A graph-theoretic approach to modeling metabolic pathways

Summary The metabolic pathways of medazepam, oxazepam, and diazepam were modeled using graph-theoretic transforms which are incorporable into computer-assisted metabolic analysis programs. The information, represented in the form of a graph-theoretic transform kit, which was obtained from these pathways was then used to predict the metabolites of other benzodiazepine compounds. The transform kits gave statistically significant predictions with respect to a statistical method for evaluating the performance of the transform kits.     

光辅助超高真空CVD系统制备SiGe异质结双极晶体管研究

介绍了采用紫外光化学汽相淀积(UVCVD)、超高真空化学汽相淀积(UHVCVD)和超低压化学汽相淀积(ULPCVD)技术研制的化学汽相淀积(CVD)工艺系统,简称U³CVD系统.应用该系统,在450℃低温和10^-7Pa超高真空环境下研制出了硅锗(SiGe)材料和硅锗异质结双极晶体管(SiGe HBT)材料.实验表明,该系统制备的SiGe HBT材料性能良好.     

Making equation of state models predictive: Part 2: An improved PCP-SAFT equation of state

We use the PCP-SAFT equation of state, which is of the Van der Waals type and has a sound physical basis, to predict mixture properties, such as vapor–liquid and liquid–liquid equilibria, as well as excess enthalpies. We use molecular properties, such as dipole moment, quadrupole moment, polarizability and dispersion interaction coefficients, that have been determined quantum mechanically in Part I of this publication and adjust the remaining three pure compound parameters to pure compound data. We finally present a new combination rule for the dispersion energy parameter ? that is based on the quantum mechanically determined data. The predictions based on quantum mechanically determined pure compound properties along with the new combination rule show an improved performance compared to the original PCP-SAFT combination rule.     

Study of the spontaneous formation of organic layers on carbon and metal surfaces from diazonium salts

This study investigates the spontaneous grafting of different para-substituted phenyl groups on carbon and metallic surfaces from diazonium salts solutions. Glassy carbon, nickel, zinc and iron plates were allowed to react with an acetonitrile solution of aryldiazonium tetrafluoroborate salt by simple dipping. The surfaces were characterized before and after their immersion by XPS and AFM to evidence the formation of a coating on the different materials. The results are indicative of the presence of substituted phenyl groups on all the investigated surfaces. This study also aims at correlating grafting efficiency with metal reactivities and diazonium salt electronic properties by means of AFM and FT-IRRAS. For this purpose, zinc and nickel were chosen due to their opposite reducing properties and two diazonium salts were selected with electron-donor or -withdrawing para-substituents. The results tend to indicate that redox properties of both partners (diazonium + metal) are of prime importance for grafting to occur.     

脑细胞激活素药物的化学成分分析

采用日本岛津LC-60A型高压液相色谱仪和美国P-E3030型原子吸收分光光度计，对该药进行了氨基酸、维生素和化学元素的含量测定。结果表明，该药含有18种氨基酸，不少于3种维生素和20几种化学元素，为进一步改进该药物的合理配制方法和临床应用提供了参考数据。     

Corrections of proofs for Hansen and Mélot's two theorems

The Randi? index R(G) of a (chemical) graph G is also called connectivity index. Hansen and Mélot [Variable neighborhood search for extremal graphs 6: analyzing bounds for the connectivity index, J. Chem. Inf. Comput. Sci. 43 (2003) 1-14] in their paper, characterized the chemical trees of given order and number of pendent vertices which have the minimum and maximum Randi? index, respectively. In this note, we point out the mistakes in the proofs of their results Theorems 8 and 10, while we still believe that the two theorems are true, and then we give their corrected proofs.     

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用高密度等离子体模型可以计算出一整套输运参数,并且在很宽的等离子体温度和密度范围内有合理的精度,可广泛应用于Z箍缩等离子体、激光聚变和磁约束聚变等领域,并将这个模型计算出的各种输运参数拟合成了实用的公式。     

离子束引起的在Al／Cr双层薄膜界面处的原子混合

用600keV的Kr~ 离子轰击Al/Cr双层薄膜样品进行界面原子反应及相互混合的研究。实验样品是在单晶硅上蒸镀约500nm厚的铝膜,相继再蒸上所需厚度的铬膜而制成的。轰击剂量为2.0×10~(15)-2.5×10~(16)Kr~ /cm~2。用2.0MeVa粒子对轰击前后的样品进行了卢瑟福背散射(RBS)分析,发现界面处有明显的原子混合存在;当轰击剂量≥1.0×10~(16)Kr~ /cm~2时,RBS谱出现有明显的坪台,经拟合计算和x射线衍射(XRD)测量证实确有化合物Al_(13)Cr_2存在;还分别得到了原子混合量及混合效率与轰击剂量的关系;最后对界面处的原子混合机制进行了讨论。