Antimicrobial,anticancer and DNA binding studies of transition metal(II) complexes containing 2-phenyl-4-selenazole carboxylic acid

Science China Chemistry - Three novel transition metal complexes [ML2(phen)]·H2O (M= Mn, Co, Zn; HL= C10H7O2NSe, 2-phenyl-4-selenazole carboxylic acid, phen= 1,10-phenanthroline) 1～3...     

Application of wavelet transform in-ray spectra analysis

The frequency distribution of different ingredients in-ray spectra,e.g.,photo-peak,fluctuations of counts and Compton region,is separately analyzed.After wavelet transform of-ray spectra,the wavelet coefficients of a photo-peak increase with transforming scales and these coefficients show direct proportion with intensity of peak at determinate scale.A novel algorithm based on wavelet transform is proposed and studied.The results indicate that most of the photo-peaks in multi-spectra can be determined accurately,the-rays energy and intensity of the peak can also be determined.This method has the prospect of being applied in on-line multi-spectra analysis in such fields as radioprotection and nuclear safety monitoring.     

Metals in water and surface sediments from Henan reaches of the Yellow River, China

The concentrations of Cd, Cr, Cu, Ni, Pb and Zn were determined in the water and surface sediments from the Henan reaches of the Yellow River. Twenty-three sampling sites along the Yellow River and its tributaries were selected. Generally, metal concentrations were found to decrease in sequences of Zn > Cu > Pb > Cr > Ni > Cd in water and Zn > Cr > Pb > Ni > Cu > Cd in sediments. High levels of metal concentration were determined at a few stations of the river and its tributaries, such as Yiluo River, Si River and Qin River. The pollution of the Yellow River by Cd, Cr, Cu, Ni, Pb and Zn can be regarded as much higher compared to the background values, US EPA criteria (1999) and China water quality criteria (2002). For sediments, metal levels except Pb did not significantly exceed the average shale levels and backgrounds in several countries including China. Data analysis manifests that positive correlations were found between Cu, Ni and Zn in water, and Pb, Ni, Zn and Cr in sediments. The Pearson correlation coefficient analysis and Cluster analysis were provided to assess the possible contamination sources. The results indicate a general appearance of serious pollution along the banks of the Yellow River. The wastewaters discharged by the mine plants, smelter plants, power plants, battery plants, tannery plants, etc., and sewage inputs from the cities along the river banks may be the sources of metals.     

Tensor force effect on proton shell structure in neutron-rich Ca isotopes

In the framework of the Skyrme-Hartree-Fock approach with 36 sets of the TI J parameterizations,the tensor force effect on the evolution of the single-proton states in the calcium isotopes is systematically investigated.It is shown that the single-proton states with higher angular momenta are influenced significantly by the tensor force and the trend in the evolution of somesingle-particle energy differences with the mass number of the isotopes depends sensitively on a parameter βT associated with the intensity of the tensor force.To understand this phenomenon,we analyze the spin-orbit potentials and the radial wave functions of relevant single-proton orbits in detail.In addition,it is found that some TI J interactions could cause the 2s1/21d3/2 energy level inversion in 48Ca.     

Semi-parametric estimation for the Box-Cox transformation model with partially linear structure

The Box-Cox transformation model has been widely used in applied econometrics, positive accounting, positive finance and statistics. There is a large literature on Box-Cox transformation model with linear structure. However, there is seldom seen on the discussion for such a model with partially linear structure. Considering the importance of the partially linear model, in this paper, a relatively simple semi-parametric estimation procedure is proposed for the Box-Cox transformation model without presuming the linear functional form and without specifying any parametric form of the disturbance, which largely reduces the risk of model misspecification. We show that the proposed estimator is consistent and asymptotically normally distributed. Its covariance matrix is also in a closed form, which can be easily estimated. Finally, a simulation study is conducted to see the finite sample performance of our estimator.     

Synthesis and Crystal Structure of the Derivative of β-elemene C_(20)H_(33)N·Cl_3CCOOH

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Detect early stage lung cancer by a LAMP microfluidic chip system with a real-time fluorescent filter processor

This work presents a promising clinical molecular diagnostics for early stage lung cancer. This novel diagnostic method utilized the loop-mediated isothermal amplification (LAMP), microfluidic chips and a confocal optical detector with a non-linear fluorescent filter processor. An isothermal amplification based microfluidic chip for the early diagnostics of lung cancer was developed and a confocal optical detector was improved by a novel real-time fluorescent filter to sensitively monitor the DNA amplification procedure with high signal to noise ratio and fluorescence collecting ability. Experiment showed that a rapid diagnostic of lung cancer by detecting the existence of the CEA mRNA could be performed in only 5 μL of reaction assay in less than 45 min. While the traditional in-tube RT-PCR set consumed more than 25 μL of the assay and took more than 90 min.     

气相中Cu+和Zn+与CS2反应的计算研究

以Cu⁺和Zn⁺与CS₂反应作为第一过渡金属离子与CS₂反应的范例体系. 采用密度泛函UB3LYP/6-311+G^*方法计算研究了第一过渡金属离子在基态和激发态与CS₂反应的反应机理. 全参数优化了反应势能面上各驻点的几何构型, 用频率分析方法和内禀反应坐标(IRC)方法对过渡态进行了验证. 并用UCCSD(T)/6-311G^*方法对各驻点作了单点能量校正. 在Cu⁺与CS₂反应中, 计算了单重态初始中间体¹IM1到三重态插入型中间体³IM2的反应交叉势能面. 确定了第一过渡金属离子与CS₂的反应为插入-消去反应, 找到了基态和激发态金属离子与CS₂反应的主要通道.     

Metals in water and surface sediments from Henan reaches of the Yellow River,China

The concentrations of Cd,Cr,Cu,Ni,Pb and Zn were determined in the water and surface sediments from the Henan reaches of the Yellow River.Twenty-three sampling sites along the Yellow River and its tributaries were selected.Generally,metal concentrations were found to decrease in sequences of Zn>Cu>Pb>Cr>Ni>Cd in water and Zn>Cr>Pb>Ni>Cu>Cd in sediments.High levels of metal concentration were determined at a few stations of the river and its tributaries,such as Yiluo River,Si River and Qin River.The pollutio...     

Tensor force effect on single-proton energy levels of oxygen isotopes

In the framework of the Hartree-Fock approach the proton spin-orbital splittings of the 1p orbits and the shell gaps in the oxygen isotopes are investigated with the interactions SLy5+T,SLy5+Tw,SGII+Te1,SGII+Te2,SGII+Te3 and many sets of the TIJ interactions.All of the interactions are the Skyrme interactions and contain a tensor component(tensor force).It is shown that the evolution of the single-proton levels for the oxygen isotopes is sensitive to a parameterβTwhich is associated with the tensor force strength of the Skyrme interactions.To understand this phenomenon,we systematically analyze the dependence of the spin-orbit splittings and shell gaps on the parameterβTin terms of the spin-orbit potential and the corresponding wave function.We find that the Skyrme interactions can be classified into two groups:(a)T21,T32,T43,T54,SLy5+T,SLy5+Tw,SGII+Te1 and SGII+Te2,which can roughly reproduce the experimental shell gaps of the oxygen isotopes;(b)T1J and SGII+Te3,which can not reproduce the experimental shell gaps.