A new regioselective synthesis and bioactivity of 1H‐pyrazolo[3,4‐d]pyrimidin‐4(5H)‐one derivatives

A series of new 1H‐pyrazolo[3,4‐d]pyrimidin‐4(5H)‐one Derivatives 5 has been designed and regio‐selectively synthesized via a tandem aza‐Wittig reaction. The structures of all compounds prepared have been confirmed by ¹H NMR, IR, EI‐MS spectroscopy and elemental analyses. The results of preliminary bioassay indicate that most compounds 5 possess an inhibition effect against Botrytis cinereapers and Pyricularia oryzae at the concentration of 50 mg/L.     

酸糖蛋白手性柱分离6种手性化合物

通过考察缓冲液种类、浓度及其pH值对对映体在手性柱上的保留和分离行为的影响,以及流动相中加入不同种类、不同浓度的不带电荷的有机溶剂乙腈、甲醇、正丙醇、异丙醇、流动相流速和柱温对对映体分离能力的影响,优化了含碳手性中心的碱性药物苯丙哌林、酸性化合物MT-A5及MT-酸和含硫手性中心的质子泵抑制剂奥美拉唑、泮托拉唑、雷贝拉唑对映体分离条件,最佳手性分离条件为:苯丙哌林,0.05 mol/L磷酸二氢铵缓冲液(pH 3.0)-乙腈(95∶5,V/V)为流动相,流速为0.7 mL/m in,柱温为20℃;MT-A5及MT-酸,流动相为0.01 mol/L醋酸铵缓冲液(pH 5.0)-乙腈(74∶26,V/V),流速为0.9 mL/m in,柱温为20℃;泮托拉唑,流动相为10 mmol/L醋酸铵缓冲液(pH 5.5)-乙腈(93∶7,V/V),流速为0.9 mL/m in;柱温为20℃;奥美拉唑和雷贝拉唑,流动相为0.01 mol/L醋酸铵缓冲液(pH 3.0)-乙腈(95∶5,V/V),流速为0.7 mL/m in,柱温为20℃。实现了应用高效液相色谱法在α1-酸糖蛋白手性柱上对上述化合物的对映体分离,并成功用于手性药物合成中的对映体过量百分率的测定。     

Characteristics and structures of weak efficient surfaces of production possibility sets

This paper studies the characteristics and structure of the weak surface of the production possibility set. We apply techniques and methods of transferring a polyhedral cone from its intersection form to its sum form, identify an intersection representation of the production possibility set. We give the structure theorem of weak surface of the production possibility set, which includes three complementary slackness conditions. We define the input weak efficiency and output weak efficiency for different DEA models according to the representation of the intersection form. It investigates the characteristics of the weak surfaces, and proves the structure theorems of input weak DEA efficiency and output weak DEA efficiency. The structure theorems establish weighted combination of inputs and outputs that are weak DEA efficient. Numerical examples are provided for illustration.     

Crystallographic report: Bis(norfloxacin)dilead(II) tetranitrate, [Pb2(H‐Norf)2(ONO2)4]

The centrosymmetric binuclear structure of [Pb₂(H‐Norf)₂(ONO₂)₄]shows the geometry around each lead(II) atom to be distorted trigonal bipyramidal with Pb–O distances ranging from 2.357(3) to 2.769(4) Å. Copyright © 2003 John Wiley & Sons, Ltd.     

四种多变量校准方法在FTIR多组分分析中的性能比较

本文对四种多变量校准方法－－经典最小二乘法（CLS），偏最小二乘法（PLS），卡尔曼滤波法（KFM）以及人工神经网络法（ANN）－－在多组分浓度分析方面的性能进行了比较。选择五种红外谱图严重混叠的大气有机毒物－－1，3－丁二烯，苯，邻二甲苯，氯苯和丙烯醛－－作为分析对象。分别计算各种方法对该5组分体系的平均预测误差MPE和平均相对误差MRE进行比较。结果表明，偏最小二乘法在处理这类问题中是最稳健的方法。     

系综分布和它的小涨落近似

由“从正则分布出发，在小涨落近似下得出的能量涨落分布公式”求得的能量涨落的二次矩与直接由正则分布求得的二次矩完全相同，但分别由二求得的高次矩并不完全相同。     

A New Pathway to Synthesize Cyclomercurated Ferrocenylimines Containing Heterocyclic Ring

The cyclomercurated ferrocenylimines containing heterocyclic ring were prepared by the condensation of cyclomercuration of acylferrocene with the appropriate heterocyclic amine.This procedure provides an efficient method for the synthesis of cyclomerucurated ferrocenylimines containing heterocyclic ring which are difficultly synthesized by the conventional method.The reaction mechanism is proposed.     

在白噪声分析中的广义维里拉普拉斯

一类广义维里拉普拉斯，把在白噪声分析构架中通常定义的维里拉普拉斯作为特殊情形而包含。     

析氢反应动力学的交流阻抗法研究

利用交流阻抗法测定析氢电化学动力学参数，得到与极化曲线法一致的结果，为确定复杂析氢过程速率的决定步骤提供了判据。     

Activity coefficients for NaBr in aqueous ternary solutions with sodium propionate and butyrate from EMF measurements

The activity coefficients of NaBr in the NaBr–NaPropionate–H₂O and NaBr–NaButyrate–H₂O systems were determined from EMF measurements at constant total ionic strength of 0.1 0.5 1.0 1.5 2.0 and 2.5 mol-kg^–1 and at 25° C. The activity coefficients were fitted using Scatchard, Pitzer and Lim equations. Finally the excess Gibbs free energy of these mixtures were also calculated.