应用分子子图指数估计与预测烷烃核磁共振碳谱位移和

系统地研究了核磁共振碳谱(¹³C NMR)与化学位移规律及其定量构谱关系(QSSR).本文研究了一组多元素分子子图指数矢量(VMSG),并发现它与烷烃化学位移和(CCSA)有很好线性相关性.采用多元线性回归(MVLR)进行准确估计与预测,结果良好.     

用亚图参数与回归技术估计和预测烷烃的核磁共振碳谱

系统研究了分子建模在波谱分析中的应用.采用多元线性回归算法(MLR)估计和预测了60余种烷烃的碳谱化学位移.烷烃中碳原子由十余种对应于所谓根亚树的相嵌频率描述子所决定.这些描述子等于由2~5个碳原子组成的更小结构骨架组成.说明了所用描述子作为很有用的工具可适当地描述烷烃中碳所处微观环境.同时还比较了与神经网络的计算结果.     

多信息输出位移传感器

本文提出一种用于空间自由曲面测量的多信息输出位移传感器.该传感器结构简单,传感器的输出量与被测量成线性关系,不但能给出位移信息、倾斜角度,还能给出测量光的强弱信息.     

Synthesis, crystal structure and magnetic properties of a novel manganese(II)-nitronyl nitroxide-azido(μ_(1,1) and μ_(1,3)) one-dimensional complex

A novel one-dimensional manganese(Ⅱ) complex containing nitronyl nitroxide radical [Mn2(IM2-py)2(Ac)2((μ1.1-N3)(μ1,3-N3) . EtOH]n was synthesized and characterized structurally and magnetically. It crystallizes in the monoclinic space group p21/n. Each Mn(Ⅱ) ion is six-coordinated in a distorted octahedral environment. The two N atoms of the nitronyl nitroxide radical and the two O atoms of acetate ligands are in the equatorial plane, whereas the two different azido bridging ligands are in trans axial position. Mn(Ⅱ) ions are linked by nitrogen atom of μ1,1-azido and oxygen atoms of two carboxy groups to form a Mn-Mn unit. Mn-Mn units are linked by azido ligands through u1,3 bridging style to form a one-dimensional chain. The compound is connected by the coordination bonds,π-π interactions and hydrogen bonds as a three-dimensional structure. Magnetic susceptibility data support that there are stronger antiferromagnetic interactions between the radical and Mn(Ⅱ) ion, weak antiferromagnetic inter     

无机晶须材料的合成与应用

本文综述了无机晶须材料的合成与应用研究现状.近年来我国在这一研究领域取得了很大发展,以"硼酸铝晶须产业化"项目为代表的无机晶须材料的工业化生产,无疑将对我国高技术新材料的发展起极大的促进作用.本文还对几种典型的无机晶须材料--SiC晶须、Al18B4O33晶须、K2Ti6O13晶须、CaCO3晶须、Mg2B2O5晶须、莫来石晶须的合成与应用研究现状作了概述,并就其研究前景作了展望.     

基于液滴微流控接口的高效液相色谱-毛细管电泳二维分离平台初探

蛋白质组体系的高度复杂性需要更高分辨率的多维分离技术。近年兴起的液滴技术在微纳尺度样品操控方面具有微体积、低扩散、无返混等独特优势,有望为多维分离平台的接口提供解决方案。通过采用不同结构的液滴微流控芯片可以实现“液滴生成”与“油相排除”功能,进行样品由连续流-非连续流-连续流的高效转移,将不同的分离模式进行二维耦联。本研究利用液滴作为接口技术耦联高效液相色谱与毛细管电泳构建二维分离系统,以蛋白质降解的复杂多肽混合物为样品,考察了液滴接口二维分离平台的可行性和有效性,并获得3000以上的峰容量,初步展示了该接口技术在多维分离分析领域的应用潜力。     

Ru0.7Si0.3O2/Ti电极电催化氧化处理硝基苯废水

制备了Ru0.7Si0.3O2/Ti电极,并以该电极作为氧化阳极,不锈钢为阴极,电催化氧化降解废水中硝基苯。 实验结果表明,当硝基苯初始质量浓度为220 mg/L时,最佳条件为：电流密度25×10-3 A/cm2;Na2SO4作为电解质时加入量为8 g/L;溶液初始pH=2。 在此最佳条件下,硝基苯去除率大于85%,TOC去除率大于50%,表明Ru0.7Si0.3O2/Ti阳极能有效去除废水中有机污染物;对中间产物的检测结果表明,硝基苯的降解是阴阳两极协同作用的结果。     

Photocatalytic property of surface-modified TiO<Subscript>2</Subscript> nanobelts under visible light irradiation

A novel plasmonic photocatalyst, i.e., acid-etched TiO₂ nanobelts attached with Ag/AgI nanoparticles (NPs) was prepared by deposition–precipitation-photoreduction method. Such surface-modified nanobelts had larger area than the normal one. Ag NPs were formed from AgI by photo-reduction under Xenon lamp irradiation. X-ray diffraction, scanning electron microscopy analysis, UV–Vis diffuse reflectance spectra and fluorescence spectra were used to characterize the structure and optical properties of the sample. The obtained sample exhibited strong photodegradation of methyl orange (MO) under visible light irradiation, which were attributed to both the surface plasmon resonance of Ag NPs and the visible light actived AgI. The photodegradation was accomplished by the transfer of photoexcited electrons from the Ag NPs to the acid-etched TiO₂ nanobelts. After four cycles of photodegradation the photocatalyst was still stable. This novel photocatalyst had a high potential application in wastewater-treatment and biomedical engineering.     

Operando X-ray absorption and EPR evidence for a single electron redox process in copper catalysis

An unprecedented single electron redox process in copper catalysis is confirmed using operando X-ray absorption and EPR spectroscopies. The oxidation state of the copper species in the interaction between Cu(ii) and a sulfinic acid at room temperature, and the accurate characterization of the formed Cu(i) are clearly shown using operando X-ray absorption and EPR evidence. Further investigation of anion effects on Cu(ii) discloses that bromine ions can dramatically increase the rate of the redox process. Moreover, it is proven that the sulfinic acids are converted into sulfonyl radicals, which can be trapped by 2-arylacrylic acids and various valuable β-keto sulfones are synthesized with good to excellent yields under mild conditions.