由2-(对溴)苯基-4,5-咪唑二羧酸构筑的镍(Ⅱ)配位聚合物的合成、结构及性质研究

本文首先合成了多功能有机桥联配体:2-(对溴)苯基-4,5-咪唑二羧酸(p-BrPhH₃IDC),使之与Ni(Ⅱ)在溶剂热条件下自组装,得到了一个二维配位聚合物{[Ni(p-BrPhH₂IDC)₂]·2H₂O}_n (1)。采用红外光谱、元素分析以及X-ray单晶衍射表征了这个配合物的分子结构。结果表明:H3BrPhIDC配体表现出比较强的配位能力,这和通过量子化学计算给出的预测一致。研究了此配聚物在空气气氛下的热稳定性以及采用变温磁化率研究了在2.0~300 K范围内的磁性质。结果表明:在配合物1中,相邻镍离子间存在着弱的反铁磁偶合作用。     

A COMPARISON OF DENATURATION AND INACTIVATION RATES OF CREATINE KINASE IN GUANIDINE SOLUTIONS

Both the denaturation, as followed by UV absorbance and fluorescence changes, and inac-tivation of creatine kinase in guanidine solutions have been found to be first order reactions.In 3 M guanidine, at 30℃, the inactivation rate constant was found to be 5.9 sec~(-1) and thedenaturation rate constant 1.9 sec~(-1). At lower guanidine concentrations, the inactivation rateconstants were only little affected whereas the denaturation rate constants decreased markedly,being of the order of 0.04 in 1 M and 0.004 in 0.5 M guanidine. The kinetics of the inactiva-tion reaction in 0.5 M guanidine was found to be in agreement with a combination of two firstorder reactions. The enzyme lost activity first by a fast reaction with a rate constant onlyslightly lower than the rate constant in 3 M guanidine followed by a slower reaction with a rateconstant of 0.003 sec~(-1). In 0.3 M guanidine, very little change in either UV absorbance or influorescence was observed, but, in sharp contrast, the enzyme lost considerable activity by a fastreaction and this was followed by a slower reaction of inactivation. Even after prolongeddenaturation in 0.5 and 0.3 M guanidine, residual activities of 3.4% and 30% remained res-pectively. The above results suggest a very fragile active site although dissociation of thedimer and reversible guanidine inhibition may also contribute to the initial rapid inactiva-tion. It is also to be noted that the multiphasic courses of inactivation at lower guanidineconcentrations seem to suggest the presence of partly active intermediates during denaturation.     

基于生成对抗网络的飞机燃油数据缺失值填充方法

飞机传感器采集的燃油数据是后续燃油测量的基础。在飞行过程中,由传感器采集的数据因存在部分缺失值,如直接进行后续处理将影响燃油测量精度。现有的缺失值填充方法存在两方面问题,一方面易忽视飞机燃油时序数据在时间维度上的上下文依赖关系;另一方面缺少完整的样本数据集进行模型训练。基于此,提出了一种基于生成对抗网络的缺失值填充方法,从而有效解决了传统方法难以处理的时序数据历史隐含规律及样本不完整的问题,且填充效果较其他算法更佳。     

蜡烛不完全燃烧实验的改进

指出了初中化学教材中“蜡烛不完全燃烧”实验缺乏直观性的不足,详细介绍了利用铁管和蜡烛演示的实验方法及实验现象。     

Y2O3/纳米碳管复合粒子的结构及其对高氯酸铵热分解性能的研究

采用溶胶-凝胶法制备了Y₂O₃/纳米碳管复合粒子, 并用SEM, XPS, FT-IR和XRD对Y₂O₃/纳米碳管复合粒子的形貌和微观结构进行了表征. 结果表明, 纳米碳管有效承载了Y₂O₃, Y₂O₃连续均匀地负载在纳米碳管的表面, 负载量为19.53%. FT-IR 和XPS证明了Y₂O₃粒子和纳米碳管表面之间发生了化学键合. 用三种方法将相同比例的Y₂O₃/纳米碳管复合粒子与高氯酸胺(AP)进行混合, 采用差热分析(DTA)研究了三种混合样品中Y₂O₃/纳米碳管复合粒子对高氯酸铵热分解的催化性能. 结果表明, 三种混合样品中的Y₂O₃/纳米碳管复合粒子都能催化高氯酸铵的热分解, 其中通过水溶剂混合的样品中Y₂O₃/纳米碳管复合粒子的催化效果优于另外两种. 与纯高氯酸铵相比, 其样品中高氯酸铵的高温分解峰温降低了168.5 ℃, 表观分解热由371 J•g^－1提高到1410 J•g^－1. 并用不同样品中高氯酸铵热分解动力学参数对所得结果进行了理论分析.     

Automatic microcircuit formation based on gold-coated SU-8 microrods via dielectrophoresis

To explore the application of the characteristics of metallic microparticles, alternating current electric trapping of the SU-8 microrods coated with a thin gold layer by the chemical approach is investigated. Positive dielectrophoresis is used to absorb the gold-coated SU-8 microrods at the edge of the parallel electrodes, thereby forming chains to connect the electrodes. This is a fast automatic microcircuit formation process. Moreover, a non-charged molecule is modified on the surface of the gold-coated SU-8 microrod, and the modified microrods are controlled by the alternating electric field to form a number of chains. The different chains between the parallel electrodes consist of various parallel circuits. In order to compare these chains with different electric surfaces, the impedances of the metallic and modified microrods are measured and compared, and the results show that the gold-coated microrods act as pure resistors, while the microrods functionalized by a non-charged molecule behave as good capacitors.     

基于芳香基咪唑二羧酸的钴(Ⅱ)配聚物的合成及性能

本文通过2-(对叔丁基)苯基咪唑二羧酸(H3BuPhIDC)与钴离子的水热反应制备了一个一维的配聚物[Co(μ2-HBuPhIDC)(H2O)2]n(1)。通过红外光谱、元素分析以及X-ray单晶衍射测试了其分子结构。通过结构分析发现:咪唑羧酸配体以μ2-kN,O:kN’,O’的模式与Co离子配位。研究了配合物1的热稳定性以及在2-300 K范围内的变温磁化率。结果表明:在1中,钴离子间存在着弱的反铁磁偶合作用,理论拟合值为J=-1.95 cm-1,g=2.08。     

Y2O3/纳米碳管复合粒子的结构及其对高氯酸铵热分解性能的研究

采用溶胶-凝胶法制备了Y₂O₃/纳米碳管复合粒子, 并用SEM, XPS, FT-IR和XRD对Y₂O₃/纳米碳管复合粒子的形貌和微观结构进行了表征. 结果表明, 纳米碳管有效承载了Y₂O₃, Y₂O₃连续均匀地负载在纳米碳管的表面, 负载量为19.53%. FT-IR 和XPS证明了Y₂O₃粒子和纳米碳管表面之间发生了化学键合. 用三种方法将相同比例的Y₂O₃/纳米碳管复合粒子与高氯酸胺(AP)进行混合, 采用差热分析(DTA)研究了三种混合样品中Y₂O₃/纳米碳管复合粒子对高氯酸铵热分解的催化性能. 结果表明, 三种混合样品中的Y₂O₃/纳米碳管复合粒子都能催化高氯酸铵的热分解, 其中通过水溶剂混合的样品中Y₂O₃/纳米碳管复合粒子的催化效果优于另外两种. 与纯高氯酸铵相比, 其样品中高氯酸铵的高温分解峰温降低了168.5 ℃, 表观分解热由371 J•g^－1提高到1410 J•g^－1. 并用不同样品中高氯酸铵热分解动力学参数对所得结果进行了理论分析.     

肌酸激酶胍变性时的构象变化

文本应用紫外差光谱及荧光光谱的方法测定了肌酸激酶在不同浓度胍中变性时的构象变化: 1.低浓度胍(小于1M)变性时,差光谱中只表现出281毫微米,287毫微米的负差吸收峰,未见292毫微米的差吸收峰。荧光强度明显升高,最大峰值位置自337毫微米红移至345毫微米。 2.高浓度胍变性时,差光谱中287毫微米的负差吸收峰明显加大,至3M胍变性时达最大值,此时于292毫微米处出现一较小的负差吸收峰。荧光强度随胍浓度升高而降低,3M胍变性时,最大峰值位置红移至355毫微米,并且不再随胍浓度增大而改变,同时于310毫微米处出现一新的发射肩。 3.模型化合物对照实验表明胍对于解离酪氨酸在345毫微米的荧光发射强度有明显的增强效应。 这些现象表明,肌酸激酶分子中部分色氨酸处于分子表面,部分隐蔽于疏水内核。有相当部分的酪氨酸是处于解离状态。3M胍变性时,肽链可能已充分伸展。     

Lie Algebraic Approach to Energy Transfer for Collinear Collision of Two Anharmonic Diatomic Molecules

An anharmonic oscillator algebra model is used to study the collinear collisions of two diatomic molecules. The transition probability for vibration-vibration energy transfer is presented. For an application of the method, we talk about the collision of N2＋CO, N2＋O2, and N2＋N2. Through long time averaging, the transition probability changes to the function of total energy of the system. Comparing the results with the quantum results, we can see that the dynamical Lie algebraic method is useful for describing the anharmonie diatomic molecular collision.