First principles study on the structural, electronic and optical properties of diluted magnetic semiconductors Zn1-xCoxX （X=S, Se, Te）

The electronic and optical properties of zincblende ZnX（X=S, Se, Te） and ZnX：Co are studied from density functional theory （DFT） based first principles calculations. The local crystal structure changes around the Co atoms in the lattice are studied after Co atoms are doped. It is shown that the Co-doped materials have smaller lattice constant （about 0.6%-0.9%）. This is mainly due to the shortened Co-X bond length. The （partial） density of states （DOS） is calculated and differences between the pure and doped materials are studied. Results show that for the Co-doped materials, the valence bands are moving upward due to the existence of Co 3d electron states while the conductance bands are moving downward due to the reduced lattice constants. This results in the narrowed band gap of the doped materials. The complex dielectric indices and the absorption coefficients are calculated to examine the influences of the Co atoms on the optical properties. Results show that for the Co-doped materials, the absorption peaks in the high wavelength region are not as sharp and distinct as the undoped materials, and the absorption ranges are extended to even higher wavelength region.     

On an EOQ model for deteriorating items with time-varying demand and partial backlogging

For seasonal products, fashionable commodities and high-tech products with a short product life cycle, the willingness of a customer to wait for backlogging during a shortage period is diminishing with the length of waiting time. Recently, Chang and Dye developed an inventory model in which the backlogging rate declines as the waiting time increases. In this paper, we complement the shortcoming of their model by adding the non-constant purchase cost into the model. In addition, we show that the total cost is a convex function of the number of replenishments. We further simplify the search process by providing an intuitively good starting value, which reduces the computational complexity significantly. Finally, we characterize the influences of the demand patterns over the replenishment cycles and others.     

Nonlinear Analysis of Relativistic Motion of Electrons in Self-Amplified Spontaneous Emission Free-Electron Laser in Ultraviolet and X-Ray Spectral Regions

The free-electron laser (FEL) based on the self-amplified spontaneous emission (SASE) is an effective candidate of the coherent optical sources at wavelengths in ultraviolet and x-rays. It requires a relativistic electron beam with extremely high quality and extremely stable transmission. In this paper we analyze the dynamic behavior of the relativistic electron in that device by calculating the entropy-like quantity. Results show that if there is no adiabatic field of the wiggler, the electron beam may have great fluctuation in velocity space and diverge in configuration space.     

炸药爆轰温度的瞬时多光谱测量

从多光谱测温的基本原理出发,对瞬时多光谱爆温测量装置的工作原理、系统结构、爆温计算以及测量过程中可能引入的误差和进一步提高测量精度的方法进行了阐述和分析.利用该装置对液体炸药硝基甲烷的爆温进行了实际测量,取得了满意的测量结果,其爆温为3672 K,扩展不确定度为100 K(k＝2),该温度下的光谱发射率为0.69.     

奇数阶超级幻方

在 [2 ]中已定义了超级幻方 ,本文将证明只要 n是个奇数 (n>1) ,n2 阶的超级幻方就存在。     

Differentiation of human kidney stones induced by melamine and uric acid using surface desorption atmospheric pressure chemical ionization mass spectrometry

Clinically obtained human kidney stones of different pathogenesis were dissolved in acetic acid/methanol solutions and then rapidly analyzed by surface desorption atmospheric pressure chemical ionization mass spectrometry (SDAPCI-MS) without any desalination treatment. The mass spectral fingerprints of six groups of kidney stone samples were rapidly recorded in the mass range of m/z 50-400. A set of ten melamine-induced kidney stone samples and nine uric acid derived kidney stone samples were successfully differentiated from other groups by principal component analysis of SDAPCI-MS fingerprints upon positive-ion detection mode. In contrast, the mass spectra recorded using negative-ion detection mode did not give enough information to differentiate those stone samples. The results showed that in addition to the melamine, the chemical compounds enwrapped in the melamine-induced kidney stone samples differed from other kidney stone samples, providing useful hints for studying on the formation mechanisms of melamine-induced kidney stones. This study also provides useful information on establishing a MS-based platform for rapid analysis of the melamine-induced human kidney stones at molecular levels.     

Trace detection of hormones and sulfonamides in viscous cosmetic products by neutral desorption extractive electrospray ionization tandem mass spectrometry

A sensitive method based on a geometry-independent neutral desorption (GIND) in combination with extractive electrospray ionization mass spectrometry (EESI-MS) has been developed for fast detection of illicit additives such as sulfonamides and hormones in highly viscous cosmetic products. The method gave a low limit of detection (LOD) (in the range of 0.001-1 ng/g), acceptable relative standard deviation (RSD=6.8-11.4%) and reasonable recovery (87-116%) for direct measuring of nine types of hormones and sulfonamides in the cosmetic products. The average measurement time for two types of samples was less than 1 min. Trace amounts of analytes in commercial cosmetic products have been quantitatively detected, without any sample pretreatment. The experimental results showed that non-volatile illicit additives such as sulfonamides and hormones could be sensitively liberated using the GIND device for quantitative detection from the highly viscous cosmetic products, demonstrating that GIND-EESI-MS is a promising tool for high throughput, sensitive and quantitative analysis of highly complex viscous samples.     

Highly-photoluminescent ZnSe nanocrystals via a non-injection-based approach with precursor reactivity elevated by a secondary phosphine

Highly-photoluminescent ZnSe quantum dots with 72% quantum yield and 22 nm full width at half maximum were synthesized with more reactive precursors via a non-injection approach with high synthetic reproducibility; (31)P NMR provided insight into the formation mechanisms of ZnSe monomers.     

Preconcentration and detection of the phosphorylated forms of cardiac troponin I in a cascade microchip by cationic isotachophoresis

This paper describes the detection of a cardiac biomarker, cardiac troponin I (cTnI), spiked into depleted human serum using cationic isotachophoresis (ITP) in a 3.9 cm long poly(methyl methacrylate) (PMMA) microfluidic channel. The microfluidic chip incorporates a 100× cross-sectional area reduction, including a 10× depth reduction and a 10× width reduction, to increase sensitivity during ITP. The cross-sectional area reductions in combination with ITP allowed visualization of lower concentrations of fluorescently labeled cTnI. ITP was performed in both "peak mode" and "plateau mode" and the final concentrations obtained were linear with initial cTnI concentration. We were able to detect and quantify cTnI at initial concentrations as low as 46 ng mL(-1) in the presence of human serum proteins and obtain cTnI concentrations factors as high as ~ 9000. In addition, preliminary ITP experiments including both labeled cTnI and labeled protein kinase A (PKA) phosphorylated cTnI were performed to visualize ITP migration of different phosphorylated forms of cTnI. The different phosphorylated states of cTnI formed distinct ITP zones between the leading and terminating electrolytes. To our knowledge, this is the first attempt at using ITP in a cascade microchip to quantify cTnI in human serum and detect different phosphorylated forms.     

In situ analysis of agrochemical residues on fruit using ambient ionization on a handheld mass spectrometer

We describe a rapid in situ method for detecting agrochemicals on the surface or in the tissue of fruit using a portable mass spectrometer equipped with an ambient ionization source. Two such ionization methods, low temperature plasma (LTP) and paper spray (PS), were employed in experiments performed at a local grocery store. LTP was used to detect diphenylamine (DPA) directly from the skin of apples in the store and those treated after harvest with DPA were recognized by MS and MS/MS. These data therefore allowed ready distinction between organic and non-organic apples. DPA was also found within the internal tissue of purchased apples and its distribution was mapped using LTP. Similarly, thiabendazole residues were detected on the skin of treated oranges in a grocery store experiment in which paper spray was performed by wiping the orange surface with a moist commercial lens wipe and then applying a high voltage to ionize the chemicals directly from the wipe. The handheld mass spectrometer used in these measurements is capable of performing several stages of tandem mass spectrometry (up to MS(5)); the compounds on the fruit were identified by their MS/MS fragmentation patterns. Protonated DPA (m/z 170) produced a characteristic MS(2) fragment ion at m/z 92, while thiabendazole was identified by MS(3) using precursor to fragment ion transitions m/z 202 →m/z 175 →m/z 131. These particular examples exemplify the power of in situ analysis of complex samples using ambient ionization and handheld mass spectrometers.