液晶化合物的质谱研究：Ⅰ.手性苯基吡啶,苯基嘧啶类液晶

对手性苯基吡啶、苯基嘧啶类液晶共十九个化合物进行了电子轰击质谱和化学电离质谱测定，讨论了它们的质谱特征和裂解机理。     

柠檬酸生产过程中溶解氧控制策略的研究

溶解氧是柠檬酸发酵过程中的重要参数之一，但由于影响因素很多，精确模型难以建立，所以不易获得满意的控制效果。本文提出一种选择一预测控制方法。通过仿真证明该方法简单、易实现，且有较好的鲁棒性。     

量子化学方法研究HZSM-5沸石结构酸性(Ⅳ)

HZSM-5沸石分子筛硅铝骨架结构基本单元为五元环,它通过氧桥联接而得到单元为四元环、六元环。本文采用CNDO/2半经验量子化学的方法,对HZSM-5沸石基本结构单元—四、五、六元环的电荷分布进行计算。依据Mortier等人处理y型沸石分子筛酸性的基本思想,从而得到了HZSM-5沸石分子筛酸性结构参数α_0。Barthomeuf等认为沸石分子筛可作为一个多元酸的电解质溶液,因此其质子酸度应用活度来表示。a_(H~+)=[H~+]f_(H~+),而活度系数f_(H~+)为结构参数乘以一个常数,f_(H~+)=Kα_0,我们取K=32,[H~+]=nH~+αN_(A_1)/Z_(cat),从理论上求出HZSM-5沸石分子筛在不同硅铝比时的活度,其结果和实验值相一致。这为从理论上计算HZSM-5沸石分子筛的酸性提供了一个参考方法。     

Time series forecasting using robust regression

The method of ordinary least squares (OLS) and generalizations of it have been the mainstay of most forecasting methodologies for many years. It is well-known, however, that outliers or unusual values can have a large influence on least-squares estimators. Users of automatic forecasting packages, in particular, need to be aware of the influence that outlying data values can have on statistical analyses and forecasting results. Robust methods are available to modify least-squares procedures so that outliers have much less influence on the final estimates; yet these formal methods have not found their way into general forecasting procedures. This paper provides a case study in which classical least-square-estimation procedures are complemented with a robust alternative to enhance statistical fit criteria and improve forecasting performance. The study suggests that much can be gained in understanding the nature of outliers and their influence on forecasting performance by performing a robust regression in addition to OLS.     

羰基簇合物途径制备的碳载Pt-Co催化剂阴极抗甲醇性能

通过Pt和Co羰基簇合物途径制备了碳载Pt—Co(Pt-Co／C)复合催化剂．其金属粒子的平均粒径小．相对结晶度很低．与商业化的E-TEK Pt／C催化剂相比,该催化剂具有较好的抗甲醇性能和电催化氧还原活性．     

Dawson结构钨钛磷杂多配合物~(183)WNMR谱的研究

研究了Dawson结构取代原子数与相应的183 WNMR谱中“极位”W原子的化学位移值间的关系 .预测了α - 1 ,2 [P2 W16Ti2 O62 ]10 -,α - 1 ,2 - [P2 W16(TiO2 )2 O60 ]10 -“极位”W原子183 WNMR谱化学位移值 ,结果α - 1 ,2 - [P2 W16Ti2 O62 ]10 -和α - 1 ,2 - [P2 W16(TiO2 ) 2 O60 ]10 -中与取代Ti相连“极位”W原子的化学位移值分别为 :- 5 9.3ym ,- 66.5ym ;与取代Ti相对称“极位”W原子的化学位移值分别为 :- 1 49.3ym ,- 1 62 .6ym ;与取代Ti不对称“极位”W原子的化学位移值分别为 :- 1 2 5 .4ym ,-1 31 .4ym .     

‘Classical’ and ‘new’ diabetogens—comparison of their effects on isolated rat pancreatic islets in vitro

This study compares functional and morphological alterations caused by application of alloxan, streptozotocin, xanthine oxidase/hypoxanthine (generation of reactive oxygen species), or S-nitroso-N-acetyl-D,L-penicillamine (SNAP, liberation of nitric oxide) to isolated rat pancreatic islets in vitro. In perifusion experiments, membrane leakage—detected by non-stimulated insulin release—was found after application of all drugs, but showed a substance-specific time pattern. Twenty-four hours after application of the classical diabetogens (alloxan or streptozotocin), potassium chloride- and glucose-stimulated insulin secretion were markedly reduced, while a persistent reduction was observed neither after exposure to xanthine oxidase/hypoxanthine, nor to SNAP. Morphological analysis of the islets revealed that nearly all β-cells were destroyed following alloxan or streptozotocin treatment, while the majority of β-cells were configured regularly after application of xanthine oxidase/hypoxanthine or SNAP. Necrotic cells found after xanthine oxidase/hypoxanthine usually differed in morphology from those observed after application of the classical diabetogens. While the former cells were characterised by swollen nuclei, the latter had shrunken nuclei with irregular condensed chromatin. Apoptosis was found only following nitric oxide exposure. Due to these differences, it seems unlikely that alloxan, streptozotocin, xanthine oxidase/hypoxanthine, and nitric oxide have a common major feature in their toxic action. Received 16 September 1999; received after revision 15 November 1999; accepted 26 November 1999     

MnOx-M/AC(M=La,Ce,Co,Ni)氧还原催化材料的制备及性能

用热解法制备了掺杂La、Ce、Co、Ni等元素的氧还原催化材料MnOx/AC,并采用XRD和电化学方法对所制备材料的性质和电化学反应性能进行了表征。结果表明,掺杂适量的La、Ce、Co和Ni等元素可改善电极的氧还原反应性能。掺杂La和Co元素的MnOx/AC氧催化还原性能最好,其中,在50mA/cm2的电流条件下,使用这两种掺杂材料所制备的模拟锌-空气电池的放电电压分别为1.1236V和1.1246V。