手性介质中的自诱导非线性旋光

采用经典电磁场理论对非导电型各向同性手性介质光学非线性性质进行了描述,着重研究线偏振光自诱导非线性旋光现象。给出了在特定条件下非线性旋光附加角的表达式。     

铜(II)-氟喹诺酮类抗生素螯合物与赤藓红体系的吸收、荧光和共振Rayleigh散射光谱及其分析应用研究

在pH 4.2~5.0的Britton-Robinson 缓冲溶液中, 环丙沙星(CIP), 诺氟沙星(NOR), 氧氟沙星(OF), 左氧氟沙星(LEV), 洛美沙星(LOM)和司帕沙星(SPA)等氟喹诺酮类抗生素(FLQs) 能与铜(II)形成螯合阳离子, 它们能进一步与赤藓红(Ery)阴离子通过静电引力和疏水作用形成FLQs:Cu(II): Ery为1:1:1的离子缔合物. 此时, 能引起吸收光谱的变化, 并发生明显的褪色作用, 最大褪色波长均位于526 nm处, 反应具有较高的灵敏度, 除NOR的摩尔吸光系数(ε)较低外, 其余5种抗生素的ε值均大于1.0×10⁵ L·mol^-1·cm^-1, 而且LOM和OF体系的ε值均大于3×10⁵ L·mol^-1·cm^-1, 而SPA的e 值高达7.22×10⁵ L·mol^-1·cm^-1, 可用于这类药物的分光光度测定. 离子缔合反应还导致赤藓红的荧光猝灭, 反应也具有高灵敏度, 上述6种FLQs药物的检出限在7.1~12.2 μg·L^-1之间, 为荧光猝灭法测定μg·L^-1级FLQs创造了条件. 离子缔合反应更能导致共振瑞利散射(RRS)的显著增强, 并产生新的RRS光谱. 六种药物的反应产物具有相似的光谱特征, 最大散射波长均位于566 nm处, 并在333 nm和287 nm处有2个较小的散射峰. 在一定条件下散射增强(ΔI)与药物浓度成正比. RRS法较褪色分光光度法和荧光猝灭法具有更高的灵敏度, 对不同的FLQs药物的检出限在1.7 μg·L^-1至3.1 μg·L^-1之间, 更适于痕量的FLQs测定. 研究了反应产物的吸收、荧光和RRS光谱特征, 适宜的反应条件及分析化学性质, 结合量子化学计算方法讨论了离子缔合反应的历程及对光谱特征的影响, 并研究了RRS法 的选择性及分析应用.     

计算烷烃系列同分异构体理论数目的计算机方法

计算烷烃系列同分异构体理论数目的计算机方法伊崇信计算机科学与工程系张仁权邓启刚化学工程系（齐齐哈尔轻工学院齐齐哈尔１６１００６）１理论依据根据参考文献［１］的介绍，烷烃同系列异构体的数目和它的碳原子之间没有直接的关系存在。但根据对其结构图式的分解分析...     

自然语言处理领域中的自动问答研究进展

分别从数据来源、问答范围、会话管理方式等三个方面介绍了自动问答的发展现状,并着重阐述了基于深度学习的自动问答的研究进展,分析并总结了自动问答领域近年的研究成果,指出了自动问答未来所面临的问题。     

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.     

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。     

在优化工科数学教学质量系统中的几点做法与体会

介绍近二十年来对工科数学教学质量系统进行整体优化设计的几点做法与体会.     

Modulation of brain functional connectivity with manual acupuncture in healthy subjects: An electroencephalograph case studying

Manual acupuncture is widely used for pain treatment and stress control. Previous studies on acupuncture have shown its modulatory effects on functional connectivity associated with one or a few preselected brain regions. To investigate how manual acupuncture modulates the organization of functional networks at a whole-brain level, we acupuncture at ST36 of right leg to obtain electroencephalograph (EEG) signals. By coherence estimation, we determine the synchronizations between all pairwise combinations of EEG channels in three acupuncture states. The resulting synchronization matrices are converted into functional networks by applying a threshold, and clustering coefficients and path lengths are computed as a function of threshold. The results show that acupuncture can increase functional connections and synchronizations between different brain areas. For a wide range of threshold, the clustering coefficient during acupuncture and post-acupuncture period is higher than that during the pre-acupuncture control period, whereas characteristic path length is shorter. We provide further support for the presence of "small-world" network characteristics in functional networks by acupuncture. These preliminary results highlight the beneficial modulations of functional connectivity by manual acupuncture, which could contribute to the understanding of acupuncture effects on the entire brain, as well as the neurophysiological mechanisms underlying acupuncture. Moreover, the proposed method may be a useful approach to the further investigation of the complexity of patterns of interrelations between EEG channels.