Unexpectedly ligand-free copper-catalyzed C–S cross-coupling of benzothiazole with aryl iodides in aqueous solution

A novel synthetic protocol for 2-aminophenyl sulfide derivatives via the reactions of benzothiazole with aryl iodides was reported for the first time. The reactions were catalyzed by CuCl with tetrabutylammonium hydroxide as the base and water as the solvent without ligand at 50 °C or room temperature. A variety of aryl iodides underwent the C–S cross-coupling reaction with benzothiazole to afford smoothly the corresponding products in excellent yield.     

准弹性激光光散射在血细胞检测中的应用

本文利用准弹性激光散射法和细胞电泳法对不同哺乳动物的红细胞,淋巴细胞、粒细胞进行检测,结果表明在一定条件下,不同类型的血细胞平均电泳速度有明显差别。这一结果为光散射法应用于血细胞检测提供了可能性。     

Mössbauer studies of interstitial intermetallics

After an introduction to interstitial incorporation of 2p elements in iron-based alloys, the main physical effects of these interstitials on the intrinsic properties of rare-earth intermetallics are outlined. Then follows a survey of the results obtained using the⁵⁷Fe and several rare-earth resonances for rare-earth intermetallics with the Th₂Zn₁₇, Th₂Ni₁₇, ThMn₁₂ and BaCd₁₁ structures in which nitrogen or carbon has been interstitially incorporated. The results of Mössbauer studies in this area are discussed, and future prospects are assessed.     

磷酸盐、锗酸盐和碲酸盐玻璃中Ce3+、Tb3+、Er3+、Tm3+离子的发光和敏化作用的研究——Ⅰ.吸收光谱、荧光光谱和激发光谱

研究了在不同基质玻璃中Ce3+、Tb3+、Er3+和Tm3+离子的吸收、荧光和激发光谱,对发光强度进行了定量的测定。研究了玻璃基质的紫外吸收对发光的影响,并且讨论了无机玻璃的配位场与上述稀土离子的相互作用。     

5,15-二（二茂铁基）-卟啉酞菁钇的结构和振动光谱的密度泛函理论研究

本文选用混杂的B3LYP密度泛函理论方法,在Lanl2dz水平上,对5,15-二（二茂铁基）-卟啉酞菁钇[Por(Fc)2]Y(Pc)的结构进行了优化,结果表明,5,15-二（二茂铁基）-卟啉酞菁钇呈现出三明治型构型,卟啉环与酞菁环呈穹型围绕在金属钇原子周围。对分子内主要的键长与键角进行了理论计算,通过频率计算,得到了5,15-二（二茂铁基）-卟啉酞菁钇[Por(Fc)2]Y(Pc)的红外光谱图,与实验所得的红外光谱图进行比对,将理论计算和实验所得的光谱主要振动峰进行了线性回归拟合,相关系数为0.992,标准偏差为16.96。理论计算与实验所获得的红外光谱图基本一致,说明本文所选用的DFT理论计算方法是可行的。通过GaussView软件对5,15-二（二茂铁基）-卟啉酞菁钇的红外谱带简正振动模式进行了指认。此外,分析讨论了5,15-二（二茂铁基）-卟啉酞菁钇[Por(Fc)2]Y(Pc)的分子静电势,确定了极大值与极小值的位置。对于研究5,15-二（二茂铁基）-卟啉酞菁钇分子的性质,提供了相应的理论基础。     

石墨烯纳米带电极区N掺杂电子输运性质研究

运用密度泛函理论和非平衡格林函数结合的方法,研究电极区N掺杂对扶手椅型石墨烯纳米带电子输运特性的影响.结果表明,与本征扶手椅型石墨烯纳米带电流-电压曲线相比,宽度为7的石墨烯纳米带电流-电压曲线表现出明显的不对称性,其中心N掺杂表现强烈的整流特性,整流系数达到102数量级,且将N原子从电极区中心位置移动到边缘,整流特性减弱.研究结果表明宽度为7的扶手椅型石墨烯纳米带出现强整流现象的原因主要是负向偏压下能量窗内没有透射峰引起的,该研究结果对将来石墨烯整流器件的设计具有重要的意义.     

Multivariate Polynomial Minimization and Its Application in Signal Processing

We make a conjecture that the number of isolated local minimum points of a 2n-degree or (2n+1)-degree r-variable polynomial is not greater than n ^r when n 2. We show that this conjecture is the minimal estimate, and is true in several cases. In particular, we show that a cubic polynomial of r variables may have at most one local minimum point though it may have 2^r critical points. We then study the global minimization problem of an even-degree multivariate polynomial whose leading order coefficient tensor is positive definite. We call such a multivariate polynomial a normal multivariate polynomial. By giving a one-variable polynomial majored below a normal multivariate polynomial, we show the existence of a global minimum of a normal multivariate polynomial, and give an upper bound of the norm of the global minimum and a lower bound of the global minimization value. We show that the quartic multivariate polynomial arising from broad-band antenna array signal processing, is a normal polynomial, and give a computable upper bound of the norm of the global minimum and a computable lower bound of the global minimization value of this normal quartic multivariate polynomial. We give some sufficient and necessary conditions for an even order tensor to be positive definite. Several challenging questions remain open.     

Nonparametric estimation of distributions with categorical and continuous data

In this paper we consider the problem of estimating an unknown joint distribution which is defined over mixed discrete and continuous variables. A nonparametric kernel approach is proposed with smoothing parameters obtained from the cross-validated minimization of the estimator's integrated squared error. We derive the rate of convergence of the cross-validated smoothing parameters to their ‘benchmark’ optimal values, and we also establish the asymptotic normality of the resulting nonparametric kernel density estimator. Monte Carlo simulations illustrate that the proposed estimator performs substantially better than the conventional nonparametric frequency estimator in a range of settings. The simulations also demonstrate that the proposed approach does not suffer from known limitations of the likelihood cross-validation method which breaks down with commonly used kernels when the continuous variables are drawn from fat-tailed distributions. An empirical application demonstrates that the proposed method can yield superior predictions relative to commonly used parametric models.