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IntroductionAlzheimer’s disease (AD) is a progressive neurodegenerative disease that results in cognitive impairment and is often accompanied by anxiety. In this study, we investigated whether the activation of VTAVgat neurons could reduce anxiety in APP/PS1 mice. We hypothesized that acute social defeat stress (SDS) would lead to anxiety in APP/PS1 mice, and that the activation of VTAVgat neurons would alleviate this anxiety.MethodsWe exposed APP/PS1 mice to acute SDS and assessed anxiety using the open field test and elevated plus-arm test. Activated VTAVgat neurons was tested by cfos staining. Sleep quality was detected using electroencephalogram after SDS or non-SDS procedure. Sleep duration, sleep latency, and non-rapid eye movement (NREM) percentage were analyzed. VTAVgat neurons were chemogenetically activated by deschloroclozapine.ResultsOur results showed that acute SDS led to anxiety in APP/PS1 mice, as evidenced by increased anxiety-related behaviors in the open field and elevated plus-arm tests. Activation of VTAVgat neurons by SDS led to an increase in sleep duration, primarily due to a decrease in sleep latency and an increase in NREMs. However, the quality of sleep was poor. Chemogenetical activation of VTAVgat neurons improved sleep quality and relieved SDS-induced anxiety. Furthermore, the anxiety state correlated negatively with sleep duration and NREM percentage and correlated positively with theta power density in APP/PS1 mice.DiscussionOur study provides evidence that the activation of VTAVgat neurons alleviates SDS-induced anxiety in APP/PS1 mice, suggesting that poor sleep quality may exacerbate anxiety in AD. These findings may have important implications for the treatment of anxiety in AD, as targeting VTAVgat neurons could be a potential therapeutic approach.

Dissolved organic nitrogen (DON) can act as precursor of nitrogenous disinfection by-products formed during chlorination disinfection. The performances of biological fluidized bed (continuous stirred tank reactor, CSTR) and bio-ceramic filters (plug flow reactor, PFR) were compared in this study to investigate the influence of mixing regime on DON formation in drinking water treatment. In the shared influent, DON ranged from 0.71mgL(-1) to 1.20mgL(-1). The two biological fluidized bed reactors, named BFB1 (mechanical stirring) and BFB2 (air agitation), contained 0.12 and 0.19mgL(-1) DON in their effluents, respectively. Meanwhile, the bio-ceramic reactors, labeled as BCF1 (no aeration) and BCF2 (with aeration), had 1.02 and 0.81mgL(-1) DON in their effluents, respectively. Comparative results showed that the CSTR mixing regime significantly reduced DON formation. This particular reduction was further investigated in this study. The viable/total microbial biomass was determined with propidium monoazide quantitative polymerase chain reaction (PMA-qPCR) and qPCR, respectively. The results of the investigation demonstrated that the microbes in BFB2 had higher viability than those in BCF2. The viable bacteria decreased more sharply than the total bacteria along the media depth in BCF2, and DON in BCF2 accumulated in the deeper media. These phenomena suggested that mixing regime determined DON formation by influencing the distribution of viable, total biomass, and ratio of viable biomass to total biomass.

LiMn x Fe1−x PO4-C cathode materials for lithium ion batteries were synthesized via solid-state method using Li2CO3, MnCO3, NH4H2PO4, FePO4 and sucrose as starting raw materials, followed by high-temperature reduction-annealing. A series of calcination experiments at different temperatures reveal that Mn2+-containing materials exhibit a lower temperature for olivine phase formation, for example LiMn0.5Fe0.5PO4 olivine phase forms at 275 °C, while manganese-free crystalline LiFePO4 generally forms at the required temperature of 350 °C. Increasing Mn2+ content is found to enhance crystallization degree of LiMn x Fe1−x PO4 material prepared at lower calcination temperatures. X-ray photoelectron spectroscopy (XPS) results confirm that Mn valence state (+2) remains unchanged up to ~250 °C when calcined in ambient atmosphere. The above-mentioned beneficial effect of manganese on phase formation and crystallization of olivine can be well attributed to the stable nature of Mn2+ and its strong propensity to form olivine phases.

By means of the mean-field dynamic density functional theory (DDFT), the self-assembly behavior of the sphere-forming diblock copolymers confined in the square well has been studied systematically. Various novel structures are predicted, such as a string of spheres, stacked square bricks, a row of elongated potato-like micelles rotated with respect to each other, a single helix, two staggered helices, well-ordered square array of cylinders, highly ordered body-center-cubic (BCC) spheres, highly ordered face-center-cubic (FCC) spheres and concentric layers. Those morphologies provide the theoretical evidence for the experimental observations. Moreover, some interesting phenomena are found, such as the decrease of the number of layers with the increase of the surface field and the formation of the soft spheres, which can be observed in the experiments. Furthermore, a new order parameter is defined to characterize the degree of micro-phase separation for each kind of microscopic structure, and the key factor in affecting micro-phase separation is discussed.

Using first-principles calculations based on density functional theory, we investigated systematically the electronic structures and magnetic properties of Ti-doped ZnO. The results indicate that Ti doped ZnO prefers the ferromagnetic ground state and shows a metallic behavior. We found that Ti-doped ZnO is a weak ferromagnet and FM exchange interaction is short-ranged. In addition, it has been found that Ti atoms have a tendency of cluster together around O atoms.

The geometrical structure of Y3Al5O12 (YAG) crystal was optimized by using first-principles calculation scheme, i.e. generalized gradient approximation (GGA) with the PW91 exchange correlation potential and “on the fly” pseudo-potential (OTFPP). The obtained lattice parameters are in good accordance with experimental results reported in the literature. This confirms the validity of the present GGA-OTFPP scheme. The total energy, populations, and contour maps of total charge density of YAG system were calculated with the same scheme. The derived formation energy (-2.396eV) indicate the good stability of the structure. The obtained Mulliken charge populations of atoms, overlap populations, as well as contour maps of total charge density congruously show that YAG crystal is a mixed bond material with stronger ion bond and weaker covalence bond.

The equilibrium structures of orthorhombic LaCrO3(O-LaCrO3) and rhombohedral LaCrO3(R-LaCrO3) crystals were investigated by using the plane-wave self consistent field (PWSCF) method based on density functional theory (DFT). The optimized lattice parameters for both phases are in accordance with experimental results reported in literature, confirming the reliability of LSDA+U scheme used in the calculations. We have quantificationally investigated the binding energies and electronic properties of these two types of LaCrO3crystals. The negative total energy and binding energies indicate the ground state property and the good structrual stability of O-LaCrO3crystal, which is important for the preparation of nano materials, the synthesis of ceramic materials made of doped O-LaCrO3crytals, as well as their applications in high technology fields, and predict the metastable property of R-LaCrO3crystal. Furthermore, the band structures show that O-LaCrO3is a direct semiconductor with wide energy gap, while R-LaCrO3is an indirect semiconductor with narrow energy gap. The interaction between Cr and O atoms in O-LaCrO3crystal possesses the character of covalent bonding.

The structures and electronic properties of (LaxAl1-x)2O3 are studied by first-principles calculation method. The results show that the composite material (LaxAl1-x)2O3 tend to be in sixfold-coordinated structure when x0.7. (LaxAl1-x)2O3 is in disorder structure and get the minimum band gap when x equals about 0.7. It suggest that (LaxAl1-x)2O3 can be synthesized as high dielectric constant material by doping La2O3 with a lower Al dopant concentrations or by fabricating (LaxAl1-x)2O3 with rich Al content.

The stability and electronic structures of Al or/and P doped single-walled SiC nanotubes (SWSiCNTs) are investigated by the first-principles theory. It is found that the ones with P atom located at Si site are most energetically favorable both for armchair and zigzag SWSiCNTs, which means that P atom is prone to substitute Si atom. In the same time, we found that the formation energy of Al substituting Si atom is lower than that of Al substituting C atom. The energetic disadvantages of P or Al atom located at C site in SWSiCNTs may be due to the obviously structural distortion in view of that the Al and P atoms are much bigger than C atom. The SWSiCNTs can be routinely modified ranging fromp-type semiconductor ton-type by Al and P substitution doping. These results are expected to give valuable information in building nanoscale electronic devices.

The self-assembly of sphere-forming triblock copolymers confined between two thin homogeneous surfaces is investigated based on mean-field dynamic density functional theory. The morphologies deviating from the bulk sphere-forming phase are revealed, including cylinders oriented perpendicular to the surface, cylinders oriented parallel to the surface, perforated lamellae and lamellae by varying film thickness and surface field strength. The phase diagram of surface reconstruction is also constructed. By comparing the present phase diagram with the other relevant phase diagram for the cylinder-forming triblock copolymer film, the difference between the sphere-forming and the cylinder-forming triblock copolymer thin film is discussed.

The geometry optimization, formation energy, Mulliken populations, and density of states of YAP (YAlO3) crystal are studied by using first-principles method based on density functional theory. The optimal lattice parameters of YAP crystal are in good accordance with experimental results reported. The calculated formation energy (-3.73eV) indicates the excellent structural stability of YAP crystal. The obtained Mulliken charge populations of O, Al and Y atoms and their deviations from the formal ones, as well as overlap populations show YAP crystal is a mixed bond material with stronger ionic and weaker covalent bonds, which is attributed to the hybridization of atomic orbitals. The comprehensive effect of various interactions in the system makes YAP crystal more stable.

In the development of software project, requirements stability is an important factor which relates to success or failure of software project. This paper made a detailed analysis of the factors of affecting the requirements stability, proposed the control method of the requirements change, and has conducted the research on the measure of the requirements stability for achieving the purpose to grasp the degree of the requirements change effectively, minimize the defects and risks caused by it, and ensure the successful completion of software project according to a predetermined cost, schedule, and quality.

We investigated the colossal dielectric constant behavior and interesting dielectric relaxation over broad temperature and frequency ranges in complex perovskite Sr0.9Ba0.1Ti0.9Ru0.1O3 ceramics by using HP4294 impedance analyzer. Through the discussion, there exists a clear link between the dielectric relaxation and the sample conductivity. It’s believed that hopping of electrons between color centers not only produce conductivity but also give rise to dielectric relaxation behavior.

Research information is an important work in research management of college, and involves abundant information in content and range. This article describes the overall design framework, design ideas as well as function modules of a Research Management Information System. The system not only greatly reduce the workload and improve efficiency of research management, but also would provide a large number of detailed historical data in management decisions.

Relativistic density functional theory calculations have been conducted to examine the effect of atomic under-coordination on the crystal structure, binding energy, and electron configuration of cuboctahedral and Marks decahedral gold clusters. Trend consistency between calculations and experimental observations confirmed the predictions made using BOLS correlation theory, suggesting that the shorter-and-stronger bonds between under-coordinated atoms induce local structure relaxation, potential well depression, and the associated local charge and energy densification, as well as the polarization of the otherwise conducting s-electrons (valence charge) by the densely- and tightly-trapped core electrons of which the binding energy shifts positively to deeper energies. Findings are in good agreement with scanning tunneling microscopy/spectroscopy results from monomers, dimers, chain ends, and nanostructures of gold and other metals.

Objective To evaluate the long-term efficacy and safety of pamidronate disodium in patients with bone lesions secondary to advanced breast carcinoma.

In this paper, we study the morphology of diblock copolymers with the body-centered-cubic (bcc) phase confined between two flat surfaces. Employing the Landau-Brazovskii mean field theory and the single mode approximation, we obtain three amplitude parameters as functions of temperature, surface field strength, and film thickness. Because of the effect of confinement size and the surface inducement, the morphology of confined diblock copolymers is different from the bulk structure. By controlling confinement size and surface field strength, lamella, undulated lamella, cylinder, and distorted cylinder can be observed in the bcc bulk phase of diblock copolymers. Also, we construct a "phase diagram" of confinement-induced structures at different surface field strengths. We compare the present theoretical results with the other relevant theoretical results. The predictions about these interesting confinement-induced structures should be observable in the experiments under suitable conditions.

Objective: To explore the expression of Th1/Th2 cytokines gene in human gliomas and its role in the genesis and development of human gliomas.Methods: Using IL-2 and IFNγ as Th1 type cytokines, IL-4, IL-6 and IL-10 as Th2 type cytokines, the biological activity of cytokines in the supernatant of glioma cell lines was assayed by ELISA method, and the gene expression of Th1/Th2 cytokines in human glioma cells, glioma infiltrating lymphocytes and glioma cell lines were detected by RT-PCR.Results: There was predominant expression of Th2 type cytokines in human glioma cells, glioma infiltrating lymphocytes and glioma cell lines, but there was no such expression in normal brain tissues.Conclusion: It suggested that there is a relationship between the Th2 type cytokines expression in human gliomas and the immunosupressive status of human glioma patients. The predominant expression of Th2 type cytokines may play an important role in the genesis and development of human gliomas.

First-principles calculations based on the density functional theory (DFT) and ultra-soft pseudopotential are employed to study the atomic configuration and charge density of impurity P in NiAl Σ5 grain boundary (GB). The negative segregation energy of a P atom proves that a P atom can easily segregate in the NiAl GB. The atomic configuration and formation energy of the P atom in the NiAl GB demonstrate that the P atom tends to occupy an interstitial site or substitute a Al atom depending on the Ni/Al atoms ratio. The P atom is preferable to staying in the Ni-rich environment in the NiAl GB forming P–Ni bonds. Both of the charge density and the deformation charge imply that a P atom is more likely to bond with Ni atoms rather than with Al atoms. The density of states further exhibits the interactions between P atom and Ni atom, and the orbital electrons of P, Ni and Al atoms all contribute to P–Ni bonds in the NiAl GB. It is worth noting that the P–Ni covalent bonds might embrittle the NiAl GB and weakens the plasticity of the NiAl intermetallics.

In this article a prediction-calculation method is proposed for the study about the structures and properties of solid solution materials. First, the ordered or disordered structures of solid solution system are predicted by using concentration wave theory. Then, the calculation studies on geometrical structures and physical properties of the predicted system are completed with first-principles method based on density functional theory. This prediction-calculation method is applied to the two dimensional ionic conductivity systems MxTiS2 (M = Li, Ag; x = 0, 1/4, 1/3, 1/2, 2/3, 3/4, 1). The results show that the lattice parameters a0 and c0 for LixTiS2 (or AgxTiS2) systems increase monotonically with the increase of concentration of Li (or Ag) ion, which are in good agreement with the reported experiment results. The total energies of ordered LixTiS2 and AgxTiS2 systems decrease linearly with the increase of ion concentration and the former decreases more rapidly. The formation energies of ordered LixTiS2 ...

Molecular dynamics simulations are applied to investigate the cylindrical polyelectrolyte brushes in monovalent and multivalent salt solutions. By varying the salt valence and concentration, the brush thickness, shape factor of grafted chains, and distributions of monomers and ions in the solutions are studied. The simulation results show that the single osmotic pressure effect in the brush leads to changes in conformation in the presence of monovalent salt, while the ion exchange effect induces the collapse of the brushes in the multivalent salt solutions. Furthermore, the snapshots combined with the distributions of the end-monomers and the mean bond angles demonstrate a nonuniform stretching picture of the grafted chains, which is different with the chains tethered on the planar surface. The charge ratios between the ions trapped in the brush and the monomers are also calculated to elucidate the details of ion exchange process.

The effects of cephradinum and ceftazidime on the metabolism of Escherichia coli (E. coli) DH5alpha was determined by microcalorimetry. The microbial activity was recorded as power-time curves through an ampoule method with a TAM Air Isothermal Microcalorimeter at 37 degrees C. The parameters such as the growth rate constant (k), inhibitory ratio (I), the maximum power output (Pm) and the time (tm) corresponding to the maximum power output were calculated. The results show that the ceftazidime has a better inhibitory effect on E. coli DH5alpha than cephradinum.

Relativistic density functional theory calculations have been conducted to examine the effect of atomic under-coordination. The calculated results agree exceedingly well with experimental observations: skin-depth bond contraction, chain end stats polarization, potential well depression, core level shift, and the valence charge polarization of gold nanostructures. Consistency between calculations and experimental observations affirms the prediction of the bond-order-length-strength (BOLS) correlation theory [Sun CQ, Phys Rev B 69, 045105 (2004)], asserting that the under-coordinated surface atoms are indeed associated with local strain, quantum trap depression, charge densification and valence charge polarization and that the locally polarized and pinned electrons are responsible for the metal-insulator transition and magnetism present of gold nanoparticles.

To explore the cause and pathogenesis of migraine based on TCM theory and modern researches to seek for new thinking and effective drugs in treating migraine.Ninety patients with migraine were divided into three groups, the treated group treated with Shutianing Granule (STNG) 9 g, three times a day, the control A group treated with composite Yangjiao capsule, 5 capsules each time, three times a day and the control B group treated with flunarizine hydrochloride capsule, 5 mg, once a day. The treatment lasted for 28 days to observe the degree, lasting time and frequency of pain attack, and the headache index was calculated. Transcranial Doppler examination, serum beta evoked potential (beta-EP) and neuropeptide (NPY) determination were also performed before and after treatment. In the experimental study, effect of treatment of cerebral NPY and beta-EP were tested in SD rats with chronic pain in the treated or the control groups.In the treated group, the markedly effective rate was 56.67% and the total effective rate was 90.00%, significant difference was shown in comparison with those in the control B group (P0.05), but with no difference in comparison with those in the control A group. Cerebral beta-EP level was raised and plasma NPY level was lowered in all the three treated groups. Compared with the normal saline group, there was significant difference (P0.05 or P0.01).STNG could improve the cerebrovascular function effectively, raise plasma beta-EP level, lower plasma NPY level and alleviate vascular tension in patients with migraine.

The equilibrium crystal structures, formation enthalpies, binding energies, and electronic properties of orthorhombic LaGaO3 (O-LaGaO3) and rhombohedral LaGaO3 (R-LaGaO3) were studied by using the first-principles method based on density functional theory. The optimal lattice parameters for both phases are in good accordance with available experimental results, which confirms the reliability of the selected calculation scheme. The deduced formation enthalpies of both phases are consistent with the experimental results reported by researchers. The negative formation enthalpies and binding energies, as well as the low DOS values at Fermi levels congruously indicate the stability of O-LaGaO3 and R-LaGaO3. The O-LaGaO3 possesses advantage in technical applications because of its better stability than R-LaGaO3. Furthermore, both O- and R-LaGaO3 are indirect semiconductors with wide energy gaps.

In the weak segregation limit, the structure evolution of the hexagonal cylindrical phase of diblock copolymers in films was investigated. Employing the Landau-Brazovskii mean field theory, we obtained three amplitude parameters as functions of temperature, surface field strength and film thickness. By controlling confinement size and surface field strength, lamellae and undulated lamellae appear in the cylindrical bulk phase of diblock copolymers. "Phase diagrams" of confinement-induced structures are constructed at different surface field strengths. The obtained theoretical results are in agreement with relevant theoretical and experimental results.