孤对电子与赤道取向——sp3d杂化轨道中电子对排列的一种有趣现象

揭示了一种有趣的分子结构现象：在ABn型多原子分子或离子结构中,若中心原子A的轨道杂化方式为sp3d,且价层有孤电子对时,孤电子对总是呈三角双锥的赤道取向;若分子中A、B原子间有重键时,B原子也总是呈赤道取向。探讨了这一现象的内在原因,并通过归纳法论证了这一规律。     

基于量子点的多组分分析研究进展

半导体荧光量子点因其独特的一元激发/多元发射、耐光漂白、发射波长可调等光学性质在细胞生物学研究、生物化学传感、药物筛选及示踪、环境监测等诸多领域都得到广泛的应用.本文简述了量子点的基本特性,重点介绍了近年来基于量子点的荧光特性及其与荧光共振能量转移、分子信标、荧光原位杂交等分析技术相结合而发展起来的一些新技术,以及基于QDs的阳极溶出伏安法和电化学发光在多组分分析方面的研究进展,最后就该研究领域现存的问题和将来的发展方向提出了拙见.     

Metal-to-Oxide Charge Transfer Observed by a Kelvin Probe Force Microscope

The charge transfer from a nanometer-sized transition metal particle to a catalyst support is thought to affect reactions over the metal surface. We propose the application of Kelvin probe force microscope, which is an extension of the atomic force microscope, to observe the charge transfer particle-by-particle. Our recent results on Na adatoms, Cl adatoms, Pt adatoms and particles, and Ni particles evaporated on TiO₂(110) are reviewed.     

基于纳米金探针和基因芯片的DNA检测新方法

运用荧光纳米金探针和基因芯片杂交建立一种新的DNA检测方法. 荧光纳米金探针表面标记有两种DNA探针: 一种为带有Cy5荧光分子的信号探针BP1, 起信号放大作用; 另一种为与靶DNA一部分互补的检测探针P532, 两种探针比例为5∶1. 当靶DNA存在时, 芯片上捕捉探针(与靶DNA的另一部分互补)通过碱基互补配对结合靶DNA, 将靶DNA固定于芯片上; 荧光纳米金探针通过检测探针与靶DNA及芯片结合, 在芯片上形成“三明治”复合结构, 最后通过检测信号探针上荧光分子的信号强度来确定靶DNA的量. 新方法检测灵敏度高, 可以检测浓度为1 pmol/L的靶DNA, 操作简单, 检测时间短. 通过改进纳米金探针的标记和优化杂交条件, 可进一步提高核酸检测的灵敏度, 这将在核酸检测方面具有重要的应用价值.     

The sp2 and sp3 fractions of unknown carbon materials: electron energy-loss near-edge structure analysis of C-K spectra acquired under the magic-angle condition by the electron nanobeam technique

A method is described for the quantification of the sp², sp³ and intermediate hybridizations in several carbon (C) material samples. Electron energy-loss near-edge spectra were acquired using fast electrons (120 keV) in an electron microscope in nanobeam configuration under the so-called ”magic-angle” condition, and were analysed to extract the sp² and sp³ fractions, and identify the possible mixed sp^2+ε hybridizations. The method consists in projecting the unknown spectra on a basis made up of pure sp² and sp³ spectra, obtained under the same experimental conditions from graphite and diamond crystals, respectively. The residual spectra contain information about the intermediate hybridizations sp^2+ε occurring in the samples. The method was successfully tested on “ab initio” numerically generated spectra relative to amorphous C materials. Finally, it was applied to actual C amorphous and pyrolytic samples, and results were compared to those obtained by the most commonly used, conventional ”three-Gaussian” method. The combined application of electron diffraction and spectroscopy, in the nanobeam configuration, yielded useful information about the atomic and electronic structure from very small volumes of the unknown C material.     

Approximate expressions and the relationship between pyramidalization (out‐of‐plane deformation) characteristics of trigonal centers

Fairly accurate approximate expressions for commonly used characteristics of non‐planarity of trigonal sp²‐hybridized centers are reported. It is shown that the behavior of all these parameters as a function of bond angles (α, β, γ) is determined primarily by the square‐root of the difference [360° ? (α + β + γ)]. This quantity is proposed as a new versatile measure of pyramidalization. © 2012 Wiley Periodicals, Inc.     

Parallelization of a Two-Phase Metaheuristic for Routing Problems with Time Windows

This paper describes the parallelization of a two-phase metaheuristic for the vehicle routing problem with time windows and a central depot (VRPTW). The underlying objective function combines the minimization of the number of vehicles in the first search phase of the metaheuristic with the minimization of the total travel distance in the second search phase. The parallelization of the metaheuristic follows a type 3 parallelization strategy (cf. Crainic and Toulouse (2001). In F. Glover and G. Kochenberger (eds.). State-of-the-Art Handbook in Metaheuristics. Norwell, MA: Kluwer Academic Publishers), i.e. several concurrent searches of the solution space are carried out with a differently configured metaheuristic. The concurrently executed processes cooperate through the exchange of solutions. The parallelized two-phase metaheuristic was subjected to a comparative test on the basis of 358 problems from the literature with sizes varying from 100 to 1000 customers. The derived results seem to justify the proposed parallelization concept.     

Dipyrrylmetheneboron Difluorides as Labels in Two-Photon Excited Fluorometry. Part II–Nucleic Acid Hybridization Assays

Five two-photon excitable dipyrrylmetheneboron difluoride labels (dipyrrylmethene-BF₂ labels) with fluorescence emission maximum between 530 and 590 nm, and a frequently used rhodamine label, TAMRA, were conjugated to aminomodified oligonucleotides. The performance of the labeled oligonucleotides was studied in a separation-free nucleic acid hybridization assay using ArcDia^™ TPX bioaffinity assay technology. The results show that oligonucleotide conjugates of dipyrrylmethene-BF₂ labels provide higher two-photon excited fluorescence yield and better assay sensitivity than corresponding TAMRA conjugate. The effect of conjugation on photophysical properties of the labels and performance of the labeled oligonucleotides in separation-free hybridization assay is discussed.