基态和激发态氧振动光谱的量子力学计算

利用分子势能函数的Murrell-Sorbie和PG函数形式,将时域有限差分法应用基态和激发态氧分子的振动能级的量子力学计算,计算结果令人满意.     

角锥棱镜的直角面面形问题

从一个侧面论述了角锥棱镜直角面面形误差所导致的出射波面像差及两面直角误差之间的定量关系 ,因而可以分别从后两者的精度要求提出对面形误差的要求。对于高精度的角锥棱镜 ,直角面面形问题应如同两面直角误差一样受到重视和关注     

TiO2薄膜的结构和光学性质的研究

以金属钛为靶材，用反应射频溅射法制备了TiO2薄膜，并在600－900℃下进行了热处理，经XRD测量，在600－800℃下TiO2薄膜为锐钛矿和金红石两种结构的混合态，在900℃下TiO2薄膜为纯金红石结构，研究TiO2薄膜的SEM照片和UV－vis透射光谱发现，不同的热处理温度会影响TiO2薄膜中锐矿和金红石两种结构的比例，从而导致TiO2薄膜的微观形貌，折射率，禁带宽度等性质的变化。     

复测法测定气轨的粘性阻尼常量

运用解决天平不等臂的复称法的思想，设计了复测法测定气轨的粘性阻尼常量的方法。     

Synthesis of Breathing Metallopolymer Hollow Spheres for Redox‐Controlled Release

A convenient synthetic approach for the preparation of uniform metallopolymer‐containing hollow spheres based on 2‐(methacryloyloxy)ethyl ferrocenecarboxylate (FcMA) as monomer by sequential starved feed emulsion polymerization is described. Core/shell particles consisting of a noncrosslinked poly(methyl methacrylate) core and a slightly crosslinked ferrocene‐containing shell allows for the simple dissolution of core material and, thus, monodisperse metallopolymer hollow spheres are obtained. Since PFcMA is incorporated in the particle shell, herein investigated hollow spheres can be addressed by external triggers, i.e., solvent variation and redox chemistry in order to change the particle swelling capability. PFcMA‐containing core/shell particles and hollow spheres are characterized by transmission electron microscope (TEM), scanning electron microscopy, cryogenic TEM, thermogravimetric analysis, and dynamic light scattering in terms of size, size distribution, hollow sphere character, redox‐responsiveness, and composition. Moreover, the general suitability of prepared stimulus‐responsive nanocapsules for the use in catch‐release systems is demonstrated by loading the nanocapsules with malachite green as model payload followed by release studies.

     

Theoretical study on the reaction of (Z)‐CF3CHCHCF3 with OH radicals

The mechanism on the OH‐initiated atmospheric oxidation reaction of (Z)‐CF₃CH?CHCF₃ with and without O₂/NO has been investigated theoretically. The electronic structure information of the potential energy surface was obtained at the M06‐2X/aug‐cc‐pVDZ level, and the single‐point energies were refined by MCG3/3 method. The calculations show that the (Z)‐CF₃CH?CHCF₃ + OH reaction occurs via addition‐elimination mechanism, leading to products CF₃ and CF₃CH?CH(OH), rather than H‐abstraction mechanism at low temperature. Under atmospheric condition, the OH‐addition intermediate is likely to react rapidly with O₂/NO, and the likely products are CF₃C(O)H, CF₂(O), CF₃CH(OH)CH(O), FNO, and HO₂, as is proposed by experiment. © 2013 Wiley Periodicals, Inc.     

Silica Sulfuric Acid‐Catalyzed Five‐component Efficient Synthesis of Five‐Substituted Tetrahydropyridines

A highly atom‐economic one‐pot synthesis of five‐substituted tetrahydropyridines via a five‐component condensation of two equivalents of aromatic aldehyde, two equivalents of aromatic aniline, and one equivalent of β‐keto ester catalyzed by silica sulfuric acid is reported. In this reaction, up to five new bonds and one new ring were formed in one pot with water as the only one by‐product.     

Synthesis and morphological study of thick benzyl methacrylate-styrene diblock copolymer brushes

We demonstrate, for the first time, the synthesis of model poly(benzyl methacrylate) [P(BnMA)] brushes of very high thickness (>300 nm) on silicon wafer. P(BnMA) brush is also synthesized from the surface of silica nanoparticles, from a covalently anchored initiator monolayer, using ambient temperature ATRP. The kinetic studies and block copolymerization from the surface anchored P(BnMA)-Br macroinitiator showed that the polymerization was controlled in nature. AFM, ellipsometry, and water contact angle were used for the characterization of the polymer brush. The grafting density of the P(BnMA) brush, formed by immersion in a dilute monomer solution, was relatively less (～11% less) in comparison to that obtained by immersion in neat monomer under similar conditions. The P(BnMA)-Br macroinitiator brushes were used to synthesize P(BnMA-b-S) diblock copolymer brushes by the ATRP of styrene at 95 °C. The P(BnMA-b-S) brushes showed stimulus response to a selective solvent and various nanopatterns were observed according to the composition of the block copolymer.     

Simple one-step process for immobilization of biomolecules on polymer substrates based on surface-attached polymer networks

For the miniaturization of biological assays, especially for the fabrication of microarrays, immobilization of biomolecules at the surfaces of the chips is the decisive factor. Accordingly, a variety of binding techniques have been developed over the years to immobilize DNA or proteins onto such substrates. Most of them require rather complex fabrication processes and sophisticated surface chemistry. Here, a comparatively simple immobilization technique is presented, which is based on the local generation of small spots of surface attached polymer networks. Immobilization is achieved in a one-step procedure: probe molecules are mixed with a photoactive copolymer in aqueous buffer, spotted onto a solid support, and cross-linked as well as bound to the substrate during brief flood exposure to UV light. The described procedure permits spatially confined surface functionalization and allows reliable binding of biological species to conventional substrates such as glass microscope slides as well as various types of plastic substrates with comparable performance. The latter also permits immobilization on structured, thermoformed substrates resulting in an all-plastic biochip platform, which is simple and cheap and seems to be promising for a variety of microdiagnostic applications.