The setereoselective preparation ofβ-keto esters using baker's yeast in the presence of rice wine koji

By the addition of rice wine koji,enhancement of the reactivity was observed for the baker's yeast reduction ofβ-keto esters into (S)-β-hydroxy esters with high enantiomeric purity (73-98%).     

Synthesis of aliphatic amidediol and used as a novel mixed plasticizer for thermoplastic starch

In this paper,aliphatic amidediol was synthesized and mixed with glycerol used as a plasticizer for preparing thermoplastic starch（AGPTPS）.The yield of aliphatic amidediol was 91%.FF-IR expressed that the mixture of aliphatic amidediol and glycerol formed stronger and stable hydrogen bond with starch molecules compared to the native cornstarch.By scanning electron microscope（SEM）native cornstarch granules were proved to transfer to a homogeneous continuous system.After being stored for a period time at room temperature,the mechanical properties of AGPTPS were also studied.As a mixed plasticizer,aliphatic amidediol and glycerol would be practical to extend TPS application scopes.     

Design,synthesis and antifungal activities in vitro of novel tetralin compounds

Novel chiral tetralin compounds were designed and synthesized, and their antifungal activities in vitro were tested. The results showed that all of target compounds had potent antifungal activities, and were stronger than that of control compounds tetrahydroisoquinolines. The binding model of lead molecules in the active site of CYP51 of Candida albicans showed that lead compound specifically interacted with the amino acids residues in the active site, without binding with the heme of CYP51, which was different from azole antifungal drugs. The present study might afford a novel lead molecule to develop non-azole CYP51 inhihitars of fungi.     

Synthesis and cytotoxic activity of novel curcumin analogues

Five novel curcumin analogues bearing different substituents at 4-position of phenyl group were synthesized. Their structures were confirmed by NMR and HRMS spectrum. Their cytotoxic activities against six tumor cell lines were tested by the standard MTT assay in vitro. The results indicated that four analogues （1A-1C, 1E） with solubilizing moieties showed selective potent cytotoxicity against HepG2, HeLa and CT26 cell lines, and analogue 1A and 1C exhibited more potent cytotoxicity than curcumin against CT26 cell line. It was suggested that introduction of appropriate substituents to 4-position of phenyl group might be a potential option for structural modification of curcumin.     

Formylation of N-arylpyrazole containing active amino group using Vilsmeier-Haack reaction

Two species of N-arylpyrazoles containing active amino group were synthesized.And formylations of N-arylpyazoles containing amino in different position of pyrazole rings using Vilsmeier-Haack reaction gave a series of useful pyrazole intermediates.The important features of this protocol were cheap materials,easy process,mild reaction conditions and good yield of products.     

Synthesis and study of MPNS/SMA nano-composite tanning agent

The radical polymerization of maleic anhydride（MA）,styrene（ST）with the vinyl groups introduced onto the surface of the nano-sized silica via solution polymerization method was developed.The methacryloxypropyl nano-sized silica（MPNS）was used as macromonomer and polymerized with maleic anhydride and styrene by initiating with BPO in toluene.The structure and properties of MPNS/SMA nano-composite were characterized by FT-IR spectra and TEM.Meanwhile,it was applied as tanning agent compared with the traditional styrene-maleic anhydride copolymer in leather.It was found that the applied leather had better quality characteristics with the addition of the nano-sized silica.     

异辛烷/正庚烷/乙醇三组分燃料着火的化学动力学模型

提出一个包括异辛烷、正庚烷和乙醇的三组分燃料的着火动力学模型, 该机理包括50 个组分和193 个反应. 通过路径分析和灵敏度分析, 给出了基础燃料在高低温条件下的不同反应路径和影响氧化过程的重要基元反应. 该机理预测的单组分(异辛烷、正庚烷、乙醇)燃料、双组分基础燃料和三组分燃料的点火延迟时间与实验值有很高一致性. 本文机理包含较少的组分数与反应数, 因而可适用汽油掺烧乙醇的多维计算流体动力学(CFD)数值模拟.     

一种计算水溶解度的经验加合模型的适用范围与局限

我们发展了一种用于预测有机小分子化合物水溶解度(logS)的经验方法XLOGS. 它本质上是一种加合模型, 采用83种原子/基团类型和3个校正因子作为模型的描述符.该方法还可以根据一个合适的参照分子的logS实验值来计算未知化合物的logS值. 我们将XLOGS模型在由4171个化合物组成的训练集上进行了参数化, 多元线性回归获得的相关系数R²和标准偏差SD分别为0.82和0.96单位. 将该训练集进一步分为仅含液体化合物和仅含固体化合物的两个子集. XLOGS模型在这两个子集上的回归结果显示前者优于后者(标准偏差分别为0.65单位和0.94单位). 还利用log1/S和logP(脂水分配系数)之间的差值来研究XLOGS方法在液体和固体化合物数据集上的表现. 研究结果表明: XLOGS等加合法模型更适合应用于这两者差值接近于0的化合物. 我们还将XLOGS和其他三种流行的logS计算模型(包括Qikprop, MOE-logS和ALOGPS)在一个含有132个类药化合物的独立测试集上进行了比较. 总体而言, 我们的研究结果为加合法模型在水溶解度预测方面的合理应用提供了指导.     

介孔氧化铝负载Ni-Co氧化物催化剂上丙烷氧化脱氢制丙烯

以非离子型三嵌段共聚物作为模板剂, 异丙醇铝为氧化铝的前驱物, 采用一锅法合成了一系列介孔氧化铝负载镍氧化物、钴氧化物以及镍-钴双金属氧化物催化剂, 并以介孔氧化铝为载体, 采用浸渍法制备了负载Ni-Co 氧化物催化剂. 采用N₂吸附-脱附、高分辨透射电镜(HRTEM)、X射线粉末衍射(XRD)、H₂程序升温还原(H₂-TPR)以及激光拉曼光谱(LRS)等技术对催化剂的结构与性质进行表征, 并考察了催化剂的丙烷氧化脱氢反应性能. 结果表明: 一锅法制备的各催化剂均有大的比表面积和规整的孔道结构, 且负载的金属氧化物高度分散; 而浸渍法制备的催化剂, 其载体的介孔结构被破坏并有Co₃O₄晶相生成. 在考察的催化剂中, 一锅法合成的介孔氧化铝负载Ni-Co 氧化物催化剂表现出最佳的丙烷氧化脱氢性能. 在450 °C、C₃H₈:O₂:N₂的摩尔比为1:1:4和空速(GHSV)为10000 mL·g^-1·h^-1条件下, 该催化剂上丙烯产率为10.3%, 远高于浸渍法制备的催化剂上所获得的丙烯产率(2.4%). 关联催化剂表征和反应结果, 讨论了催化剂结构与性能之间的关系.