查尔酮衍生物E-2-(甲氨基)-7-(3-(吡啶基)丙烯酰基)卓酮的合成(英文)

以2-乙酰基-7-(甲氨基)卓酮(1)为原料,经由与各种吡啶醛的Claisen-Schmidt缩合反应得到查尔酮衍生物E-2-(甲氨基)-7-(3-(吡啶基)丙烯酰基)卓酮(2～5).全部合成产物均为新化合物,未见文献报道;其结构均由红外光谱分析、1H核磁共振、质谱及元素分析得以证实.     

An ab initio Study on the Structural and Bonding Properties of Li_2Si_3O_7

A theoretical study on the structural and electronic properties of Li2Si3O7 is performed by using density functional theory(DFT) method.The molecular structure of the crystal and two kinds of [SiO4]-tetrahedra with different number of non-bridging oxygen(Qn) are analyzed.The structure of crystal Li2Si3O7 can be considered as a framework of corner-sharing tetrahedra.From the band structure(BS),total density of state(TDOS) and projected density of state(PDOS) of the crystal,the structures of Q3,Q4,and LiO4 tetrahedra as well as their bonding characters are presented.For lithium trisilicate,we find the bond cation-NBO(nonbridging oxygen and oxygen atoms bonding to one silicon atom only) is stronger than the bond cation-BO(bridging oxygen and oxygen atoms bonding to two silicon atoms).By analyzing the ionicity of two different types of bonds of silicon-oxygen according to the Mulliken population analysis,we also find that the Si-NBO bonds have higher ionicity than Si-BO for crystalline lithium trisilicate,which agrees with other lithium silicates.     

模拟微重力条件下C离子辐射对小鼠生殖器官的影响

探究模拟微重力条件下不同剂量C离子辐射对雄性动物生殖器官的急性影响, 以期了解空间环境辐射所致机体生殖系统的损伤。采用小鼠尾部悬吊模型地面模拟微重力状态1周后, 利用重离子加速器提供的C离子辐照处理, 检测了生殖器官脏器系数及精子密度、组织形态变化、DNA损伤以及细胞凋亡各项指标。结果表明, 微重力和C离子辐射均能引起睾丸损伤, 且1 Gy单纯辐照组中损伤最为严重。此外发现, 模拟微重力能够在一定程度上降低辐射诱导的损伤, 其内在机制有待于进一步的研究。In this paper it was investigated that the effect of modeled microgravity on the acute injury induced by low doses of carbon ions in the male reproductive organs of mice, assessing the risk associated with the space environments. In our study, outbred Kunming mice were stimulated in microgravity by tail suspension, and then were irradiated with the low doses of carbon ions diliuered by HIRFL, and measured the testis and epididymis coefficient, sperm number of epididymis, histological alterations, DNA strand breaks and cell apoptosis. The results demonstrated that carbon ions and stimulated microgravity could induce the damage in the present study. Moreover, most serious injury all occurred in the irradiation group. In addition, it was also found that the damage of the carbon ion irradiation combined microgravity group were lower than those of the irradiation group, while the related mechanism needs the further investigation.     

Spectroscopic investigations on NO+(x1∑+,a3∑+,A1Ⅱ) ion using multi-reference configuration interaction method and correlation-consistent sextuple b

Three low-lying electronic states (x¹∑⁺,a³∑⁺,and A¹Ⅱ) of NO⁺ ion are studied using the complete active space self-consistent-field (CASSCF) method followed by highly accurate valence internally contracted multi-reference configuration interaction (MRCI) approach in combination of the correlation-consistent sextuple basis set augmented with diffuse functions, aug-cc-pV6Z. The potential energy curves (PECs) of the NO⁺(x¹∑⁺,a³∑⁺,A¹Ⅱ) are calculated. Based on the PECs, the spectroscopic parameters R_e, D_e, ω_e, ω_eχ_e, α _e, B_e, and D₀ are reproduced, which are in excellent agreement with the available measurements. By numerically solving the radial Schrödinger equation of nuclear motion using the Numerov method, the first 20 vibrational levels, inertial rotation and centrifugal distortion constants of NO⁺(x¹∑⁺,a³∑⁺,A¹Ⅱ) ion are derived when the rotational quantum number J is equal to zero (J = 0) for the first time, which accord well with the available measurements. Finally, the analytical potential energy functions of these states are fitted, which are used to accurately derive the first 20 classical turning points when J = 0. These results are compared in detail with those of previous investigations reported in the literature.     

光自旋霍尔效应的研究性实验教学

光自旋霍尔效应是由于光子的自旋-轨道相互作用导致自旋相反的光子相互分离的光学效应,极大地丰富了光学研究内涵,成为现代光学的研究前沿和热点.由于光自旋霍尔效应实验与由偏振片、望远镜、显微镜等器件组装的实验相通,因此可以把光自旋霍尔效应的研究成果进行整理,设计制作出适合于本科实验教学的仪器.本文对光自旋霍尔效应的研究进展进行了综述,并介绍了利用所开发的光自旋霍尔效应实验仪可开展的实验类型和进行研究性教学的情况.     

一种合成4-羟基苯并香豆素的简便有效方法（英文）

1-萘酚(1a)或2-萘酚(1b)与米氏酸(2)在无溶剂条件下进行研磨反应,分别得到丙二酸单萘基酯3a和3b。然后在Eaton试剂(五氧化二磷+甲基磺酸)的作用下,反应温度为85℃的条件下,3a和3b发生分子内的环化反应,得到目标化合物4-羟基苯并[h]香豆素(4a)和4-羟基苯并[f]香豆素(4b),其收率分别为78%和75%,其结构均已通过波谱数据和元素分析得以表征确认。     

光纤光栅传感器对钢筋混凝土内部应变的测量及温度效应的研究

本文应用光纤光栅传感器实现了对钢筋混凝土试件内部应变的测量．试验不仅就应用光纤光栅进行混凝土结构内部应变测量的技术、工艺进行研究，还通过设计温度控制试验，考察了光纤光栅传感器的温度补偿问题，以及横向应变对测量结果的影响．     

吡啶高三蝶烯的合成

2-溴-4-甲基吡啶（1）经氯代和碘代反应合成了2-溴-4-碘甲基吡啶（3）,3和蒽酮（4）反应生成10,10-二（2-溴-4-吡啶甲基）-9（10H）蒽酮（5）,5在3 MPa下与NaOCH3反应得到10,10-二（2-甲氧基-4-吡啶甲基）-9（10H）蒽酮（6）,6经硼氢化钠还原得到蒽醇（7）,7在对甲苯磺酸催化...     

A DFT Investigation on the Co-adsorption of H_2 and Ions inside the Carbon Nanotube

We studied the co-adsorption of hydrogen molecule and ions (Li,K,Mg,Ca) inside the single-walled carbon nanotubes (SWNTs) by using density-functional theory (DFT).The band structures (BS),density of states (DOS),charge transfer and difference charge density are presented.We discussed the interaction between the ions (Li,K,Mg,Ca) and H 2.Meanwhile,the binding energy indicates that ionization can increase the adsorption energy of H 2 in CNT.     

五种典型硝基苯胺类炸药的静电势与撞击感度的关系研究

利用HONDO程序包,采用从头算法对硝基苯胺类炸药的分子结构和电偶极矩等性质以及 C-NO2键中点静电势等进行计算,讨论了硝基苯胺类炸药C-NO2键中点静电势最大值Vmidmax与其实验撞击感度之间的关系.研究表明:对于硝基苯胺类炸药,不宜单独用C-NO2键中点静电势最大值Vmidmax来表征撞击感度的变化,但可以用静电势最大值Vmidmax与电偶极矩的积来确定其撞击感度的变化趋势,讨论了硝基和胺基的相对位置以及硝基和胺基的数目对这类炸药感度的影响.