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1.
采用全略微分重叠法计算了丁烯二酸及其酯类的量子化学参数,并对该类化合物的分子结构特征与抗菌活性间的关系进行了相关分析,结果表明,丁烯二酸及其酯类抗菌活性依分子疏水性能增强而提高,依分子内基团间作用力的增强而减小,随分子最低空轨道能量的降低,抗菌生物活性极显著上升(ρ<0.01),抗代谢性能显著增加(ρ<0.02)。α,β-不饱和羰基结构是该类化合物的抗菌功能域,其活性中心在β-碳和羰基氧。  相似文献   

2.
α,β-不饱和羰基化合物抗菌作用和机理的研究   总被引:1,自引:0,他引:1  
采用全略微分重叠法对丁烯二酸及其酯类的量子化学参数进行了计算,并对该类化合物的分子结构特征与抗菌活性间的关系进行了相关分析.结果表明,丁烯二酸及其酯类抗菌活性依分子流水性能增强而提高,依分子内基团间作用力的增强而降低;随分子最低空轨道能量的降低,抗菌生物活性极显著上升(p<0.01),抗代谢性能显著提高(p<0.02).α,β-不饱和羰基结构是该类化合物的抗菌功能域,其活性中心在β-碳和羰基氧。  相似文献   

3.
肉桂中醛、酸类化合物结构与抗菌活性的关系   总被引:3,自引:0,他引:3  
本文对肉桂醛、酸及其衍生物的抑菌效果进行了测定,对其量子化学参数进行了计算,并对这类化合物抗菌活性和分子化学结构之间的关系进行了相关分析。结果表明,该类化合物抑菌率EFPO、ELUMO和EHOMO的相关系数分别为一0.7814(p<0.05)、-0.7328(0.05<ρ<0.1)和0.6318(ρ>0.1)。该类化合物的抗菌活性中心原子可能是羰基氧、α-碳、β-碳,由这些原子组成的不饱和羰基共轭体系可能是抗菌剂的活性功能域.  相似文献   

4.
选取了35例RAU患者与30例正常对照,作锌、铁制剂辅助中草药雷公藤、丹参片治疗前后血清SOD、MDA的改变,实验组与对照组有显著性差异(P〈0.01),治疗前后对比又有显著性差异(P〈0.01)。而PEG-CIC的改变,实验组比对照组有显著性增高(P〈0.01),治疗前后对比又有显著性差异(P〈0.01)。  相似文献   

5.
在氢化钠存在下,用乙酰基二茂铁与正辛酸乙酯进行缩合反应,合成了标题化合物FeCOCH_2COC_7H_(15)(Fc=C_5H_5FeC_5H_4).X射线衍射测定其晶体学数据为:C_(20)H_(26)FeO_2,空间群P2_1/n,a=0.5790(1)nm,b=4.1634(4)nm,c=0.7635(1)nm,β=101.39(1)°,Z=4.最终的偏离因子R=0.050.结构分析表明,该化合物分子以烯醇式形式存在,通过分子内氢键,形成六元环,环中O…H氢键距离为0.146nm.β-二羰基中与正庚基相连接的羰基易于烯醇化。  相似文献   

6.
刘进兵  吴凤艳  王子厚 《化学通报》2015,78(12):1096-1101
鱼腥草素具广谱的抗菌活性,其药效团为β-醛酮结构。本文以对羟基苯乙酮为原料,通过Claisen缩合、加成、缩合得到12个芳香β-醛酮衍生物,所合成化合物经过红外、核磁、质谱进行了结构表征。对所合成的化合物进行了抑菌活性测试,初步构效关系表明,烷氧基胺席夫碱可能是活性基团,酮羰基的存在对提高抗菌活性有利,苯环上取代基对抗菌活性有重要影响。  相似文献   

7.
测定了70例皮肤接触砷(As)引起中毒症状的患者血清砷、谷丙转氨酶(ALT)、白细胞总数(WBC)及分类(DC)计数,结果显示患者除出现严重皮肤溃烂的临床症状外,血中嗜中性粒细胞明显增高,均值高于正常对照组,P〈0.01;血清砷含量均值为0.42μmol/L,显著高于正常对照组(x↑-〈0.01μmol/L),P〈0.01。说明人体皮肤对砷有很强的吸收能力,应尽量防止皮肤接触引起的类似中毒事件发生  相似文献   

8.
β┐二羰基化合物的电解氧化偶联反应朱洪友张成敏刘复初*(云南大学化学系昆明650091)关键词β-二羰基化合物,电氧化,偶联反应1997-06-04收稿,1997-12-10修回云南省应用基础研究基金资助项目在有机合成上,β-二羰基化合物的偶联是形成...  相似文献   

9.
对α-唑基-α-芳氧烷基频哪酮(芳乙酮)及其醇式衍生物的合成和生物活性进行了研究,合成了33个新型化合物,所有化合物的结构均经核磁共振和元素分析证实;初步的生物活性测试结果表明,该类化合物具有一定的杀菌活性和植物生长调节活性.  相似文献   

10.
在0.01mol/LKOH底液中(pH=11.7),用单扫示波极谱法可获得钙-芦丁络合吸附波,检出限为8.0×10-7mol/L.测得电活性络合物组成为Ca(Ⅱ)∶Rt=1∶2,条件稳定常数为β=4.8×1010.电极表面反应速率常数为ks=1.27s-1.  相似文献   

11.
多环芳二酐型聚酯亚胺膜的透气性能李悦生,丁孟贤,徐纪平(浙江大学高分子科学与工程研究所,杭州,310027)(中国科学院长春应用化学研究所)关键词聚醚酰亚胺,聚酯酰亚胺,膜,透气性通常的聚酰亚胺加工性能较差,在芳环二酐的苯环间引入醚键等柔性基团后,其...  相似文献   

12.
微量元素与疾病诊断治疗的研究现状及展望   总被引:8,自引:0,他引:8  
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。  相似文献   

13.
14.
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).  相似文献   

15.
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.  相似文献   

16.
朱劲波  马立群  梁飞  苗迎春  王立民 《应用化学》2015,32(11):1221-1230
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。  相似文献   

17.
钒与糖代谢及糖尿病   总被引:1,自引:0,他引:1  
微量元素钒作为生物体内必需元素,经证实有很重要的生理学功能,与机体糖代谢有十分密切的关系,且能降低糖尿病动物模型的高血糖,极有可能被开发为治疗糖尿病的药物。  相似文献   

18.
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.  相似文献   

19.
The monomeric ν(N—H) vibrations of various trisubstituted ureas of the R2UPh type and -thioureas of the R2TUPh type have been studied. The trans—out isomerism in the former and the trans—out—cis isomerism in the latter are discussed from the point of view of steric effect. The monomeric ν(N—H) vibrations of RPhUPh and RPhTUPh are also examined. The single band appearing in the spectrum of both ureas is characteristic of the cis form; this suggests the existence of phenyl—phenyl interaction (the stacking interaction proposed by Galabov et al. [10]). Behavior of ν(N—H) vibrations at several concentrations is shown to be clearly different in the three forms (trans, out and cis). The presence of the cis form is confirmed by solvent effect experiments.  相似文献   

20.
Incorporating enzymatic reactions into natural product synthesis can significantly improve synthetic efficiency and selectivity. In contrast to the increasing applications of biocatalytic functional-group interconversions, the use of enzymatic C−C bond formation reactions in natural product synthesis is underexplored. Herein, we report a concise and efficient approach for the synthesis of [7.7]paracyclophane natural products, a family of polyketides with diverse biological activities. By using enzymatic Friedel–Crafts alkylation, cylindrocyclophanes A and F and merocyclophanes A and D were synthesized in six to eight steps in the longest linear sequence. This study demonstrates the power of combining enzymatic reactions with contemporary synthetic methodologies and provides opportunities for the structure–activity relationship studies of [7.7]paracyclophane natural products.  相似文献   

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