Δ3-1,2,4—噻二唑类化合物的量子化学及构效关系研究

Δ3-1,2,4—噻二唑类化合物具有抑制黄瓜霜霉病毒的杀菌活性。本文用半经验PM3方法对25个该类化合物进行了量子化学计算,并依据原子的净电荷、前沿轨道能级、轨道主要成分及原子在前沿轨道中所占比重等计算结果和多重回归分析讨论了该类化合物的活性部位,为该类化合物结构与活性的研究奠定了理论基础。     

Preparation of bao-pbo-nd2o3-tio2 powders by hydrothermal synthesis

Homogeneous and nano-sized BPNT [(Ba_1-xPb_x)Nd₂Ti₅O₁₄] powders were prepared under various hydrothermal conditions. Crystallinity and homogeneity of the synthetic powders were investigated. The microwave dielectric properties of the filters prepared with hydrothermal powders were compared with those of the filters prepared with conventional powders. The microwave dielectric properties of the filter prepared with the hydrothermal powders were also better than those of the filter manufactured with the conventional powders. The dielectric constant, quality constant and temperature coefficient of resonance frequency of hydrothermally prepared filter under optimum condition and measured at 3.5 GHz around were about 93, 6067 and 0 ppm/°C, respectively.     

A weighted H1 seminorm regularization method for Fredholm integral equations of the first kind

Many problems in mathematics and engineering lead to Fredholm integral equations of the first kind, e.g. signal and image processing. These kinds of equations are difficult to solve numerically since they are ill-posed. Therefore, regularization is required to obtain a reasonable approximate solution. This paper presents a new regularization method based on a weighted H¹ seminorm. Details of numerical implementation are given. Numerical examples, including one-dimensional and two-dimensional integral equations, are presented to illustrate the efficiency of the proposed approach. Numerical results show that the proposed regularization method can restore edges as well as details.     

Geoadditive expectile regression

Quantile regression has emerged as one of the standard tools for regression analysis that enables a proper assessment of the complete conditional distribution of responses even in the presence of heteroscedastic errors. Quantile regression estimates are obtained by minimising an asymmetrically weighted sum of absolute deviations from the regression line, a decision theoretic formulation of the estimation problem that avoids a full specification of the error term distribution. Recent advances in mean regression have concentrated on making the regression structure more flexible by including nonlinear effects of continuous covariates, random effects or spatial effects. These extensions often rely on penalised least squares or penalised likelihood estimation with quadratic penalties and may therefore be difficult to combine with the linear programming approaches often considered in quantile regression. As a consequence, geoadditive expectile regression based on minimising an asymmetrically weighted sum of squared residuals is introduced. Different estimation procedures are presented including least asymmetrically weighted squares, boosting and restricted expectile regression. The properties of these procedures are investigated in a simulation study and an analysis on rental fees in Munich is provided where the geoadditive specification allows for an analysis of nonlinear effects of the size of flats or the year of construction and the spatial distribution of rents simultaneously.     

Oxidation behaviors of Ni-Cr-Al superalloy foams at 1 000 ℃ in air

The oxidation behaviors of Ni-16Cr-xAl （x=4.5%, 9.0%, mass fraction） superalloy foams in air at 1000℃ were investigated. The effects of AI content on the resistance to high temperature oxidation were examined. The oxidation mechanisms of the foams were discussed. The results show that the resistance to the oxidation of the Ni-16Cr-xA1 based alloy at 1 000 ℃ increases with the content of A1 increasing from 4.5% to 9.0%. Complex oxide products are formed on the surface of the superalloy foams after the oxidation. Cr203 and A1203 are the predominant oxides for the scales of the foams with 4.5% A1 and 9% A1, respectively. Excellent high temperature oxidation resistance and superior pore conformation stability for the Ni-16Cr-xA1 based superalloy foam with 9% A1 can be mainly attributed to the formation of relatively continuous and protective A1203 oxides on the surface of the foam.     

基于Matlab的0-1背包问题的动态规划方法求解

背包问题是经典的NP-hard组合优化问题之一,在经济管理、资源分配、投资决策、装载设计等领域有着重要的应用价值。文中用动态规划方法解决0-1背包问题,通过在Matlab6.5环境下对其算法进行测试和与其他方法对比分析,表明应用该方法可节省大量的计算时间,因而具有更高运行效率。     

1-吡啶-3-[4-(苯基偶氮)苯基]-三氮烯与汞的显色反应及其应用

在Triton X-100存在下的pH 10的Na2B4O7-NaOH缓冲介质中,研究了1-吡淀-3-[4-(苯基偶氮)苯基]-三氮烯(PYPAPT)与汞离子(Hg2 )的显色反应,建立了微量汞的测定方法。Hg2 与PYPAPT形成1∶2的红色络合物,络合物最大吸收波长位于518 nm,表观摩尔吸光系数为1.42×105L.mol-1.cm-1,Hg2 质量浓度在0~0.64 mg/L范围内符合比尔定律。方法用于铅锌矿样中微量汞的测定,RSD小于2.6%,测定结果与AAS法相符。     

1-(2-吡啶偶氮)-2-萘酚分光光度法测定硫酸阳极氧化液中铜

研究了铜与1-(2-吡啶偶氮)-2-萘酚(PAN)的显色反应,建立了测定硫酸阳极氧化液中铜的新方法。以TritonX-100为增溶增敏剂,明胶作稳定保护剂,在酸性条件下Cu-PAN络合物稳定保持在水相中,直接进行光度分析。该络合物在558nm处有最大吸收峰,其表观摩尔吸光系数ε=2.25×104L.mol-1.cm-1。方法检出限为0.028μg/mL,线性范围为0～3.2μg/mL,用于测定硫酸阳极氧化液中的铜,加标回收率为98.2%～105.6%,相对标准偏差≤0.34%。     

Effect of FTY720 and ICAM-1 mAb mono and combination therapy in cardiac allo-transplantation in rats

Objective To observe the effect of FTY720 and ICAM-1 mAb mono and combination therapy in cardiac silo-transplantation in rats. Methods Rats were randomly assigned to 9 groups, heart allo-transplantation were performed in abdominal site with micro-surgical technique. Recipients with allografts were treated with different doses of FTY720 and(or) ICAM-1 mAb. Graft survival, histopathology andlevel of serum IL-2, IFN-γ, IL-4, IL-10were investigated. Results Low doses of FTY720 (lmg/kg) combined with ICAM-1 mAb achieved synergistic effect in the prolongation of cardiac graft survival, combination index(CD =0.67. Conclusion Concomitant therapy of FTY720 and ICAM-1 mAb achieved a synergistic effect in the prolongation of heart allograft survival in rats.