三唑类超分子化学与药物研究新进展

三唑环为含有三个氮原子的五元杂环, 唑环具有芳香性和丰富的电子, 易接受质子和络合金属离子, 因而三唑类化合物易通过配位键、氢键、离子-偶极、阳离子-?、?-?堆积、疏水效应以及范德华力等非共价键力形成超分子聚集体, 表现出许多特殊的性能及生物活性, 具有广泛的潜在应用如作为离子受体、材料、医药等. 近些年来, 相关三唑类超分子化学与医药的研究非常活跃, 发展特别迅速, 已成为十分活跃的热点研究领域. 本文结合自己的工作, 参考国内外近五年文献, 首次系统综述了三唑类化合物作为阳离子和阴离子受体以及三唑类超分子作为发光与磁性材料、医药在抗菌、抗真菌、抗癌等方面的研究与开发近况. 希望本综述对三唑类超分子化学与药物的进一步研发有所启迪.     

Kinetic evolutionary behavior of catalysis-select migration

We propose a catalysis-select migration driven evolution model of two-species(A-and B-species) aggregates,where one unit of species A migrates to species B under the catalysts of species C,while under the catalysts of species D the reaction will become one unit of species B migrating to species A.Meanwhile the catalyst aggregates of species C perform self-coagulation,as do the species D aggregates.We study this catalysis-select migration driven kinetic aggregation phenomena using the generalized Smoluchowski rate equation approach with C species catalysis-select migration rate kernel K(k;i,j) = Kkij and D species catalysis-select migration rate kernel J(k;i,j) = Jkij.The kinetic evolution behaviour is found to be dominated by the competition between the catalysis-select immigration and emigration,in which the competition is between JD0 and KC0(D0 and C0 are the initial numbers of the monomers of species D and C,respectively).When JD0 KC0 > 0,the aggregate size distribution of species A satisfies the conventional scaling form and that of species B satisfies a modified scaling form.And in the case of JD0 KC0 < 0,species A and B exchange their aggregate size distributions as in the above JD0 KC0 > 0 case.     

Parametric down-conversion with local operation and two-way classical communication

The decoy-state quantum key distribution protocol suggested by Adachi et al. (Phys. Rev. Lett. 99 180503 (2007)) is proven to be secure and feasible with current techniques. It owns two attractive merits,i.e.,its longer secure transmission distance and more convenient operation design. In this paper,we first improve the protocol with the aid of local operation and two-way classical communication (2-LOCC). After our modifications,the secure transmission distance is increased by about 20 km,which will make the protocol more practicable.     

Deterministically distinguishing a remote Bell state

It has been proven that, with a single copy provided, the four Bell states cannot be distinguished by local operations and classical communications (LOCC). Traditionally, a Bell basis projective measurement is needed to distinguish the four Bell states, which is usually carried out with a local interference between two particles. This paper presents an interesting protocol that allows two remote parties to distinguish four Bell states deterministically. We prove that our protocol of distinguishing remote Bell states is beyond LOCC.     

The reliability of AlGaN/GaN high electron mobility transistors under step-electrical stresses

In spite of their extraordinary performance, AlGaN/GaN high electron mobility transistors (HEMTs) still lack solid reliability. Devices under accelerated DC stress tests (off-state, V_DS =0 state, and on-state step-stress) are investigated to help us identify the degradation mechanisms of the AlGaN/GaN HEMTs. All our findings are consistent with the degradation mechanism based on crystallographic-defect formation due to the inverse piezoelectric effects in Ref. [1] (Joh J and del Alamo J A 2006 IEEE IDEM Tech. Digest p. 415). However, under the on-state condition, the devices are suffering from both inverse piezoelectric effects and hot electron effects, and so to improve the reliability of the devices both effects should be taken into consideration.     

环糊精在手性药物分离分析研究中的应用

环糊精由于自身特殊的手性环境和结构特征,已广泛运用于手性化合物的对映体拆分及分析。对近年来环糊精在各种色谱、质谱及核磁等分析方法中的应用进行了归纳总结,综述了环糊精及其衍生物在手性药物的分离分析方面的研究进展。     

First principle study of nitrogen vacancy in aluminium nitride

In the framework of density functional theory, using the plane-wave pseudopotential method, the nitrogen vacancy ($V_{\rm N})$ in both wurtzite and zinc-blende AlN is studied by the supercell approach. The atom configuration, density of states, and formation energies of various charge states are calculated. Two defect states are introduced by the defect, which are a doubly occupied single state above the valance band maximum (VBM) and a singly occupied triple state below the conduction band minimum (CBM) for wurtzite AlN and above the CBM for zinc-blende AlN. So $V_{\rm N}$ acts as a deep donor in wurtzite AlN and a shallow donor in zinc-blende AlN. A thermodynamic transition level $E({3 + } \mathord{\left/ {\vphantom {{3 + } + }} \right. \kern-\nulldelimiterspace} + )$ with very low formation energy appears at 0.7 and 0.6eV above the VBM in wurtzite and zinc-blende structure respectively, which may have a wide shift to the low energy side if atoms surrounding the defect are not fully relaxed. Several other transition levels appear in the upper part of the bandgap. The number of these levels decreases with the structure relaxation. However, these levels are unimportant to AlN properties because of their high formation energy.     

一种快速测定厌氧污泥活性的顶空气相色谱技术

将含有厌氧污泥的样品放入一顶空样品瓶内,在恒定的温度下平衡,并通过多次顶空抽提的方式对样品瓶中所产生的甲烷量随时间的变化进行气相色谱检测,从而实现厌氧污泥比产甲烷活性的检测。实验表明,多次顶空抽提-气相色谱测定厌氧污泥产甲烷活性的技术用约3 h就可以得出厌氧污泥产甲烷的线性规律,其结果与对比试验的数据相近。因而该方法适用于厌氧污泥活性的快速预测,可大大提高相关厌氧污泥活性测定及废水处理领域研究的效率。     

近红外光谱测定猪眼肌肌内脂肪中脂肪酸含量

为了快速无损测定猪眼肌肌内脂肪中脂肪酸含量,提出了近红外光谱技术检测的新方法。选用气相色谱法作为猪眼肌肌内脂肪中脂肪酸测定的标定方法,采用漫反射光纤探头采集由低密度聚乙烯塑料袋包装的猪眼肌样品的光谱,来测定眼肌内脂肪中脂肪酸的含量。利用光谱专用分析软件Unscrambler9.6, 对采集的光谱用平滑,二阶微分法进行预处理, 用偏最小二乘法(PLS)建立其定量检测模型。用于本实验的样本总数为82,将异常点除去后,将样品分为校正集和检验集。用校正集的样品来建立定标方程,再用它来预测检验集样品的值。结果表明,脂肪酸C14∶0,C15∶1,C16∶0,C16∶1,C18∶0,C18∶1,C18∶2,C18∶3,C20∶1,C20∶4,SFA,MUFA和PUFA校正模型的相关系数分别为0.57,0.76,0.71,0.77,0.62,0.81,0.86,0.91,0.85,0.91,0.67,0.81和0.95。可见, 用该方法测定肌内脂肪中脂肪酸有较高的测定精度,因此,应用近红外光谱对猪眼肌肌内脂肪中脂肪酸含量的快速无损检测具有可行性。     

多传感器数据融合时权的最优分配原则

对多个同类传感器的输出数据进行融合时多采用和权平均法,权的分配对融合效果的影响十分明显。作利用多元统计理论分析了权的分配对融合精度的影响,推导出了权的最优分配原则,并采用多个陀螺仪对某一旋转角速度的实际测量进行了仿真,实验证实这种权的分配原则是最优的。