第二代氨合成催化体系——钌系氨合成催化剂及其工业应用*

本文综述了第二代氨合成催化体系——钌系氨合成催化剂的研制、开发及工业应用情况。介绍了钌系氨合成催化剂的载体、促进剂、钌活性前身物对氨合成催化活性的影响。比较了钌系氨合成催化剂与铁系氨合成催化剂的反应机理与性能特点。新型氨合成催化工艺流程的成功开发为钌系氨合成催化剂的工业应用提供了有力的保障。     

硫脲及其席夫碱衍生物合成与应用研究进展

硫脲类化合物因其独特的分子结构、良好的理化性能以及广泛的生物活性,在材料、医药、农药和配位催化等领域有重要的应用。因而其合成方法受到广泛关注。近年来,微波合成、超声波合成、无溶剂合成、离子液合成、相转移催化合成等一系列高效、绿色的合成方法在硫脲类化合物的合成中得到广泛的应用。结合本课题组的研究成果,本文着重综述了硫脲和席夫碱类化合物的合成方法及其应用,并对今后的研究方向进行了展望。     

微波合成SrTiO3的工艺、结构与性能研究

应用微波会成这一材料合成新方法制备SrTiO3，研究了不同工艺条件下微波合成产物的结构，确定出制备纯净SrTiIO。的合成条件．对微波合成的工艺及其影响因素进行详细的探索，从合成产物的显微结构、粒度分布、比表面积、烧结性能等方面比较了微波合成与常规固相合成的差别，结果表明微波合成与各种常规方法相比有合成时间短、合成工艺简单、合成产物性能好等特点，是一种有发展潜力的材料合成技术．     

药物中间体电合成技术的研究与应用

综述了药物中间体电合成技术的研究，从直接电合成、间接电合成、成对电合成及超声电合成法四个方面介绍了电合成技术在药物中间体合成中的应用。参考文献43篇。     

抗肿瘤药物仑伐替尼合成研究进展

综述了仑伐替尼及其相关主要中间体的合成方法。首先对仑伐替尼逆合成分析,并着重讨论了喹啉环(原料1)以及终产物仑伐替尼的合成。原料1有四种合成方法,对这四种合成方法进行了详细对比与分析,指出第二种合成方法为最佳合成方法。总结了仑伐替尼最常用的两条合成路线并分析优缺点,第一条路线是汇聚式路线,反应时间短、能耗少、成本低、收率高,相比第二条路线更加适合工业化生产。     

肉桂酸的逆合成分析、合成设计及实验制备——一次设计型实验课的探索

以肉桂酸为目标产物,通过逆合成分析、合成设计,采用不同的实验方法合成制备,介绍了水相Heck反应、无溶剂Perkin反应、水相Wittig反应、水相Knoevenagel反应,拓展了学生的合成设计思维。本实验涵盖了目标产物的合成、纯化与表征,让学生认识和完成了一个基本的科研过程,提高了学生的综合能力。     

绿色合成--21世纪的有机合成

绿色合成,作为当代有机合成发展的一个重要学科前沿,已成为化学发展的一个方向.从催化剂、绿色溶剂、合成手段、合成方法、计算机辅助绿色合成等方面综述了近年来国内外实现绿色合成的有效途径,并对绿色合成的目标进行了探讨.参考文献35篇.     

高分子材料的微波辅助合成研究进展

微波加热以其省时、高效、清洁环保的显著优势而使微波辅助合成成为一种广受欢迎的合成技术。高分子材料的传统合成反应时间长、耗能大。将微波辐射应用于高分子材料的合成可缩短反应时间、降低反应能耗,已成为有机合成领域的研究热点。本文简要综述了微波辅助合成技术在工程材料高分子聚酰胺、聚酰亚胺、聚丙烯酸苄基酯以及在医用功能高分子、吸附功能高分子、导电功能高分子和光学功能高分子合成中的研究进展,并展望了微波辅助合成在高分子材料合成中的发展前景。     

β-氨基酸合成研究进展

综述了合成β-氨基酸的五种主要方法,包括化学拆分、手性色谱柱拆分、Arndt-Eistert反应、不对称合成和酶催化合成的最新研究进展,特别是近年来发展迅速的不对称合成和酶催化合成。参考文献90篇。     

绿色合成——2l世纪的有机合成

绿色合成，作为当代有机合成发展的一个重要学科前沿，已成为化学发展的一个方向。从催化剂、绿色溶剂、合成手段、合成方法、计算机辅助绿色合成等方面综述了近年来国内外实现绿色合成的有效途径，并对绿色合成的目标进行了探讨。参考文献35篇。     

Determination and study on residue and dissipation of benazolin-ethyl and quizalofop-p-ethyl in rape and soil

A QuEChERS (quick, easy, cheap, effective, rugged, and safe) method for the determination of benazolin-ethyl and quizalofop-p-ethyl in rape and soil by high-performance liquid chromatography-tandem mass spectrometry has been developed in this study. The residue and dissipation of benazolin-ethyl and quizalofop-p-ethyl in rape and soil were determined with the developed method. The half-lives of benazolin-ethyl in rape straw and soil were 3.7–5.1 days and 14.3–26.3 days, respectively. The half-lives of quizalofop-p-ethyl in rape straw and soil were 5.0-6.1 days and 0.3–9.7 days, respectively. The residue of benazolin-ethyl and quizalofop-p-ethyl in rapeseed and soil were below the detection limit (i.e., 0.5?mg?kg^?1, the maximum residue level of European Union for quizalofop-p-ethyl).     

微量元素与疾病诊断治疗的研究现状及展望

对国内外微量元素与疾病的关系及其诊断治疗的研究现状及研究动向进行了综述，包括：微量元素与地方病、癌肿、心血管病、糖尿病、眼病、神经系统病等。参考文献72篇。     

Ti-V基储氢合金及其氢化物的物相结构与组分优化设计

Ti-V基储氢合金在室温、常压下即可表现出良好的储氢特性,且质量储氢容量明显高于传统AB₅型储氢合金,从而在氢气的精制和回收、运输和储存及热泵等方面有较早的应用。 此外,在混合气体分离、核反应堆中处理氢的同位素、镍氢电池及燃料电池负极材料等方面也得到了广泛的研究与关注。 基于目前Ti-V基储氢合金的研究现状,概述了该类合金的优势、限制性因素(包括成因)及改性手段。 此外,为了进一步理解Ti-V基合金储氢机理、构建合金组分与储氢特性之间的对应关系,本工作重点围绕Ti-V基储氢合金及其氢化物的结构、组分优化设计展开综述,并对其未来研究方向做出展望。     

Synthesis and Optical and Redox Properties of Symmetric and Asymmetric BODIPYs

Herein, we present the synthetic route and the photophysical, electrochemical as well as laser properties of novel red‐emitting boron‐dipyrromethenes (BODIPYs) bearing arylethyne moieties. Such functionality is added along the main axis of the chromophore leading to single‐ and double‐substituted derivatives. The relationship between the dye structure and the lasing properties is studied in detail with the help of the photophysical and electrochemical properties as well as quantum mechanical simulations. The asymmetric substitution of the parent dye induces inhomogeneities in the charge distribution, which leads to an overall loss of the fluorescence capacity, mainly in polar media. Such non‐radiative deactivation processes can be softened by decreasing the electron‐donor ability of the substituent or even avoided by symmetrical substitution. Thus, grafting of the arylethyne moieties at the longitudinal axis of the indacene core results in an effective strategy to develop red‐edge BODIPYs with highly efficient and photostable laser emission.     

Molecular structure and vibrational raman and infrared spectra of bromochlorofluoromethane and its silicon and germanium analogs: quantum-mechanical DFT and MP2 calculations

DFT(B3LYP) and MP2 calculations with the 6-311G(2d, 2p)-type basis set have been carried out for the prediction of molecular parameters (bond distances, bond angles, rotational constants, and dipole moments) and vibrational Raman and infrared spectra (harmonic wavenumbers, absolute intensities, Raman scattering activities, and depolarization ratios) of bromochlorofluoromethane (HCBrCIF) and its silicon and germanium analogs (HSiBrClF and HGeBrCIF). The predicted geometry and vibrational Raman and infrared spectra of HCBrClF agree well with the available experimental data for this molecule and their deuterated derivatives. This agreement allows one to believe that the predicted molecular parameters and vibrational spectra of HSiBrClF, HGeBrClF, and their deuterated derivatives will guide their future experimental studies.     

Structures and Spectroscopic Properties of NaAs4 and Its Anions and Cations

The equilibrium geometries, vibrational frequencies, atomization energies, adiabatic electron separations, adiabatic detachment energies （ADE）, and adiabatic ionization potentials of the low-lying electronic states for the NaAs4 clusters and its ions were investigated employing the DFT method, and then compared with the photoelectron spectra. According to the computed results, reasonable assignments for the photoelectron spectra of NaAs4^- were suggested.     

Ferrocene and ferrocenium modified clays and their styrene and EVA composites

In this work, ferrocene- and ferrocenium-containing salts were employed to modify montmorillonite. X-ray measurements show an increase in the interlayer spacing upon clay modification, which means that the larger and more organophilic cations were inserted into the gallery space of montmorillonite. Attempts to prepare nanocomposites of polystyrene and ethylene vinyl acetate copolymers lead to immiscible systems; the morphology of these systems was elucidated with TEM, XRD and cone calorimetry. The thermal stability of the composites is greater than that of the virgin polymer.     

Synthesis of Tyrosol and Hydroxytyrosol Glycofuranosides and Their Biochemical and Biological Activities in Cell-Free and Cellular Assays

Tyrosol (T) and hydroxytyrosol (HOT) and their glycosides are promising candidates for applications in functional food products or in complementary therapy. A series of phenylethanoid glycofuranosides (PEGFs) were synthesized to compare some of their biochemical and biological activities with T and HOT. The optimization of glycosylation promoted by environmentally benign basic zinc carbonate was performed to prepare HOT α-L-arabino-, β-D-apio-, and β-D-ribofuranosides. T and HOT β-D-fructofuranosides, prepared by enzymatic transfructosylation of T and HOT, were also included in the comparative study. The antioxidant capacity and DNA-protective potential of T, HOT, and PEGFs on plasmid DNA were determined using cell-free assays. The DNA-damaging potential of the studied compounds for human hepatoma HepG2 cells and their DNA-protective potential on HepG2 cells against hydrogen peroxide were evaluated using the comet assay. Experiments revealed a spectrum of different activities of the studied compounds. HOT and HOT β-D-fructofuranoside appear to be the best-performing scavengers and protectants of plasmid DNA and HepG2 cells. T and T β-D-fructofuranoside display almost zero or low scavenging/antioxidant activity and protective effects on plasmid DNA or HepG2 cells. The results imply that especially HOT β-D-fructofuranoside and β-D-apiofuranoside could be considered as prospective molecules for the subsequent design of supplements with potential in food and health protection.     

离子的极化和形变

离子的极化和形变是无机化学教学中的一对重要概念,这对概念可以用于解释化合物的结构及许多物理和化学性质。然而一些教科书在介绍这对概念时,大都把极化作用限于阳离子,把形变作用限于阴离子,而忽略了阴离子的极化作用和阳离子的形变作用。同时,在应用这对概念解释化合物结构和性质时,条理上也不十分清晰,甚至还出现自相矛盾的情况,使得学生在学习这对概念时感到困惑。本文介绍了离子的极化和形变这对概念的基本含义,讨论了影响极化能力和形变程度的因素,分析了一些化合物的结构以及溶解度、颜色和热稳定性等物理和化学性质。特别是对一些教学中有争议的问题给出了合理解释。在分析小分子结构时,极化和形变概念的运用可以弥补杂化轨道理论和价层电子对互斥理论的不足。     

Mono- and Dinitro-BN-Naphthalenes: Formation and Characterization

Mono- and dinitro-BN-naphthalenes, i.e., 1-nitro-, 3-nitro-, 1,6-dinitro-, 3,6-dinitro-, and 1,8-dinitro-BNN, were generated in the nitration of 9,10-BN-naphthalene (BNN), a boron–nitrogen (BN) bond-embedded naphthalene, with AcONO₂ and NO₂BF₄ in acetonitrile. The nitrated products were isolated and characterized by NMR, GC-MS, IR, and X-ray single crystallography. The effects of the nitration on the electron density and aromaticity of BNN were evaluated by B-11 NMR analysis and HOMA calculations.