Spectral Characteristics of White Organic Light-emitting Diodes Based on Novel Phosphorescent Sensitizer

采用新型贵金属铱的配合物bis(1,2-dipheny1-1H-benzoimida-zole)iridium (acetylacetonate)作为磷光敏化剂,与荧光染料4-(dicyanomethylene)-2-t-butyl-6-(1,1,7,7-tetramethyljulolidyl-9-en-yl)-4H-pyran共同掺杂到聚合物主体材料poly(N-vinylcarbazole)中,以N,N'-diphenyl-N,N'-bis(1-naphthyl) (1,1'-biphenyl)-4,4'-diami-ne作为蓝光发光层,制备了白色有机电致发光器件. 通过对掺杂体系的紫外-可见吸收光谱、光致发光光谱以及电致发光光谱的表征,分析了该磷光敏化体系的能量转移机制. 结果表明,在该聚合物磷光荧光双掺杂体系中,由于磷光与荧光材料之间的不完全的F?rster能量传递过程,导致电致发光光谱中同时存在磷光材料三线态到基态与荧光材料单线态到基态的辐射衰减发光. 该掺杂体系成功实现了白光发射,随着偏置电压的升高,器件的CIE色坐标有微小的红移,但都非常接近等能白光点,器件表现出了很好的色纯度.     

激光靶心冲击波观测镜折反式光学系统设计

设计了一种激光靶心冲击波观测镜的光学系统.用反射式光学系统代替折射式光学系统,解决了普通玻璃在200 nm端透过率较低的问题.反射镜不引入色差,有利于系统在200~800 nm谱段消色差.为消系统轴外像差,反射系统选型为对称式.反射镜全部采用球面镜,为消反射镜以及平板玻璃窗带入的球差,引入校正镜(材料JGS1),在满足要求的条件下,控制折射镜的厚度,使系统色差满足瑞利判据的色差允差,得到了良好的成像质量.     

双核铜（Ⅱ）-β-丙氨酸缩水杨醛席夫碱配合物与血清蛋白相互作用的共振瑞利散射光谱

合成了双核铜-β-丙氨酸缩水杨醛席夫碱配合物([Cu2(HL)2](NO3)2·2H2O,简称CuL).在与血清白蛋白相互作用的过程中,发现它们结合会引起蛋白共振瑞利散射(RRs)的急剧增强.最大RRS峰位于470/470nm.对体系的适宜反应条件、影响因素及散射强度与蛋白质浓度的关系进行了研究.结果表明,在一定浓度范围内,蛋白质浓度与散射强度成正比.该方法有较高的灵敏度,对牛血清白蛋白(BSA)和人血清蛋白(HSA)的检测范围为5.0-30.5ng/mL.考察了共存物质的干扰影响,并对蛋白质合成样品和实际样品进行分析,结果满意.     

四苯基卟啉锌-单壁碳纳米管复合薄膜的制备与光电特性研究

使用喷涂法制备了四苯基卟啉锌(ZnTPP)薄膜及ZnTPP-单壁碳纳米管复合薄膜。采用金相显微镜、扫描电子显微镜、台阶仪、四探针测试仪、紫外-可见光分光光度计、傅里叶红外光谱仪对薄膜的形貌、电学及光学性能等进行了系统的测量,研究了ZnTPP薄膜及ZnTPP-碳纳米管复合薄膜的太赫兹响应特性。结果表明,ZnTPP的太赫兹指纹谱峰为44,57,77,88,95和102 cm-1,与文献[3]报道的棕树叶中叶绿素的指纹谱峰基本一致。重要的是,通过与碳纳米管相复合的方法,不仅使ZnTPP有机薄膜的均匀性及致密性得到了改善,还使后者的导电性及在紫外到太赫兹波段的光吸收性能获得明显增强。此外,还发现了复合薄膜在47及66 cm-1处出现新的太赫兹吸收峰,证明了碳纳米管和ZnTPP之间存在的相互作用。这种作用使复合薄膜的综合性能得到提高。结果表明,通过加入碳纳米管,能够对ZnTPP的薄膜质量以及电学和光学性能等进行有效的改善,使之具有综合优良的物理性能、具备光电器件的应用前景。研究成果对促进有机物的太赫兹光谱研究以及寻找新型太赫兹有机敏感材料等具有重要意义。     

Bursting oscillations in a hydro-turbine governing system with two time scales

A fast-slow coupled model of the hydro-turbine governing system(HTGS)is established by introducing frequency disturbance in this paper.Based on the proposed model,the performances of two time scales for bursting oscillations in the HTGS are investigated and the effect of periodic excitation of frequency disturbance is analyzed by using the bifurcation diagrams,time waveforms and phase portraits.We find that stability and operational characteristics of the HTGS change with the value of system parameter k_d.Furthermore,the comparative analyses for the effect of the bursting oscillations on the system with different amplitudes of the periodic excitation a are carried out.Meanwhile,we obtain that the relative deviation of the mechanical torque mt rises with the increase of a.These methods and results of the study,combined with the performance of two time scales and the fast-slow coupled engineering model,provide some theoretical bases for investigating interesting physical phenomena of the engineering system.     

具有Dzyaloshinskii-Moriya相互作用的XY模型的量子相干性

研究了具有Dzyaloshinskii-Moriya(DM)相互作用的一维横场XY自旋链的量子相变和量子相干性.采用约旦-维格纳变换严格求解了哈密顿量,并描绘了体系的关联函数和相图,相图包含反铁磁相、顺磁相和螺旋相.利用相对熵和Jensen-Shannon熵讨论了XY模型的量子相干性.研究发现,相对熵与Jensen-Shannon熵所表现的行为都可以很好地表征该模型的量子相变.非螺旋相中量子相干性不依赖DM相互作用,而在螺旋相DM相互作用对量子相干性有显著影响.此外,指出了在带有DM相互作用的这一类反射对称破缺体系中关联函数计算的常见问题.     

Double-rod metasurface for mid-infrared polarization conversion

Resonant responses of metasurface enable effective control over the polarization properties of lights. In this paper,we demonstrate a double-rod metasurface for broadband polarization conversion in the mid-infrared region. The metasurface consists of a metallic double-rod array separated from a reflecting ground plane by a film of zinc selenide. By superimposing three localized resonances, cross polarization conversion is achieved over a bandwidth of 16.9 THz around the central frequency at 34.6 THz with conversion efficiency exceeding 70%. The polarization conversion performance is in qualitative agreement with simulation. The surface current distributions and electric field profiles of the resonant modes are discussed to analyze the underlying physical mechanism. Our demonstrated broadband polarization conversion has potential applications in the area of mid-infrared spectroscopy, communication, and sensing.     

Modulation of electroencephalograph activity by manual acupuncture stimulation in healthy subjects:An autoregressive spectral analysis

To investigate whether and how manual acupuncture(MA) modulates brain activities,we design an experiment where acupuncture at acupoint ST36 of the right leg is used to obtain electroencephalograph(EEG) signals in healthy subjects.We adopt the autoregressive(AR) Burg method to estimate the power spectrum of EEG signals and analyze the relative powers in delta(0 Hz-4 Hz),theta(4 Hz-8 Hz),alpha(8 Hz-13 Hz),and beta(13 Hz-30 Hz) bands.Our results show that MA at ST36 can significantly increase the EEG slow wave relative power(delta band) and reduce the fast wave relative powers(alpha and beta bands),while there are no statistical differences in theta band relative power between different acupuncture states.In order to quantify the ratio of slow to fast wave EEG activity,we compute the power ratio index.It is found that the MA can significantly increase the power ratio index,especially in frontal and central lobes.All the results highlight the modulation of brain activities with MA and may provide potential help for the clinical use of acupuncture.The proposed quantitative method of acupuncture signals may be further used to make MA more standardized.     

铁苯基膦配合物均相催化乙酰丙酸乙酯与甲酸反应转化为γ-戊内酯的分子机制

本文基于密度泛函理论,计算了Fe(CF3SO3)2/PP3催化乙酰丙酸乙酯与甲酸反应转化为γ-戊内酯的反应机理。分析了单重态和三重态反应路径的热力学和动力学性质,结果表明除了预催化剂活化出现势能面交叉外,反应主要在三重态势能面上进行,包括以下几个步骤：甲酸盐配位方式重置,β-H消除得到活性催化剂[FeH(PP3)]+,接着乙酰丙酸乙酯的羰基碳和羰基氧接连被质子化得到中间体4-羟基戊酸乙酯,最后质子化的反离子CF3SO3H作为氢转移梭子协助分子内脱醇—关环生成目标产物γ-戊内酯。进一步探讨不同金属苯基膦配合物的催化活性,证实金属适宜的配位能力是筛选催化剂的关键。理论计算结果为优化设计高性能的生物质转化催化剂提供一定的理论指导。     

同源模建和分子对接研究HDAC1/HDAC8的选择性

组蛋白去乙酰化酶(HDACs)是近年来治疗肿瘤的重要靶标之一.由于HDACs包含多种亚型,且各亚型的生理功能存在一定的差异,其选择性抑制剂的开发已成为当前的研发热点.我们通过同源模建的HDAC1结构,与已有的HDAC8晶体结构的活性位点进行比较分析,探讨了对两者选择性有重要影响的残基,为基于受体的选择性抑制剂研究提供重要信息.同时选择了52个HDAC抑制剂,分别建立了HDAC1、HDAC8的活性值与对接打分值的线性回归模型.所建的HDAC1和HDAC8的线性构效关系模型的非交叉验证系数R2分别为0.82和0.80,表明具有一定的统计学意义.利用所建模型对已设计合成的化合物进行了预测,预测结果对HDAC1、HDAC8选择性抑制剂的优化改造提供了一定的指导意义.