole lattice to form 3D ferroelectricity at TN. Our results reveal that the short-range spin orders (SRSOs) in the decoupled chains play a key role for the exotic dynamic in this dimension reduced system. Ba9Fe3Se15 is the only example so far which exhibits electric polarization above LRSO temperature because of the formation of SRSOs

Schizophrenia is not associated with the ERBB3 gene in a Han Chinese population sample: Results from case-control and family-based studies

ERBB3 (v-erb-b2 erythroblastic leukemia viral oncogene homolog 3), encoding a receptor of neuregulin-1 (NRG1), has been considered a functional candidate gene for schizophrenia susceptibility. In order to investigate a relationship between ERBB3 gene and schizophrenia in the Chinese population, case-control and family-based studies were carried out in 470 cases matched by controls, and in 532 family trios. Our results failed to show any evidence of significant association between the ERBB3 rs2292238 polymorphism and schizophrenia

First-Principles Study of Magnetic Properties of 3dTransition Metals Doped in ZnO Nanowires

The defect formation energies of transition metals (Cr, Fe, and Ni) doped in the pseudo-H passivated ZnO nanowires and bulk are systematically investigated using first-principles methods. The general chemical trends of the nanowires are similar to those of the bulk. We also show that the formation energy increases as the diameter of the nanowire decreases, indicating that the doping of magnetic ions in the ZnO nanowire becomes more difficult with decreasing diameter. We also systematically calculate the ferromagnetic properties of transition metals doped in the ZnO nanowire and bulk, and find that Cr ions of the nanowire favor ferromagnetic state, which is consistent with the experimental results. We also find that the ferromagnetic coupling state of Cr is more stable in the nanowire than in the bulk, which may lead to a higherTcuseful for the nano-materials design of spintronics