阿普唑仑的波谱学数据和结构确证

阿普唑仑是一种临床上广泛应用的具有抗抑郁作用的药物. 本文对阿普唑仑进行了¹H、¹³C NMR检测,通过DEPT和¹H-¹H COSY、¹³C-¹H HSQC、¹³C-¹H HMBC等2D NMR技术对该化合物的¹H、¹³C NMR谱的信号进行了全归属,通过量子化学计算和NMR数据证实了化合物中亚甲基上2个氢的磁不等价性. 讨论了红外吸收光谱的特征峰,并对阿普唑仑的TOF MS的裂解途径进行了分析.      

Ground-State Properties ,of C, O, and Ne Isotopes in Hartree——Fock-Bogoliubov Calculation with Gogny Interaction

Ground-state properties of C, O, and Ne isotopes are described in the framework of Hartree-Fock-Bogoliubov theory with density-dependent finite-range Gogny interaction D1S. We include all the contributions to the Hartree-Fock and pairing feld arising from Gogny and Coulomb interaction as well as the center of mass correction in the numerical calcu/ations. These ground-state properties of C, O, and Ne isotopes are compared with available experimental results, Hartree-Fock plus BCS, shell model and relativistic Hartree--Bogoliubov calculations. The agreement between experiments and our theoretical results is pretty well. The predicted drip-line is dependent strongly on the model and effective interaction due to their sensitivity to various theoretical details. The calculations predict no evidence for halo structure predicted for C,O, and Ne isotopes in a previous RHB study.     

润滑油对超临界压力CO_2对流换热特性影响

本文对含有少量润滑油对冷却条件下水平细圆管中超临界压力二氧化碳的对流换热特性进行了实验研究,并与相应不含润滑油的工况及已有经验关联式进行对比。实验结果表明,润滑油会使冷却工况下超临界压力二氧化碳的对流换热恶化,尤其是二氧化碳温度在准临界温度附近时,恶化现象更显著。本文提出了用于计算含润滑油时冷却工况下超临界压力二氧化碳对流换热的经验关联式,其计算结果与90%以上实验数据的偏差在25%以内。     

2×2列联表中二属性相关的Bayes检验

2×2列联表中二属性相关的假设检验是定性数据分析中的热点问题,针对此问题的研究频率学派已做过大量的工作,其理论方法已趋于成熟.利用Bayes检验研究2×2列联表中二属性的相关性迄今为止国内外的相关文献还为数不多.将依据Bayes理论对此问题提出新的检验方法,推出其Bayes因子计算公式,利用正态近似研究三项假设计算出有关的后验概率,不仅解决了频率学派难以处理的问题,并且为吸烟有害健康提供了理论支撑.     

COSmθ磁探圈的研制及其在HT-6上的应用

一、引言 观测托卡马克装置中等离子体引起的极向磁场扰动,通常把测得的磁扰动信号用电子学线路进行模拟量处理或计算机系统作数字量处理,如相关分析,空间付利叶分析等,以辨别各种扰动模式及其随时间的演化。用这些方法监测放电准稳阶段的磁流体扰动,已属常     

An efficient algorithm for Bermudan barrier option pricing

An efficient option pricing method based on Fourier-cosine expansions was presented by Fang and Oosterlee for European options in 2008,and later,this method was also used by them to price early-exercis...     

The Effect of the Electron-Phonon Interaction on Giant Magnetoresistance in Magnetic Multilayers

We built electron and phonon free energies and attempted to investigate the effect of the electron-phonon interaction on giant magnetoresistance in magnetic multilayers. Starting from a jellium-like model, we found that the electron-phonon interaction can have an important effect on the spin splitting of electronic energy band. The expression of giant magnetoresistance has been obtained by considering the spin splitting of electronic energy band,indicating that the effect of phonon could not be neglected. Numerical calculations using our approach demonstrate the agreement between experimental and theoretical values.     

Hopf π-子模

设H为有限型Hopfπ-代数,研究Hopfπ-代数H上的Hopfπ-模与Hopf π-余代数H *上的Hopfπ-余模之间的对偶关系,得出了Hopfπ-子模与Hopfπ-子 余模之间的充分必要条件,推广了Hopf代数中的相关结论.     

基于太赫兹技术的药物检测

鉴于太赫兹辐射特有的光谱分辨性、功能性成像特点以及良好的穿透性和安全性等,太赫兹波谱技术迅速成为物质分析与检测等的重要工具。文章基于太赫兹时域光谱技术的实验数据,结合泛函密度理论(DFT)和HIPHOP模型,对一系列降糖类药物进行分子解析和功能基团识别;结合支持向量机理论(SVM),对4种郁金类中草药进行分析识别;并结合差式扫描量热法对葡萄糖—水合物的结晶水状态进行测定;最后对太赫兹时域技术在药物检测方面的优势和不足做了进一步的分析与展望。     

二维双流不稳定性静电粒子模拟

为研究双温电子等离子体中束流不稳定性的演化过程,用二维粒子模拟(PIC)代码对双温电子束流不稳定性进行了模拟,其中泊松方程用松弛迭代法求解,代码满足电荷守恒、动量守恒和能量守恒条件。在电子双流不稳定性的非线性演化过程中,得到相空间的空洞结构,实空间也相应出现了电子空洞。给出了不稳定性增长率以及相应色散关系。