Theoretical Studies on Reaction Mechanisms of HNCS with NH （ X^3∑）

The reaction mechanisms of HNCS with NH（X^3∑ ） were theoretically investigated. The minimum energy paths （MEP） of the reaction were calculated by using the density functional theory（DFT） at the B3LYP/6-311 ＋ ＋ G^＊＊ level. The equilibrium structural parameters, the harmonic vibrational frequencies, the total energies, and the zeropoint energies（ZPE） of all the species were calculated. The single-point energies along the MEP were further refined at the QCISD（T）/6-311 ＋ ＋ G^＊ ＊ level. It was found that the mechanisms of the HNCS ＋ NH（X^3∑） reaction involve two channels producing the HNC ＋ HNS and the N2H2 ＋ CS products. Channel 1 plays a dominant role and the HNC ＋ HNS are the main preduets. The reaction is exothermie.     

分子印迹技术制备石油有机硫组分固相萃取剂的研究

用分子印迹技术合成了对石油有机硫组分二苯并噻吩(Dibenzothiophene，DBT)具有高效选择性的分子模板聚合物(Molecularly Imprinted Polymer，MIP)，通过静态吸附的方法研究了不同功能单体和致孔剂及其用量对模板聚合物特异性识别能力的影响．实验表明，以4-乙烯基吡啶(4-VP)为功能单体，在甲苯溶剂中聚合得到的固相萃取剂对DBT具有较大的吸附富集能力和识别特性．其饱和吸附容量达到48．3mg／g．     

新型螺环六氢山酮素-氧化吲哚-苯并呋喃酮类拼接物的合成及其抗白血病细胞增殖活性

以色酮-氧化吲哚合成子与3-烯基苯并呋喃酮为原料,在催化剂1,8-二氮杂二环十一碳-7-烯作用下,在二氯甲烷中发生Michael/Michael加成关环反应,合成了6个未见文献报道的螺环六氢山酮素-氧化吲哚-苯并呋喃酮类拼接物(3a^3f),产率75%~87%,dr值3/1~5/1,其结构经1H NMR,13C NMR和HR-MS(ESI-TOF)表征。采用MTT法研究了3a^3f对人白血病细胞(K562)的体外抗增殖活性。结果表明:化合物3c,3e和3f对K562增殖有一定的抑制活性。     

Determination of the apparent standard potential of the Dy/Dy(Ⅲ) system in the LiCl-KCl eutectic

The apparent standard potential of Dy/Dy(III) system in the LiCl-KCl eutectic has been determined by the logarithmic analysis of the semi-integrals of voltammograms, logarithmic analysis of chronopotentiograms and the open circuit potentiometry. The dysprosium equilibrium potentiab for various concentration of dysprosium chloride in the LiCl-KCl eutectic melt between 400-500℃ were first determined experimentally, and the apparent standard potential of this system and its temperature dependance have been calculated.     

Application of Cyclopentadiene and its Derivatives in Natural Product Synthesis

Approaches toward the synthesis of iridoids and 9-isocyanopupukeanane starting from cy-clopentadiene are discussed.     

环化聚合的研究——聚合温度对甲基丙烯酸酐聚合反应机构的影响

前报关于对称非共轭双烯的环化聚合反应机构我们提出了单分子与双分子结合考虑的反应机构,由此而推得环化聚合组分方程为 -(d[M]/d[m])=A+(B/[M])A,B为反应速度常数的函数,本文报导甲基丙烯酸酐(MAN)在不同温度下进行环化聚合的研究进一步验证上述方程。当分别在60,40及25°聚合时,以d[M]/d[m]对1/[M]作图,都得到了直线,它们的截距分别为2.90,2.15及1.70。若只考虑单分子环化机构则截距将总是1,而不可能随聚合温度不同而改变,因此证实了前文所提出的方程及机构。本文并求得了在60,40及25°聚合时的双分子反应与单分子反应速度(双/单)的比值分别大于 2.7[M],2.0[M]及 1.4[M]。随聚合温度下降,双/单比值也下降,故当温度更低及在较稀单体浓度下聚合时,才有可能主要按单分子环化机构进行。本文还求得双分子环化反应活化能(E_(1c))较单分子环化反应活化能(E_c)高约3.7千卡/克分子,因而对为什么聚合温度升高时聚合体环化率也将升高作出解释。     

红外热像仪用于遮蔽烟幕材料性能的测试研究

红外遮蔽烟幕作为一种的高效价廉的光电对抗手段,.被广泛用于搜索跟踪以及制导的激光和红外成像系统的干扰,而遮蔽烟幕的干扰效能由烟幕材料的性能所决定,因此对烟幕材料性能的测试甚为重要.本文讨论了利用红外热像仪对红外遮蔽烟幕材料的性能进行测试的相关技术.首先阐释了红外热像仪测试物体红外辐射的基本原理,其次讨论了在实验室中利用红外热像仪对烟幕性能进行测试的原理,最后分析得到了利用红外热像仪测试烟幕材料性能的计算表达式并得到了相关的结论.     

PS 类Bent函数的一种构造方法

PS 类bent函数类是所有2^(n/2)-1或2^(n/2)-1+1个Fⁿ₂的"不交的" n 2 维子空间的指示函数的模2和所组成的函数的集合.这些函数具有很好的代数结构并在密码学中有很多应用.如何来刻画 PS bent函数的代数范式一直是公开的难题.构造 PS 类bent函数关键在于如何将Fⁿ₂划分为2^n/2+1个 n 2 维子空间.本文给出一种划分的方法,从而构造出 PS 类bent函数,并给出了对应的代数范式.     

分子印迹聚合物膜修饰电极的制备及在香草醛测量中的应用

以香草醛为模板分子,采用光引发聚合法和电化学聚合法分别在电极表面合成了香草醛印迹聚合物,探讨了两种方法的印迹、洗脱及电极再生机理。研究了香草醛在两种电极上的吸附行为,结果表明两种电极均可对香草醛进行吸附富集并进行线性扫描伏安法测定。两种电极均有很好的选择性、稳定性,且各有特点。     

Two-dimensional coupled vibration and equivalent circuit of longitudinal-longitudinal orthogonal composite vibration direction converter

With the advantages of transmitting energy from multiple directions to one direction and transforming vibration from one source to multiple directions, the two-dimensional vibra?tion direction converter has important applications in power ultrasonic technology. However, for the complexity of using the wave equation to design and analysis the two-dimensional vibration direction converter, a concise equivalent circuit for the converter is investigated. By introducing the two-dimensional mechanical coupling coefficient and the longitudinal force transform coef?ficient, and using the electromechanical analogy principle, the equivalent circuit and resonance frequency equation of the two-dimensional vibration direction converter vibrating in anti-phase and in-phase two-dimensional coupled vibration are deduced. The resonance frequencies of the vibration direction converters of two different materials are calculated by using the proposed frequency equation, which are in agreement with the results from the finite element method and the experimental test. It provides a concise method for the design and applications of such ultrasonic vibration system.