The Iyengar Type Inequalities with Exact Estimations and the Chebyshev Central Algorithms of Integrals

In this paper, both low order and high order extensions of the Iyengar type inequality are obtained. Such extensions are the best possible in the same sense as that of the Iyengar inequality. hzrthermore, the Chebyshev central algorithms of integrals for some function classes and some related problems are also considered and investigated.     

A simplified green chemistry approach to the Biginelli reaction using ‘Grindstone Chemistry’

Grindstone Chemistry--a greatly evolved version of Toda’s method of grinding solids together for solvent-free chemical reactions--has been described and its usefulness illustrated by the successful application of this technique to a simplified process for conducting the multi-component Biginelli reaction for the synthesis of physiologically active tetrahydropyrimidinones.     

基于遗传算法和指标满意度求解的第三方物流企业物流中心选址方法

本利用AHP和模糊综合评价法评价物流中心选址的定性指标、用量化选址模型结合遗传算法计算定量指标，再藉助指标满意度求解把定性和定量的指标进行综合，从而为决策对物流中心选址做出科学的决策提供支持。     

γ-辐照对纯Y_2SiO_5和Eu~(3+)∶Y_2SiO_5晶体光谱性能的影响

研究了γ-辐照前后纯Y2SiO5和Eu3+掺杂的Y2SiO5晶体吸收光谱的变化,辐照后,未退火和氢气退火的纯Y2SiO5晶体在260~270 nm和320 nm波段产生了附加吸收峰,分别是由F心和O-心的吸收引起的;经过空气退火的纯YSO晶体中,由于消除了氧空位,因此辐照后没有出现色心吸收峰。在Eu3+∶Y2SiO5晶体中,不但有相同的F心和O-心吸收峰,而且还有Eu2+离子在300 nm和390 nm的吸收峰。随着辐照剂量的增加,色心附加吸收峰增强。空气退火能减少Eu3+∶Y2SiO5晶体中的色心,而氢气退火能增加色心。     

Selective synthesis of dehydroamino acids from threonines

Dehydropeptides containing dehydroamino acid (ΔAA) are frequently found in natural resources with important biological activity. Herein, we report the selective synthesis of Z- and E-ΔAbu from l- and l-allo-threonine as starting materials through selenation and oxidative elimination. The detailed reaction mechanism of phosphine-assisted selenoether formation is also discussed.     

A nucleophilic substitution reaction in microemulsions based on either an alcohol ethoxylate or a sugar surfactant

A nucleophilic substitution reaction between 4-tert-butylbenzyl bromide and a series of iodide salts has been performed in oil-in-water microemulsions based on either a fatty alcohol ethoxylate or a sugar surfactant. The reaction kinetics was compared with the kinetics of the same reaction performed in a microhomogeneous reaction medium, d-MeOH. Previous results showing a particularly high reactivity in the microemulsion based on the fatty alcohol ethoxylate was confirmed. It was shown that in both microemulsions the reaction rate was almost independent of the choice of counterion to iodide. This indicates that complexation of the cation with the surfactant headgroup, which, in particular, could have taken place with surfactants containing oligooxyethylene chains (a “crown ether effect”), seems not to be of importance.

¹²⁷I NMR studies, as well as quadrupole splitting experiments performed by ²H NMR, indicate that there is a certain accumulation of iodide at the oil–water interface of the microemulsions. It is difficult to draw any quantitative conclusions in this respect, however.

The results obtained in this study, combined with results from previous investigations of the same reaction, indicate that the unexpectedly high reactivity obtained in the microemulsion based on a surfactant containing an oligooxyethylene headgroup is most probably due to the nucleophile being poorly solvated when present in the headgroup layer of such a microemulsion. Poorly solvated anions are known to be highly reactive nucleophiles.     

F／Cl比与Eu~（2＋）：BaFCl中F色心的浓度和光激励截面的关系

研究了Ｅｕ（２＋）：ＢａＦｘＣｌ２在紫外线辐照下的光激励发光。通过改变激励方式及激励光的扫描方向，给出了Ｅｕ（２＋）：ＢａＦｘＣｌ２－ｘ光激励发光过程中，两种Ｆ色心的浓度比值与光激励截面比值的测定方法。利用这种测定方法，进一步研究了两种Ｆ色心的浓度比值和光激励截面比值与Ｆ／ＣＩ比值的关系。     

Crystal dissolution kinetics and Gibbs free energy

The dependence of dissolution rates on the difference of Gibbs free energy is of critical importance for our understanding of crystal dissolution, reactive flow models and their applications to a variety of environmentally related problems. Here, we review experimental data generated with mineral powders and single crystals to develop a better understanding of apparent inconsistencies between otherwise internally consistent data sets. Additional information from direct surface observations and measurements with vertical scanning interferometry (VSI) and atomic force microscopy (AFM) of albite dissolution at 25, 150 and 185 °C may shed new light on this old but unsolved question. Our discussion is based on the importance of etch pit development, its ΔG dependence, and the pits’ role as a source for steps and step movement in the dissolution process. Results indicate that reaction history may be of critical importance in determining the overall reaction mechanism and its rate. Different rates are observed for systems having otherwise identical ΔG_r acquired from increasing versus decreasing disequilibrium positions.

In this context, we finally discuss the validity of the common application of transition state theory (TST) to elementary and overall reactions governing the dissolution process. In this discussion of crystal dissolution, we contrast TST applications with a stochastic, many-body treatment that has led to the development of a stepwave model. This discussion also focuses on the controversy caused by the rivalry between surface adsorption models and a probabilistic model that seeks to incorporate the full three-dimensional crystal structure.     

C2（a 3Πu）+NO 的反应机理研究

在G2 (CC ,MP2 )理论水平上研究了C2 (a3 Πu)自由基与NO分子的反应 .计算了反应体系最低二重态势能面上各驻点的构型参数、振动频率和能量 ,揭示了此反应存在两种反应机理 :由NO中的O原子进攻C2 自由基形成CCON中间体的CCON机理和NO中的N进攻C2 自由基形成CCNO中间体的CCNO机理 ,分析了对应与这两种反应机理的五个可能的反应通道 ,得出了由NO中的N原子进攻3 C2 自由基 ,生成中间体CCNO自由基 ,最终得到产物CN +CO的通道是最有利的通道 .     

炉液倾动重心近似计算的数学分析

为给转炉设计提供依据,需要计算炉液倾动的重心.利用数学方法将实际问题进行简化,通过分析炉液倾动过程中变量间的相互关系,来确定每个倾动角度对应情况下的液面位置.利用数学中三重积分的有关应用,进一步得出转炉在每个倾动角度为α∈(0,π2)时的重心计算方法及相关结论,在理论上为工程计算重心的方法提供参考.