Nonalkaloid Constituents from Stemona japonica

Five new nonalkaloid constituents, a neolignan, japonin A ( 1 ), a macrocyclic lactone, japonin B ( 2 ), a (phenylethyl)benzoquinone, japonin C ( 3 ), a phenanthraquinone, japonin D ( 4 ), as well as a dihydrostilbene, stilbostemin M ( 5 ), were isolated from the roots of Stemona japonica, together with eight known compounds. Their structures were established by spectroscopic analyses.     

Bis[bis­(methoxy­carbimido)amine‐κ2N,N′]bis­(perchlorato‐κO)copper(II) bis­[bis­(methoxy­carbimido)amine‐κ2N,N′]bis­(methanol‐κO)copper(II) bis­(perchlorate) methanol disolvate

The title compound, [Cu(ClO₄)₂(C₄H₉N₃O₂)₂][Cu(C₄H₉N₃O₂)₂(CH₄O)₂](ClO₄)₂·2CH₃OH, comprises two independent Cu^II species lying on different inversion sites. In the Cu complexes, a distorted octa­hedral geometry arises (from basic square‐planar N₄ coordination) from the weak coordination of two perchlorate ions (as Cu—O) in one species and two methanol mol­ecules in the other (also as Cu—O). Inter­actions between the O atoms of the perchlorate anions or methanol groups and the imide or amine NH groups afford an extensive inter­molecular hydrogen‐bonding network.     

New antitumor triterpene saponin from Lysimachia capillipes

One new saponin, named capilliposide D (1), and a known saponin, candidoside (2), were isolated from the whole plants of Lysimachia capillipes. Their structures were determined by 1D and 2D NMR, MS techniques, and chemical methods. Published in Khimiya Prirodnykh Soedinenii, No. 3, pp. 268–270, May–June, 2006.     

Fractal phenomena in molecular mechanics calculation

It is proposed that in molecular mechanics calculation points belonging to various stable or meta-sta-ble conformtrs are mixed up and form fractal structures in conformation space.The calculation results show the following two phenomena:(i)Two levels of structure with fractal feature were observed.Around the conformer without mirror symmetry points belonging to the conformer and its enantiomer are mixed up and form the first level of fractal structure; on the boundary of the attractive basin o{ each atlractor,points belonging to different attractors form the second level of fractal structure.(ii) The variation of molecular mechanics parameters will influence the structure and area of each attractive basin significantly The above phenomena may become the basis of a new method for solving the troublesome multi-minimum-point problem in molecular mechanics calculation.     

动力学体系二维数据的秩分析及其应用

详细论证了动力学体系中存在的多种共线性情况,以及在此情况下二维数据阵的秩与独立反应数及组分数的关系.分析了通过增秩这一方式来判断体系组分数的条件.讨论了反应间存在物质交换对数据阵秩的影响.建立起一套通过秩分析判断未知动力学体系中存在的反应组分数、独立反应数以及可能反应机理的方法.将秩分析技术应用到聚苯胺与质子酸反应,初步分析了该体系存在的多种吸光性结构及结构变化.确定了[H＋]=0.01～0.1 mol•L－1范围内,聚苯胺与质子酸反应存在一个三结构两步互变过程.     

表面活性剂对铽—钛铁试剂体系纸上荧光的增敏作用及其应用

本文研究了9种表面活性剂对钛铁试剂体系纸上荧光法中Tb~(3+)特征荧光的增敏作用,并探讨了钛铁试剂-溴化十六烷基三甲胺体系纸上荧光法测定Tb~(3+)的最佳条件,Tb~(3+)的检测限为0.7ng。应用本方法成功地测定了中稀土分离富集物中Tb_4O_7的含量。     

Chromatographic behavior of poly(styrene-divinybenzene) encapsulated packing material for capillary electrochromatography

Poly(styrene-divinylbenzene) encapsulated silica (PS-DES) was synthesized and its characteristics as capillary electrochromatography stationary phase were studied. On capillary columns packed with this stationary phase, the effects of acetonitrile concentration as well as pH values on electroosmotic flow, and the effect of the latter on column efficiency were evaluated. Aromatic hydrocarbons, polar and basic medicinal compounds were successfully separated by using reversed-phase elution. It was evident that selectivity based on pi-pi electronic interaction between solute and stationary phase molecules contributed to the separation. Peaks in the chromatograms obtained were generally symmetrical. At a pH of the mobile phase as high as 11.2, the stationary phase was still stable after more than 160 h of exposure.     

压电增强的等离激元光催化材料Ag/BaTiO3的制备及性能研究

针对光催化过程中的低光利用率和低催化效率，采用光化学还原法将Ag纳米颗粒均匀修饰在BaTiO₃纳米压电材料表面，制备了x mol/L-Ag/BaTiO₃（x=0.01、0.02、0.04，x为Ag的浓度）等离激元压电光催化剂.研究了压电光催化过程中的反应机理及等离激元颗粒负载的浓度对光催化剂性能的影响.研究结果显示，0.02 mol/L-Ag/BaTiO₃在全光谱光辐照和超声激发的压电场的辅助下，在75 min内可降解91%的罗丹明B，将降解效率提升了21%，证实了纳米复合结构中压电势对表面等离激元光催化活性的重要影响.催化性能的提升源于压电效应和表面等离子体共振效应的协同作用.Ag纳米颗粒的等离子体共振效应（LSPR），使光吸收范围从紫外光区扩大至可见光波段.超声驱动可使BaTiO₃纳米压电体发生形变而于表面产生压电电荷，压电势的存在进一步增强了LSPR诱导的光生载流子分离，促进羟基自由基的生成，加速有机染料的降解.本工作将BaTiO₃的压电效应引入等离子体光催化中，可推广到其他材料和催化系统中，为环境净化提供一种有效的技术.     

CoAPO-11分子筛的合成、表征和催化性能： 1-己烯异构化反应

水热法合成了钴取代磷铝酸盐分子筛CoAPO-11，并采用了X射线衍射、扫描电子显微镜、红外光谱、紫外可见光谱以及氮气吸脱附等表征手段对合成的样品进行表征，并在合成的分子筛上进行1-己烯异构化反应评价，并考查了温度和空速对反应的影响。结果表明，在反应温度300℃及空速为2.4h－1CoAPO-11分子筛对1-己烯异构化反应具有较好的催化性能。     

3 D-QSAR Analysis of Agonists of nAChRs： Epibatidine Analogues

A 3 D-QSAR about nAChRs agonists epibatidine analogues was performed using theCoMFA and CoMSIA. The correlation coefficients were R2cv = 0.546, R2cv = 0.907 in CoMFA andR2cv = 0.655, R2,~ = 0.962 in CoMSIA of the final model. The prediction using the final models tothe test set was r2 = 0.675 in CoMFA and r2 = 0.462 in CoMSIA. This model will be useful in thedesign of novel compounds with high affinity.