上转换发光量子点

光子上转换是一种重要的非线性反斯托克斯发光现象,在激光、显示、光伏、信息安全以及生物成像与诊疗等领域具有应用前景.与研究较多的有机分子三重态-三重态湮灭和稀土掺杂纳米颗粒上转换发光材料相比,上转换量子点可以在宽光谱激发范围内实现上转换发光,具有频谱吸收宽、发光效率高、近红外可吸收、能带可调、尺寸小以及稳定性高等特点,引...     

酰肼类抗结核病药物的3D-QSAR研究

采用三维全息原子场作用矢量(3D-HoVAIF)对115个酰肼类抗结核病药物进行定量构效关系(QSAR)研究.运用多元线性回归(MLR)和偏最小二乘回归(PLS)建模,同时采用内部及外部双重验证的办法对所得模型稳定性能进行了深入分析和检验.MLR建模和PLS建模的复相关系数(R2cum)、留一法交互校验复相关系数(Q2LOO)以及外部样本校验复相关系数(Q2ext)分别为0.766、0.663、0.748和0.733、0.614、0.715.结果表明,3D-HoVAIF能较好表征抗结核药物分子结构信息,所建QSAR模型具有良好稳定性和预测能力,为抗结核病药物的研发提供一定的理论基础.     

A new cell for X-ray absorption spectroscopy study under high pressure

X-ray absorption fine structure (XAFS) spectroscopy is a powerful technique for the investigation of the local environment around selected atoms in condensed matter. XAFS under pressure is an important method for the synchrotron source. We design a cell for a high pressure XAFS experiment. Sintered boron carbide is used as the anvils of this high pressure cell in order to obtain a full XAFS spectrum free from diffraction peaks. In addition, a hydraulic pump was adopted to make in-suit pressure modulation. High quality XAFS spectra of ZrH2 under high pressure (up to 13 Gpa) were obtained by this cell.     

极区夏季中层顶区域尘埃粒子参数的研究

采用轨道受限运动方法研究了极区夏季中层顶区域的尘埃粒子电荷数与尘埃粒子半径。利用尘埃等离子体充电理论,建立了尘埃粒子充电方程模型,得到尘埃粒子充电时尘埃电荷数和半径的比值。然后结合ECT02实验数据,分析了发生极区中层夏季回波现象时极区中层顶区域尘埃粒子电荷数和半径的比值,并得到尘埃粒子的半径以及尘埃粒子所带电荷量。结果表明,极区中层顶区域的尘埃粒子平均所带电荷不到一个,它的半径约为20nm。     

Internal cancellation of spikes using two avalanche photodiodes in series for single photon detection

<正>We propose a method of improving the performance of InGaAs/InP avalanche photodiodes by using two avalanche photodiodes in series as single photon detectors for 1550-nm wavelength.In this method,the raw single photon avalanche signals are not attenuated,thus a high signal-to-noise ratio can be obtained compared with the existing results.The performance of the scheme is investigated and the ratio of the dark count rate to the detection efficiency is obtained to be 1.3×10~(-4) at 213 K.     

碳纤维增强铜基复合材料自润滑轴承的设计准则

根据均匀设计原理,对碳纤维增强铜基复合材料的磨损试验参数予以科学排列,不仅减少了试验次数,而且提高了试验数据统计结果的可靠性,同时,引入可靠性技术,建立了自润滑轴承在不同临界磨损率下材料的可靠度-压强-速度曲线及其计算方法,为碳纤维增强铜基复合材料自润滑轴承的设计提供依据。     

多媒体化学教科书系统《化学元素周期系》

戴安邦老师离开我们已经一年了 ,给我们留下了无限的哀思。戴老师在生前最重视基础课教学 ,他领衔四教授专著的教科书《无机化学教程》 ,为我国化学教育和无机化学的发展奠定了先期基础。他老人家长期担任基础课教学 ,重视课堂直观教学效果 ,重视有效教学辅助手段上课堂 ,教学效果优异 ,永远垂范后人 ,我们无限怀念他老人家。际此新的一轮教学改革高潮的来临 ,我们把戴老师留传给我们的丰富辅助教学手段集中表达在多媒体投影屏幕上 ,藉此增强教学效果 ,作为我们纪念戴老师丰功伟业的实际行动 ,把他遗留下来的教学经验永远延续推广。我们南开大学无机化学学科的部分师生 ,从 1 996年开始学习多媒体计算机技术 ,并萌发了创新思想 ,用三年时间 ,完成了一套多媒体化学教科书软件《化学元素周期系》 ,两张光盘 ,已由高等教育出版社出版。并获得教育部第二届全国高校优秀教学软件一等奖。教育部高教司在 1 999年 8月组织专家进行鉴定验收 ,鉴定结论是 :“《化学元素周期系》教科书软件的成果 ,是我国化学教学手段和教学方法的一项重大改革成就 ,属国内领先 ,达到了国际先进水平”。现将该项教学研究成果汇总成文 ,借以纪念我们尊敬的戴安邦老师     

Inorganic Photochemistry:Past,Present, and Future

Transition metal complex, in its electronic excited state, has intriguing photophysical and photochemical properties that are substantially different from its ground state, Indeed, electronically excited metal complex can be viewed as hot chemical species that is readily synthesized by photo-excitation with UV-visible light. If the energy of excited metal complex can be properly manipulated, it may be possible to devise new catalytic system for converting light to chemical energy. In the context of energy conversion reactions and chemical sensing, it is important for biomolecular reactions at room temperature. Among the photochemical bimolecular reactions, the following three have the widest applications in photocatalysis, and these are (1) bimolecular outer-sphere electron transfer reactions, (2) bimoleculat inner-sphere atom transfer/abstract reactions, and (3) exciplex formation involving electronic excited state. The past of inorganic photochemistry has demonstrated the success of[Ru(bpy)₃]²⁺ as a powerful reagent for light-induced electron transfer reactions. Much of the current photochemistry research focus on coordinative unsaturated metal complexes, that are strongly photoluminescent and readily undergo substrate binding reactions in their excited states. In this lecture, I will review some of the past successful stories of[Ru(bpy)₃]²⁺ and discuss our current research on the luminescent metal-complexes prepared in my laboratory. I will end my lecture by proposing a clue for achieving light-induced multi-electron transfer reactions, which remains a challenge in photochemistry research.     

纳米SiO2表面上的聚对苯二甲酸丁二醇酯预聚物接枝改性

纳米SiO2表面上的聚对苯二甲酸丁二醇酯预聚物接枝改性;纳米粒子; 表面改性;接枝; 聚对苯二甲酸丁二醇酯     

Design of quantum VQ iteration and quantum VQ encoding algorithm taking O（√N） steps for data compression

Vector quantization (VQ) is an important data compression method. The key of the encoding of VQ is to find the closest vector among N vectors for a feature vector. Many classical linear search algorithms take $O(N)$ steps of distance computing between two vectors. The quantum VQ iteration and corresponding quantum VQ encoding algorithm that takes $O(\sqrt N )$ steps are presented in this paper. The unitary operation of distance computing can be performed on a number of vectors simultaneously because the quantum state exists in a superposition of states. The quantum VQ iteration comprises three oracles, by contrast many quantum algorithms have only one oracle, such as Shor's factorization algorithm and Grover's algorithm. Entanglement state is generated and used, by contrast the state in Grover's algorithm is not an entanglement state. The quantum VQ iteration is a rotation over subspace, by contrast the Grover iteration is a rotation over global space. The quantum VQ iteration extends the Grover iteration to the more complex search that requires more oracles. The method of the quantum VQ iteration is universal.