褪黑激素受体拮抗剂的三维定量构效关系研究

采用两种分子场分析方法即比较分子场分析法（CoMFA）和比较分子相似因子分析法（CoMSIA）进行了37个褪黑激素受体拮抗剂的构效关系研究.计算结果表明，两种方法得到的构效关系模型都具有较好的预测能力.在计算中，还考察了不同格点距离和电荷计算方法对构效关系模型的影响.通过分析分子场等值面图在空间的分布，可以观察到叠合分子周围分子场特征对化合物活性的影响，为设计新的褪黑激素拮抗剂提供了一些理论依据.     

Novel Cyanine Dyes: Synthesis,Characterization and Photosensitization‐Structure Correlation

Novel furo, thieno and pyrrolo[2,3‐b]pyrazole cyanine dyes were synthesized. The structure‐photosensitization properties correlation of the dyes were examined in 95% ethanol solution by absorption spectroscopy. The chemical structure of the starting biheterocyclic compounds and their derived cyanine dyes were confirmed by elemental analysis, IR and ¹H NMR spectroscopy.     

纳米晶La_（1－_x）Sr_xFeO_3的合成及气敏特性的研究

用柠檬酸盐法合成出Ｌａ_（１－_ｘ）Ｓｒ_ｘＦｅＯ_３（ｘ＝０．１，０．２，０．３，０．４）原粉，再经固相反应得到纳米晶粉末，用ＴＧ、ＤＴＡ、ＸＲＤ、ＩＲ进行了表征，确证复合氧化物Ｌａ_（１－_ｘ）Ｓｒ_ｘＦｅＯ_３为钙钛矿型结构，粒径在１０～２５ｎｍ之间。实验结果表明，随着固相反应条件不同，产物粒径呈规律性变化．气敏特性研究表明，该纳米晶材料对乙醇有较高的选择性和灵敏度，其选择性顺序为Ｌａ_（０．９）Ｓｒ_（０．１）ＦｅＯ_３＞ＬａＦｅＯ_３＞ＬａＦｅＯ_３（大晶粒）。     

Bifunctional catalysis of Mo/HZSM-5 in the dehydroaromatization of methane with CO/CO2 to benzene and naphthalene

The catalytic dehydrocondensation of methane to aromatics such as benzene and naphthalene was studied on the Mo carbide catalysts supported on micro- and mesoporous materials such as HZSM-5 (0.6 nm) and FSM-16 (2.7 nm). The Mo catalysts supported on H-ZSM-5 having appropriate micropores (0.6 nm size) and Si/Al ratios (20-70) exhibit higher yields (90-150 nmol/g-cat/s) and selectivities (higher than 74% on the carbon basis) in methane conversion to aromatic products such as benzene and naphthalene at 973 K and 1 atm, although they are drastically deactivated because of substantial coke formation. It was demonstrated that the CO/CO₂ addition to methane effectively improves the catalyst performance by keeping a higher methane conversion and selectivities of benzene formation in the prolonged time-on-stream. The oxygen derived from CO and CO₂ dissociation suppresses polycondensation of aromatic products and coke formation in the course of methane conversion. XAFS and TG/DTA/mass-spectrometric studies reveal that the zeolite-supported Mo oxide is endothermally converted under the action of methane around 955 K to nanosized particles of molybdenum carbide (Mo₂C) (Mo-C, coordination number = 1,R- 2.09 å; Mo-Mo, coordination number = 2.3–3.5;R = 2.98 å). The SEM pictures showed that the nanostructured Mo carbide particles are highly dispersed on and inside the HZSM-5 crystals. On the other hand, it was demonstrated by IR measurements of pyridine adsorption that the Mo/HZSM-5 catalysts having the optimum SiO₂/Al₂O₃ ratios around 40 show the maximum Brönsted acidity among the catalysts with the SiO₂/Al₂O₃ ratios of 20–1900. There is a close correlation between the activity of benzene formation in the methane aromatization and the Brönsted acidity of HZSM-5 due to the bifunctional catalysis.     

关于冷原子吸收法测定尿汞影响因素探讨

介绍了对尿汞快速测定法的改进，用消泡剂磷三丁酸消除尿中泡沫，并讨论了尿汞测定的最佳条件，本法的相对标准偏差为４．８－９．０％，回收率９４－１０１％。     

一些烷氯代烃标准蒸发焓的测定

在进行有机氯化物分子内非键合相互作用的热化学研究中, 为了排除分子间的相互作用, 需要准确的标准蒸发焓或升华焓, 以便把凝聚态的标准生成焓转变为气态的数据。文献中多氯代烷烃的蒸发焓数据不多, 其中由直接量热法得到的准确数据更少, 因此我们测量了一些多氯代烷烃的标准蒸发焓, 并对其规律作了一些探讨。     

三核簇合物(Et4N)2[(CO)4MoS2MoS2Mo(CO)4]和(Et4N)2[(CO)4MoS2WS2Mo(CO)4]的合成及晶体结构

合成了含Mo(0)的三核化合物(Et₄N)₂[(CO)₄Mo(μ-S)₂Mo(μ-S)₂Mo(CO)₄](Ⅰ)和(Et₄N)₂[(CO)₄Mo(μ-S)₂W(μ-S)₂Mo(CO)₄](Ⅱ),测定了(Ⅰ)的晶体结构.Ⅰ属单斜晶系,空间群P2相似文献   

Lignanoids and Diterpenoids from Callicarpa furfuraceae

The three new lignanoids 1 – 3 and the five new phyllocladane diterpenoids 7 – 11 were isolated from the leaves of Callicarpa furfuraceae, together with two known lignanoids, lariciresinol ( 4 ) and (+)‐sesamin ( 5 ), and five known diterpenoids, 17‐norphyllocladane‐3,16‐dion ( 6 ), calliterpenone ( 12 ), calliterpenone 17‐acetate ( 13 ), (3β,16α)‐phyllocladane‐3,16,17‐triol ( 14 ), and (3β,16α)‐phyllocladane‐3,16,17‐triol 17‐acetate ( 15 ). Their structures were established by spectral‐data interpretation.     

Effect of diluting agent on sensitivity in capillary electrophoresis with amperometric detection

Besides the running buffer, pH of buffer, separation voltage and sampling time, the diluting agent was studied in this paper as one of the important factors influencing the sensitivity in capillary electrophoresis (CE) with amperometric detection (AD) when electrokinectic sampling was used. Clonidine hydrochloride, hydrochlorothiazide and rutin, which are positively charged, neutral and negatively charged, respectively, in aqueous solutions, could be perfectly separated by CE with 25 mmol x L(-1) Na(2)B(4)O(7) - 50 mmol x L(-1) NaH(2)PO(4) as running buffer and detected by measuring their current responses with AD. Before CE running, some kinds of diluents including water, methanol, formamide, running buffer, hydrochloric acid and sodium hydroxide were, respectively, applied to dilute the stock solutions of above three analytes and their effects on the sensitivity of CE-AD were investigated. The results showed that for electrokinetic injection, the current responses of these three analytes were greatly affected in different ways when different diluting agents were used. This method was applied to simultaneously determine the active ingredients in one Chinese compound hypotensor named Zhen Ju Jiang Ya Pian, in which the contents of clonidine hydrochloride, hydrochlorothiazide and rutin is very different as 0.03 mg : 5 mg : 20 mg per tablet, and satisfactory results were obtained by adjusting their sensitivity by selecting the suitable diluting agent.     

Study of a mathematical model of metal ion complexes in solvent sublation

Separation of metal ion complex, [(C(12)H(8)N(2))(3)Fe(2+)], with surfactant sodium dodecylphrate (DLS) complex from aqueous phase was carried out by solvent sublation, which obeys first-order kinetics. On the base of the complete transport mechanisms, the Langmuir adsorption, and the ion complex equilibrium in the aqueous phase, a mathematical model for the [(C(12)H(8)N(2))(3)Fe(2+)]-surfactant ion complex is obtained with the aid of the Mathematic 4.0 program, 4th Runge-Kutta method, and the Matlab programs. The effects of many parameters, such as K(a), K(l), K(ow), d(i), V(o), V(w), and Q(a), on solvent sublation are investigated. Furthermore, the simulation showed that the model is substantiated for experiments on the solvent sublation of the complex.