Vibrational Spectroscopic Investigation and Theoretical Calculations of (E)-3-Phenyl-N-[4-(Phenyl-Amino) Quinazoline-7-yl] Acrylamide

ABSTRACT

Optimized geometrical structure and harmonic vibration frequencies of prior synthesized (E)-3-phenyl-N-[4-(phenyl-amino) quinazoline-7-yl] acrylamide were computed by ab initio HF and DFT/B3LYP methods using both 6-31G* and 6-311G** basis sets and the Moller–Plesset second-order perturbation (MP2) method merely at the 6-31G* level. The infrared (IR) spectrum of the title compound has been measured in the range of 400–4000 cm^?1. Complete vibrational assignments of the IR spectra were proposed. Moreover, the calculated wavenumbers of the title compound were compared with the experimental data. The correlation analyses indicate that good linearity relationships exist between the scaled theoretical vibration frequencies and the experimental values. Additionally, the atoms in molecules (AIM) method was applied to explore the possible intramolecular interactions in the title compound.     

Radiation-induced changes in electrical conductivity and structure of BaPbO3 after γ-irradiation

Several barium plumbate (BaPbO₃) solid samples, made from PbO and BaCO₃ powder by chemistry liquid-phase coprecipitation, were investigated before and after γ-irradiation. The solid samples were irradiated by a ⁶⁰Co γ-irradiation source whose dose rate is about 0.7?kGy per hour. The irradiation times were 0, 72, 144, 216, 288 and 360?h. Then, the four-probe method, X-ray diffraction (XRD), scanning electron microscope (SEM) and X-ray photoelectron spectroscopy (XPS) were used to indicate the changes in electrical conductivity and microstructure of BaPbO₃ after γ-irradiation. The XRD results indicated that the content of PbO was reduced as the irradiation dose was increased and eventually vanished from the surface of samples. However, there was no new obvious substance phase found from the XRD atlas. It seems that the PbO transformed into nearly amorphous Pb₅O₈. The conjecture could be proved by the results of annealing experiment and SEM. The XPS results seem to show that the microstructure of BaPbO₃ was slightly changed.     

An exponent bound on skew Hadamard abelian difference sets

A difference setD in a groupG is called a skew Hadamard difference set (or an antisymmetric difference set) if and only ifG is the disjoint union ofD, D(^–1), and {1}, whereD(^–1)={d^–1|dD}. In this note, we obtain an exponent bound for non-elementary abelian groupG which admits a skew Hadamard difference set. This improves the bound obtained previously by Johnsen, Camion and Mann.     

灵芝酸A对人肝癌细胞的辐射增敏效应的初步研究

本研究旨在初步探讨灵芝酸A(GAA)对人肝癌细胞系HepG2在高LET中子和低LET的γ射线条件下的辐射敏感性的影响及差异。研究中,我们用CCK-8方法检测不同浓度GAA对HepG2增殖抑制作用。选取低浓度(5μmol/L)GAA预处理细胞24 h,分别给予不同剂量的中子辐照或γ射线辐照,分别检测克隆存活率、细胞凋亡和γH2AX蛋白的foci的形成。结果表明:在不加GAA的情况下,高LET中子辐射比低LET的γ射线对细胞产生的凋亡比例高;在添加了GAA后,与未加GAA对照组相比,诱导细胞凋亡的比例明显增加;另外,加GAA处理后,细胞增殖抑制率也随着辐照剂量的增加而增高。即GAA能增加HepG2细胞的辐射敏感性,而在同样GAA剂量下,HepG2细胞对高LET中子辐射比低LET的γ射线更敏感。由此,这项研究说明灵芝酸或可开发成为一种天然辐射增敏剂,从而为癌症特别是肝癌的放疗提供新的辅助治疗方法。     

用刚体理论分析烟囱倒下的断点位置

烟囱倾倒的过程中将会在某处发生断裂.通过刚体理论知识,采用圆台模型分析了烟囱倾倒过程中的动力学过程,通过理论推导找到极值点,理论上推断出烟囱断裂的位置.     

大鼠脑缺血再灌注后运动皮质细胞凋亡的体视学观察

用体视学方法分析大鼠脑缺血再灌注后大脑运动皮质细胞的凋亡情况。随机将24只SD大鼠分为缺血再灌注后6、12、24 h和对照组。采用结扎大鼠左侧颈总动脉和夹闭右侧颈总动脉15m in后放开的方法制备大鼠脑缺血再灌注模型。应用Hoechst33258荧光染色及免疫组化Bax蛋白表达来检测细     

通过平均场处理的严格重正化群变换方法对Potts模型的应用

本文运用作者所发展的严格docimation- 平均场近似方法对Potts 模型的临界指数作了计算.所得结果与严格解符合得很好, 而与计算工作量相当的重正化群方法相比, 精确度大为提高。 关键词：     

光学元件群延迟的直接测量

提出了一种测量群延迟的新方法,利用白光干涉仪产生的光谱干涉,通过时间频率联合分析直接得出群延迟,减小了传统相位差分方法产生的误差,并通过测量结果减去系统背景,进一步提高了光学元件色散测量的准确度. 该方法适合于具有复杂色散光学元件群延迟和色散的准确测量,也适合于慢光器件群速度延迟的测量. 关键词： 色散测量 白光干涉 时间频率分析 超快激光     

BEPC中电子云导致的束团横向尺寸增长研究

多束团正电子储存环中可能发生电子云不稳定性. 由于电子云导致的束团横向尺寸增长已经成为提高对撞机对撞亮度的主要限制因素之一. 介绍了在BEPC储存环中, 利用条纹相机直接测量由于电子云导致的束团横向尺寸增长结果, 并与模拟计算进行了比较.     

基于固体腔扫描法布里-珀罗干涉仪的大气温度绝对探测方法研究

大气温度是描述大气状态的重要基本特征参量之一.目前,基于Rayleigh散射的大气温度探测方法多应用于大气温度的相对探测,即温度反演时需要响应函数和校准程序.本文提出了利用固体腔扫描式法布里-珀罗干涉仪进行大气Rayleigh散射谱型的精细探测方法和残余米散射信号的抑制方法.根据Rayleigh散射谱特点,针对固体腔扫描式法布里-珀罗干涉仪的自由光谱区、固体腔几何长度、腔体介质类型、半高全宽、腔体反射率、扫描间隔等参数进行了优化设计.利用优化参数的固体腔扫描式法布里-珀罗干涉仪获取Rayleigh散射谱上离散点信息,并采用多项式插值方法获得拟合谱型,与根据标准大气模型和S6模型获得的理论谱型进行比对,大气温度探测不确定度小于0.8 K.当信噪比为10时,白天与夜晚的探测距离分别为4.5和7.9 km.该方法可实现大气温度廓线的全天时和高精度绝对探测,并对同类高光谱激光雷达分光系统研究具有借鉴意义,为我国高光谱激光雷达陆基及星载应用提供了一套可行的分光系统解决方案.