2-（4-叔丁基苯氧甲基）-3-喹啉酸的闭环和去叔丁基反应

2-（4-叔丁基苯氧甲基）-3-喹啉酸（1a—1d）,在多聚磷酸（PPA）的作用下发生分子内的闭环反应和脱叔丁基反应,得到了不含有叔丁基的苯并杂卓并喹啉酮化合物（2a-2c）。它们的结构通过红外光谱、核磁共振氢谱、质谱和元素分析得以证实。     

斑马鱼胚胎在电离辐射生物学研究中的应用

斑马鱼胚胎最初为研究发育生物学与分子遗传学的重要模式动物,20 世纪90 年代关于斑马鱼胚胎研究的文章每年不足100 篇,到本世纪初期已上升到每年1 000 余篇,目前这个数字正呈指数增长,斑马鱼胚胎的研究范围与应用价值正也随之逐步提升。该文综述了斑马鱼胚胎在电离辐射研究领域中的应用,包括电离辐射诱导斑马鱼的毒性作用、电离辐射引起的DNA损伤及其信号转导机制,以及利用斑马鱼对辐射防护剂与增敏剂进行评价。在此基础上还特别介绍了中国科学院近代物理研究所利用斑马鱼胚胎在放射生物学研究上取得的进展,其中包括一种具有物理激发、化学刺激作用的线粒体内活性氧(ROS) 诱导剂,在非条件刺激下利用斑马鱼检测该物质的毒性,发现6 10 μL/mL 的该物质无胚胎发育毒性,然而,在一定波长的光刺激下可造成DNA双链断裂,在理论上是一种潜在的辐射增敏剂。Zebrafish embryo is a classic animal model to study developmental and molecular biology. The relatedworks using zebrafish embryo arise from less than 100 papers per year in 90 s to more than 1 000 papers per year at the beginning of 21st century. The research scope and application value of zebrafish embryo in biology studies are gradually extending, along with the exponential increase of related papers. Here, the applications of zebrafish embryo in the field of radiation biology are reviewed, including radiation-induced toxicity, signal transduction in response to radiation-induced DNA damage, and the assessment of radio-protection and radiosensitizers, respectively. The progress in radiation biology employing zebrafish embryo in Institute of Modern Physics has also been reported, includinga novel mitochondrial reactive oxygen species inducer, which can be triggered by exogenous physical signal and exert chemical stimulation. This inducer shows no obvious embryo toxicity to zebrafish under 10 μL/mL. It can induce DNA double strand breaks if activated by certain wavelength of lights. Itisa potential radiosensitizerin theory.     

卟啉酞菁模型化合物光致电子转移研究

本文采用时间相关单光子计数对卟啉酞菁ＴＴＰ－（ＣＨ２）ｎ－Ｐｃ模型化合物的光致电子转移进行了研究，发现激发Ｐｃ时，呈现单指数衰减，ｎ＝４时电子转移速率减小，活化能，重排能增加，电子转移效率下降，电子转移反应△ＧＣＳ与电荷分离活化络合物衰变速率ＫＣＴ，按以下规律：△Ｇ＾（５）ＣＳ〉△＾（３）ＣＳ〉△＾（４）ＣＳ〉△＾（２）ＣＳ，ｋ＾（２）ＣＳ〉ｋ＾（３）ＣＳ〉ｋ＾（４）ＣＳ〉ｋ＾（５）ｃｓ。其△Ｇ＾     

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.     

大尺寸HVPE反应器寄生沉积的数值模拟研究

在氢化物气相外延(HVPE)生长GaN厚膜中,反应腔壁面总会产生大量的寄生沉积,严重影响薄膜生长速率及质量.本文针对自制的大尺寸垂直式HVPE反应器,通过数值模拟与实验对比,研究了反应腔壁面沉积以及GaN生长速率的分布规律,特别是寄生沉积分布与载气流量的关系.研究发现:在基准条件下,顶壁寄生沉积速率由中心向边缘逐渐降低,与实验结果吻合;侧壁沉积出现8个高寄生沉积区域,对应喷头边缘处排布的GaCl管,说明沉积主要取决于GaCl的浓度输运;模拟得出的石墨托表面生长速率低于实验速率,但趋势一致.保持其他条件不变,增大NH3管载气N2流量,顶壁和侧壁的寄生沉积速率及分布区域均随之增大,石墨托表面生长速率随之减小而均匀性却随之提高;增大GaCl管载气N2流量,顶壁和侧壁的寄生沉积速率及分布区域均随之减小,石墨托表面生长速率随之增大而均匀性却随之降低.研究结果为大尺寸HVPE反应器生长GaN的工艺优化提供了理论依据.     

X射线辐照引起的线粒体D310片段突变的快速检测

采用4 Gy X射线辐照人乳腺癌细胞MCF 7, 分别在照射后0, 2, 4, 8, 16, 24, 48, 72和144 h时间点收集细胞, 提取DNA并以聚合酶链式反应进行扩增, 再以BsaXI限制性内切酶对扩增产物进行消化, 消化产物以琼脂糖凝胶电泳进行分离。 结果表明, 4 Gy X射线辐照可引起D310片段突变, 且该突变在经辐照之后144 h检测水平明显超过野生型。 Human breast cancer cell line MCF 7 was irradiated with 4 Gy X ray, collected at 0, 2, 4, 8, 16, 24, 48, 72, 144 h after irradiation, respectively. Whole genome DNA including mtDNA were extracted at each time point, and amplified by polymerase chain reaction(PCR). Then the PCR product was subjected to BSAXI digestion, all of digestion product then underwent a brief electrophoresis. Results showed D310 mutation can be induced by 4 Gy X ray irradiation and D310 mutation can overwhelm the normal phenotype 144 h after irradiation.     

电离辐射引起的线粒体DNA损伤及突变研究进展

指出了线粒体DNA损伤及突变研究与核DNA相关研究的区别,并总结了国内外关于电离辐射引起线粒体DNA损伤突变的研究进展。 针对放射生物学中线粒体学方面研究还有待进一步加强的现状, 中国科学院近代物理研究所的研究人员在方法学上建立起了real-time PCR和long PCR等手段对线粒体DNA损伤及突变进行定量检测, 并以此为基础, 对电离辐射引起的线粒体功能变化进行了较为深入的研究。总结了线粒体DNA损伤及突变研究对阐明电离辐射引起的生物学效应所具有的贡献, 提出未来在放射生物学中以远后效应, 能量代谢为主的线粒体学研究方向。 Current advance in ionizing radiation induced mitochondrial DNA damage and mutations is reviewed, in addition with the essential differences between mtDNA and nDNA damage and mutations. To extent the knowledge about radiation induced mitochondrial alterations, the researchers in Institute of Modern Physics, Chinese Academy of Sciences developed some technics such as real time PCR, long PCR for accurate quantification of radiation induced damage and mutations, and in depth investigation about the functional changes of mitochondria based on mtDNA damage and mutations were also carried out. In conclusion, the important role of mitochondrial study in radiation biology is underlined, and further study on mitochondrial study associated with late effect and metabolism changes in radiation biology is pointed out.     

Reaction Subdiffusion with Random Waiting Time Depending on the Preceding Jump Length

To describe the energy-dependent characteristics of the reaction-subdiffusion process, we analyze the simple reaction A→B under subdiffsion with waiting time depending on the preceding jump length, and derive the corresponding master equations in the Fourier–Laplace space for the distribution of A and B particles in a continuous time random walk scheme. Moreover, the generalizations of the reaction-diffusion equation for the Gaussian jump length with the probability density function of waiting time being quadratically dependent on the preceding jump length are obtained by applying the derived master equations.     

First principles study of ceramic materials (IVB group carbides) under ultrafast laser irradiation

Group IVB carbides have been applied in extreme aerospace environments as hard ceramic coatings; ZrC is being considered as a replacement for SiC in nuclear reactors. Therefore, a thorough understanding of the laser irradiation response of group IVB carbides is of clear significance. However, the existing knowledge on the fundamental properties of IVB group carbides is limited and insufficient with regard to both irradiated and non-irradiated characteristics. We investigate the effect of ultrafast laser irradiation on the lattice stability of ceramic materials(IVB group carbides) using the density functional perturbation theory(DFPT). The calculated phonon frequencies of TiC and ZrC at the ground state are in good agreement with previous calculations and experimental values. The phonon frequencies of IVB group carbides are positive, even though the electronic temperature reached 5 eV. Thus, IVB group carbides are more stable under ultrafast laser irradiation, which has greater benefits in nuclear and aeronautical applications compared to metals(W,Na), semimetals(Bi),and semiconductors(Si,SiC). The thermodynamic properties of ZrC are calculated as functions of their lattice temperature at different electronic temperatures. The elastic shear constants of IVB group carbides satisfy the Born stability criteria at Te = 5 eV. In addition, a comparison of the predicted melting temperatures of IVB group carbides, reveal that HfC is better suited for extreme high-temperature environments.