中药玄精石的物相与结构分析

中药玄精石的物相与结构分析;中药; 玄精石; X射线衍射; 晶粒尺寸; 微量元素; 热分析     

Numerical Simulation Solution of the BCS Pairing Problem

We propose a new simulation computational method to solve the reduced BCS Hamiltonian based on spin analogy and submatrix diagonalization. Then we further apply this method to solve superconducting energy gap and the results are well consistent with those obtained by Bogoliubov transformation method. The exponential problem of 2^N-dimensional matrix is reduced to the polynomial problem of N-dimensional matrix. It is essential to validate this method on a real quantum computer and is helpful to understanding the many-body quantum theory.     

BSO晶体生长固/液边界层结构的实时观测研究

实时测量BSO晶体水平区熔法生长过程中,研究固/液边界层以及边界层两侧的晶体和熔体的显微拉曼光谱,晶体生长固/液边界层以及边界层两侧的熔体和晶体的结构特征, 生长基元结构从熔体结构经边界层过渡到晶体结构的变化过程。结果显示, BSO熔体中存在Bi₃O₄和[SiO₄]的键合结构; Bi₃O₄分子基团在固/液边界层聚合形成[BiO₇]八面体单体、多聚体,与[SiO₄]结构基团联结,在通过固／液边界层时进入格位。     

脂肪胺荧光衍生物的高效液相色谱分离及质谱鉴定

采用新型荧光衍生试剂2-(9-吖啶酮)-乙酸(AAA)进行柱前衍生并经荧光检测对脂肪胺进行了高效液相色谱(HPLC)分离和在线质谱定性.衍生物荧光激发和发射波长为λex=404nm,λem=440nm.30℃下在乙腈溶剂中用N-乙基-N′-[(3-二甲氨基)丙基]碳二亚胺盐酸盐(EDC)做催化剂,衍生反应20min后获得稳定的荧光产物.在HypersilBDSC18(4.6mm×100mm,5μm)色谱柱上,采用梯度洗脱对12种脂肪胺衍生物进行了优化分离.采用大气压化学电离源(APCISource)正离子模式进行在线柱后质谱定性,实现了各种脂肪胺衍生物的快速、准确测定.该方法具有良好的重现性,多数脂肪胺的线性回归系数大于0.9996,检测限为12.09~25.52fmol.     

Microwave-assisted Extraction of Rutin and Quercetin from Flos Sophorae

Three microwave-assisted extraction(MAE) procedures were studied. The first procedure was household microwave oven dynamic extraction(HMODE). The second procedure was special microwave oven bath extraction (SMOBE). The third procedure was microwave resonant cavity dynamic extraction (MRCDE). The results obtained by the three microwave-assisted extraction procedures were compared with those obtained by using traditional Soxhlet extraction. The results indicate that the MAE not only took a shorter time, but also simplified the procedure, and made the extraction a higher yield. At the same time the results obtained by the three MAE procedures were also compared with each other.     

Syntheses of 2- or 6-Substituted Chromones and Chromone Ring-opening Reaction in Polyphosphoric Acid

In an attempt to find new antitumor agents, a novel class of chromone compounds with a benzimidazoleor a benzoxazole ring in positions 2 or 6 were synthesized νia condensation in polyphosphoric acid(PPA) byusing chromone acids as the starting materials. During the preparation process, it was found that PPA couldcleave the chromone ring to produce a ring-opening compound(6). The molar ratio of the chromone com-pound (5) to the ring-opening compound (6) varied with the change of reaction temperature and time. Basedon MTT protocol, the antitumor activity of each of the compounds obtained was evaluated against three hu-man cancer cell lines: KB(oral epidermal), A2780(ovary) and Be17402 (liver). The IC50 varied from 54.7μmol/L to more than 180 μmol/L.     

铌酸锂晶体高温拉曼光谱研究

采用高温拉曼光谱法,对铌酸锂晶体高温下的结构特征进行了研究.结果显示,室温下较强的拉曼振动模式主要是由[NbO6]八面体的振动所引起的;随着温度升高,频率减小,谱峰位置向低波数方向移动,可观测到的谱峰数目减少.这主要是由晶体内模所对应的Nb-O键合强度随着温度升高而减弱引起的.     

钙镁硅酸盐溶度积常数的测定

借助高频等离子体发射光谱分别测定了一定温度下钙镁硅酸盐(CaO.mSiO2、MgO.mSiO2,其中m为模数)饱和溶液中Ca2 、Mg2 的平衡浓度,从而计算该温度下钙镁硅酸盐的溶度积常数,并研究了温度及水玻璃模数对钙镁硅酸盐溶度积常数的影响。结果表明,在同一温度下钙硅酸盐溶度积常数比镁硅酸盐溶度积常数小,在30℃下,水玻璃模数m为3.29时,钙硅酸盐的溶度积常数为1.14×10-8,而镁硅酸盐的溶度积常数为2.29×10-5;随着温度升高钙镁硅酸盐溶度积常数减小,当温度升高至90℃时,钙硅酸盐的溶度积常数减小至0.92×10-8,而镁硅酸盐的溶度积常数减小至1.68×10-5;在同一温度下随着水玻璃模数的增加,与其对应钙镁硅酸盐溶度积常数减小,由于模数的增加使沉淀中硅酸根离子直径变大,与钙镁离子反应生成钙镁硅酸盐晶体更易于沉淀,且更不易溶解,从而使钙镁硅酸盐的溶度积常数减小。     

聚合物锂离子电池阴极热复合聚集状态对电池性能的影响

制备了多层复合的聚合物锂离子电池 ,研究热压复合温度对电池性能的影响 .热压复合温度是聚合物锂离子电池生产中的一个关键控制参数 ,阴极片在合适的热压温度下 ,电池的性能较好 ;温度偏高或偏低都对电池不利     

烯烃光敏顺反异构化反应

烯烃光顺反异构化是一个重要的基元有机光化学反应.本文从垂直中间态理论和势能面的角度对烯烃光敏顺反异构化反应机理进行了综述,并介绍了这些理论在异构体激发三重态能量的确定和敏化剂筛选中的应用.