3-氨基环己基甲酸和cis-3-氨基环己烯基-5-甲酸立体异构体的合成

通过手性胺拆分方法，从3-环己烯基甲酸出发分别合成得到了3-氨基环己基甲酸（ACHC）的四个立体异构体，以及cis-5-氨基-3-环己烯基甲酸（ACHEC）的二个立体异构体。     

New efficient organocatalytic oxidation of benzylic compounds by molecular oxygen under mild conditions

Efficient aerobic oxidation of benzylic compounds has been achieved under no irradiation using a new organocatalytic system in the presence of acridine yellow and N-hydroxyphthalimide with assistance of a catalytic amount of molecular bromine. Various substrates, especially alkylaromatics, were effectively oxygenated to the corresponding carbonyl compounds with molecular oxygen as oxidant under mild conditions. For instance, indan was oxidized with 92% conversion and 79% selectivity for 1-indanone under 0.3 MPa of O₂ at 75 °C.     

Organic phase conversion of bulk (wurtzite) ZnO to nanophase (wurtzite and zinc blende) ZnO

We describe the all-organic phase conversion of bulk commercial ZnO in the wurtzite modification to sub-30 nm ZnO that we find to be partially in the zinc blende [, a=4.568(3) Å] modification. The conversion involves refluxing ZnO in 2,4-pentanedione (acetylacetone) at 413 K to form the zinc 2,4-pentanedionate, which is decomposed by heating at 573 K in an appropriate high-temperature solvent such as dibenzylether to form nanophase ZnO. This nanophase, partially zinc blende ZnO can also be obtained in a single step by heating commercial zinc 2,4-pentanedionate in refluxing dibenzylether. Thermodiffractometry suggests that the conversion of zinc blende ZnO to wurtzite ZnO commences near 650 K.     

Inhibition of the toxic byproduct during photocatalytic NO oxidation via La doping in ZnO

It is of a great challenge to develop semiconductor photocatalysts with potential possibilities to simultaneously enhance photocatalytic efficiency and inhibit generation of toxic intermediates.In this study,we developed a facile method to induce the La doping and cationic vacancie(V(Zn))on ZnO for the highly efficient complete NO oxidation.The photocatalytic NO removal efficiency increases from 36.2%to 53,6%.Most importantly,a significant suppressed NO2 production also has been realized.According to the DFT calculations,ESR spectra and in situ FTIR spectra,the introduction of La^3+induce the redistribution of charge carriers in La-ZnO,which promote the production of·O2^- and lead to the formation of V(Zn)for the formation of·OH,contributing to the complete oxidation of NO to nitrate.Besides,the conversion pathway of photocatalytic NO oxidation has been elaborated,This work paves a new way to simultaneously realize the photocatalytic pollutants removal and the inhibition of toxic intermediates generation for efficient and safe air purification.     

球状蛋白质分子中氨基酸紧密接触对性质的研究

采用CSU软件 (Contactsofstructuralunits) ,对 61种球状蛋白质分子中氨基酸紧密接触对 (Residue residuecontact)进行了研究 .重点研究了不同氨基酸在形成远程紧密接触对 (Long rangecontact)和近程紧密接触对 (Short rangecontact)时的不同能力 .发现氨基酸Leu,Val,Ile,Met,Phe,Tyr,Cys,Trp(疏性氨基酸 ,H)比较容易形成远程紧密接触对 ,氨基酸Glu,Gln ,Asp ,Asn,Lys,Ser,Arg,Pro(亲水氨基酸 ,P)比较难形成远程紧密接触对 ,而氨基酸Ala,Gly,Thr,His(中性氨基酸 ,N)在形成远程紧密接触对时能力一般 .它们平均每个氨基酸可形成 6 0 3 ,3 64和 4 43个远程紧密接触对 .同时它们在形成近程紧密接触对时能力非常接近 ,平均每个氨基酸可形成的近程紧密接触对数目在 2 3 4～ 2 85变化 ,差别非常小 .亲水氨基酸 (P) ,中性氨基酸 (N)和疏水性氨基酸 (H)在蛋白质分子结构稳定性上起着不同的作用     

硫酸氢钠催化合成己酸异戊酯的研究

己酸异戊酯是应用最广泛的食用香料之一。通常它是在硫酸催化下由己酸和异戊醇酯化反应而得[1] ,硫酸虽然活性高 ,价廉 ,但选择性差 ,产品质量不好 ,设备腐蚀严重 ,同时产生大量废液 ,污染环境。已发现对甲苯磺酸、磺酸树脂、固体超酸、杂多酸、氯化铁以及过渡金属硫酸盐等均可作为酯化反应的优良催化剂[2～ 7] 。本文探讨了硫酸氢钠催化羧酸的酯化反应 ,结果发现它具有良好的催化性能 ,且后处理方便 ,无污染。1　实验部分在装有分水器、温度计和回流冷凝器的四颈烧瓶中 ,加入一定量分析纯的己酸、异戊醇、甲苯和催化剂硫酸氢钠 (ＮａＨＳＯ…     

破碎-絮凝法分离细长碳纳米管与碳纤维

根据碳纤维与细长碳纳米管耐磨性能与絮凝沉降性能的差异，提出了一种有效分离细长碳纳米管与碳纤维的物理方法——破碎-絮凝法.该方法包括研磨破碎、液相分散、絮凝沉降、过滤分离等步骤，可高效去除混杂于细长碳纳米管样品中的碳纤维，同时还可去除螺旋状碳纤维及细小碳颗粒等易悬浮杂质.纯化过程对细长碳纳米管无损伤.用电子显微镜和热重分析表征了纯化效果，并初步分析了纯化机理.     

西印度蔗螟聚集信息素次要组份合成方法的改进

2-甲基-4-庚醇和2-甲基-4-辛醇是西印度蔗螟(Metamasiushemipterus)聚集信息素的次要组份，本文以天然产物(S)-亮氨酸为原料合成出了2-甲基-4-庚醇及2-甲基-4-辛醇的所有对映异构体，其关键步骤是由(2S)-4-甲基-1,2-戊二醇合成出(2S)和(2R)-4-甲基-1,2-环氧戊烷两种重要中间体，目标产物光学纯度可达95%以上。     

Density functional study of HO(H2O)n (n = 1–3) clusters

The hydrogen bonding complexes HO(H₂O)_n (n = 1–3) were completely investigated in the present study using DFT and MP2 methods at varied basis set levels from 6‐31++G(d,p) to 6‐311++G(2d,2p). For n = 1 two, for n = 2 two, and for n = 3 five reasonable geometries are considered. The optimized geometric parameters and interaction energies for various complexes at different levels are estimated. The infrared spectrum frequencies and IR intensities of the most stable structures are reported. Finally, thermochemistry studies are also carried out. The results indicate that the formation and the number of hydrogen bonding have played an important role in the structures and relative stabilities of different complexes. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005     

XPS analysis of the effect of Pt addition to Pd catalysts for complete benzene oxidation

Pt-Pd bimetallic catalysts were prepared in order to develop and investigate catalysts having excellent activity and stability for benzene destruction. The effect of Pt addition to Pd catalysts is studied by XPS analysis. This revised version was published online in August 2006 with corrections to the Cover Date.