A New Diterpene Acid from the Flowers of Heteropappus altaicus

A new compound, named heteraltaic acid was isolated from the flowers of Heteropappus altaicus (willd) Novopokr. The compound was elucidated as (5R, 6S, 8aS) -5-[2-(3-furyl) ethyl-5, 6, 8a-trimethyl-4a, 5, 6, 7, 8, 8a -hexahydro-l-naphthalenecarboxylic acid] by the combination of 1D and 2D NMR techniques (HSQC, HMBC) and X-ray analysis.     

聚乙撑二氧噻吩膜在氧化态的充电过程及电容研究

In this paper, the chronoamperometry was used to study the charging processes of polyethylenedioxythiophene (PEDOT) modified electrodes in the potential range where PEDOT was in the oxidized state. The results show that the charging behaviors of the PEDOT films are well agreed with the exhausted finite diffusion model. The dependence of the capacitance values of the films on potential and concentration of solution was also studied in this potential range.     

水溶性高聚物的研究进展

自八十年代初，水溶性高聚物再次成为高分子科学研究热点，评述了水溶性高聚物，特别是疏水缔合型改性水溶性高聚物的最新进展。     

含磺酸,羧酸双功能基树脂对混合氨基酸的分离性能研究

对苯乙烯-丙烯腈-二乙烯基苯(S/AN/DVB)交联共聚机理研究曾发现,丙烯腈作为第三单体,可使DVB竞聚率比在S/DVB共聚体系中降低,相互分离显著,从而有利于合成性能较好的离子交换树脂;本文在此基础上,将S/AN/DVB共聚体中的氰基水解成羧基来合成含磺酸、羧酸双功能基树脂,解决了前人研究中仅有50％的氰基水解成羧基的问题,并首次将这种树脂应用于混合氨基酸的分离。     

钼铁混合金属原子簇化合物[(η5-C5H5)4Mo4Fe2(μ3-S)5(CO)5]的合成和结构

(η~5-C_5H_5)_4Mo_4Fe_2(μ_3-S)_5(CO)_5 have been prepared from (η~5-C_5H_5)_2Mo_2(CO)_6 and Fe_8S_2(CO)_9 under toluene reflux for 14.5 hrs.The crystal and molecular structures of (η~5-C_5H_5)_4Mo_4Fe_2(μ_3-S)_5(CO)_5 were studied by X-ray structure analysis. The Crystallographic data are as follows: monoclinic, space group P2_1/n, unit cell: a=1.0589(4), b=1.7260(4), c=1.8963(4) nm, β=101.44(2)°, V=3.3967 nm, D_c=2.06 gcm~(-3) for Z=4, X-ray data were obtained over the range of 2°<2θ<50° via the ω-2θ scan mode with MoKα radiation on an Enraf-Nonius CAD4 diffractometer. The structure was solved by direct method (MULTAN) and refined by full matrix least-squares techniques for 3993 reflections with I>2σ(I), The final R=0.081. Figure 1 illustrates the configuration of the molecule (η~5-C_5H_5)_4Mo_4Fe_2(μ_3-S)_5(CO)_5, composing of a cubane-like (FeMo_3S_4) core and a trigonal pyramid (MoFe_2S) core, which linked by sharing Fe(1) atom.     

Total synthesis of (+)-kalkitoxin

The neurotoxic lipopeptide (+)-kalkitoxin was synthesized by a route which employed asymmetric organocopper conjugate addition followed by in situ enolate alkylation to install the anti,anti-1,2,4-trimethyl relationship of the toxin; the synthesis of kalkitoxin required sixteen steps and proceeded in 3% overall yield.     

Solar Photocatalytic Degradation of 4‐Chlorophenol in Kaolinite Catalysts

This research applies semiconductor photocatalysts, which are formed by metal ion exchange on the surface of kaolinite catalyst with cations, to the study of photocatalytic degradation of 4‐chlorophenol. The analysis results of catalyst properties shows that, after sintering at 400 °C, kaolinite catalyst has a particle size of between 10–100 nm indicating the nano level of synthesized catalysts. Under the same condition, kaolinite‐Ag/Zn catalyst works better in degradation efficiency than single kaolinite‐Ag and kaolinite‐Zn catalysts. Kaolinite‐Zn catalyst declines in degradation efficacy after 150 minutes and performs poorer than the other three types of kaolinite catalysts. In the experiments of different amounts of catalysts, when the concentration exceeds 0.1 wt%, utilization of light energy and degradation efficiency will be reduced due to shielding effect. When at different pH values, the higher the pH value, the more OH‐will be released and that is beneficial for reaction with substances and the increase of reaction rate. Finally multivariate analysis proves that there is one determining factor that influences the photocatalytic degradation of 4‐chlorophenol in kaolinite catalysts, named as “the factor with intermediates competition degree,” the one affecting the 4‐CP degradation at different weight percentages that is referred to as the “shielding effect factor.”     

Relativistic all electron configuration interaction calculation of ground and excited states of the gold hydride molecule

We present relativistic configuration interaction calculations with the spin-free no-pair hamiltonian on the gold hydride molecule, treating the ground state as well as the eleven lowest excited states. The calculations provide a picture of the bonding in theX ¹Σ⁺ ground state consistent with previous work on this species using four-component spinors: compared to non-relativistic calculations, the dipole moment is reduced by a factor of two, hybridization (and thus participation ofd orbitals at the bonding) is greatly enhanced, the bond length is shortened by 20 pm, and the dissociation energy is increased by 50%. Comparison of the spin-averaged potential curves of the excited states with experiment suggests a reinterpretation of theC ¹Σ⁺ as the 0⁺ fine structure component of 2³Π and the prediction of a weakly bound³Σ⁺ state with weak transitions to the ground state in the range of 2.9–3.1 eV.     

果蔬中L—抗坏血酸的示波计时电位K3Fe（CN）6滴定法研究

本文报导的方法是在南京大学高鸿教授研究的K_3Fe(CN)_6示波极谱滴定法(在PH8的K_2HPO_4—KH_2PO_4—KBr底液中,用0.04660mol/LK_3Fe(CN)_6标准溶液对纯抗坏血酸测定)的基础上,考虑到L—抗坏血酸(以下简称V_e)在碱性、中性介质中稳定性差,如用于V_e含量很微的果蔬测定,对结果影响大。本文改为H_2C_2O_4—KBr的酸性介质作底液,用     

结合三维静电势参数研究二取代苯的定量结构－疏水性关系

对含有常见取代基的92个二取代苯化合物进行了结构优化和静电势及其导出参数的计算,运用多元线性回归方法对化合物的疏水常数与分子的结构参数进行了关联.结果表明,分子表面负静电势的加和ΣV－S、分子空间内最负的静电势Vmin、表面最大静电势Vs,max以及分子体积V、极性表面积APS和分子的偶极密度μ/V这六个参数,可以很好地用于表达这些化合物疏水性与分子结构间的定量关系,而不用具体考虑分子中极性基团间的相互作用.用建立起来的QSPR(quantitative structure-property relationship)关系式对111个类似化合物的疏水性进行了预测,获得了满意的结果.