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Thermal Decomposition of Ammonium 3-Nitro-1,2,4-triazol-5-onate Monohydrate 3-硝基-1,2,4-三唑-5-酸一水合物铵的热分解
IF 3.1 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2008-11-01 DOI: 10.1016/S1005-9040(09)60028-3
Ji-zhen LI , Xue-zhong FAN , Jiao-qiang ZHANG , Guo-fang ZHANG , Bo-zhou WANG

The thermal decomposition of ammonium 3-nitro-1,2,4-triazol-5-onate monohydrate[NH4(NTO)·H2O] was studied by means of thermal analysis-MS coupling and the combination technique of in situ thermolysis cell with rapid-scan Fourier transform infrared spectroscopy. The results show that there are two endothermic steps and one exothermic step in the decomposition process of NH4(NTO)·H2O. The detected gas products consist of NH3, H2O, N2, CO2, CO, and NO2.

采用热分析-质谱联用、原位热分解池与快速扫描傅里叶变换红外光谱相结合的方法研究了3-硝基-1,2,4-三唑-5-酸铵一水合物[NH4(NTO)·H2O]的热分解过程。结果表明,NH4(NTO)·H2O的分解过程分为两个吸热步骤和一个放热步骤。检测到的气体产物包括NH3、H2O、N2、CO2、CO和NO2。
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引用次数: 1
Preparation and Magnetic Property of La0.7Sr0.3MnO3 Nanorod by Combination Sol-Gel with Molten Salt 溶胶-凝胶-熔盐复合法制备La0.7Sr0.3MnO3纳米棒及其磁性能
IF 3.1 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2008-11-01 DOI: 10.1016/S1005-9040(09)60003-9
Shu-yan QI, Jing FENG, Xiao-dong XU, Jing-ping WANG, Xiang-yu HOU, Mi-lin ZHANG

La0.7Sr0.3MnO3(LSMO) nanorods were synthesized by a method combining sol-gel with molten salts at 950 °C for 10 h, which employed KCl+NaCl(mass ratio 4:1) as eutectic molten salts. The morphologies and magnetic properties of the resulting LSMO nanorods were investigated by X-ray diffraction(XRD), scanning electron microscopy(SEM), transmission electron microscopy(TEM), and vibrating sample magnetometer(VSM) measurements. It was found that the obtained perovskite manganite LSMO was a uniform nanorod with a diameter of about 50 nm and a length of longer than 500 nm. The Curie temperature(Tc) of the LSMO nanorod used here was 262 K, much lower than that of bulky single crystal LSMO(360 K). The low Curie temperature might be a result of the great disorder near the grain boundary, which could be observed clearly from the TEM picture.

以KCl+NaCl(质量比4:1)为共晶熔盐,采用溶胶-凝胶法制备La0.7Sr0.3MnO3(LSMO)纳米棒,温度为950℃,反应时间为10 h。通过x射线衍射(XRD)、扫描电子显微镜(SEM)、透射电子显微镜(TEM)和振动样品磁强计(VSM)测量研究了所得LSMO纳米棒的形貌和磁性能。结果表明,所制得的钙钛矿锰矿LSMO为直径约50 nm、长度大于500 nm的均匀纳米棒。本文所制备的LSMO纳米棒的居里温度(Tc)为262 K,远低于体积较大的单晶LSMO(360 K),其居里温度低可能是由于晶界附近的无序造成的,这一点从TEM图中可以清楚地观察到。
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引用次数: 2
Fabrication of Poly(4-vinylpyridine) Nanofiber and Fluorescent Poly(4-vinylpyridine)/Porphyrin Nanofiber by Electrospinning 静电纺丝法制备聚(4-乙烯基吡啶)纳米纤维及荧光聚(4-乙烯基吡啶)/卟啉纳米纤维
IF 3.1 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2008-11-01 DOI: 10.1016/S1005-9040(09)60014-3
Yan SONG , Nai-qian ZHAN , Miao YU , Qing-biao YANG , Chao-qun ZHANG , Heng-guo WANG , Yao-xian LI

Poly(4-vinylpyridine)(P4-VP) nanofiber and fluoresent poly(4-vinylpyridine)/porphyrin(P4-VP/TPPA) nanofiber were respectively prepared by electrospinning. The effect of the concentration of P4-VP/dimethylformamide (DMF) electrospinning solutions on the morphology of P4-VP nanofiber was investigated and it was found that the average diameter of the nanofiber of P4-VP/DMF increased with the increase of the concentration of the spinning solution. After the addition of TPPA to the P4-VP/DMF spinning solution, the diameter of P4-VP/TPPA nanofiber became even due to the increase of the conductivity of the P4-VP/DMF-TPPA solution. The photoluminescent(PL) spectral analysis indicates that the emission peak position of P4-VP/TPPA nanofiber is almost the same as that of pure TPPA at about 650 nm without peak shift, and when it was stored for 20 days, the emission peak of P4-VP/TPPA nanofiber is also at 650 nm, indicating that the fluorescent property of P4-VP/TPPA nanofiber is stable. Fourier-transform infrared(FTIR) spectrum confirms the chemical composition of the resulting P4-VP/TPPA composite nanofiber.

采用静电纺丝法分别制备了聚4-乙烯基吡啶(P4-VP)纳米纤维和荧光聚4-乙烯基吡啶/卟啉(P4-VP/TPPA)纳米纤维。的浓度的影响P4-VP /二甲基甲酰胺(DMF)电纺的解决方案P4-VP形态的纳米纤维研究和发现P4-VP / DMF的纳米纤维的平均直径增加随着纺丝溶液的浓度的增加。在P4-VP/DMF纺丝溶液中加入TPPA后,由于P4-VP/DMF-TPPA溶液电导率的增加,P4-VP/TPPA纳米纤维的直径变得均匀。光致发光(PL)光谱分析表明,P4-VP/TPPA纳米纤维的发射峰位置与纯TPPA几乎相同,在650 nm左右,无峰移,并且在储存20天后,P4-VP/TPPA纳米纤维的发射峰也在650 nm处,说明P4-VP/TPPA纳米纤维的荧光性能稳定。傅里叶变换红外(FTIR)光谱证实了P4-VP/TPPA复合纳米纤维的化学成分。
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引用次数: 4
Asymmetric Synthesis of (R)- and (S)-Moprolol (R)-和(S)-莫洛尔的不对称合成
IF 3.1 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2008-11-01 DOI: 10.1016/S1005-9040(09)60020-9
Zhao-yang WANG , Yan WANG , Li-wen SUN , Jin-tao ZHU

A simple and effective procedure for the enantioselective synthesis of (R)- and (S)-Moprolol was described. The key step was the asymmetric synthesis of enantiopure (R)- and (S)-guaifenesin, which were synthesized from enantioenriched (R)-3-chloro-1,2-propanediol and (S)-epichlorohydrin via kinetics of hydrolysis resolution of racemic epichlorohydrin by chiral Salen-CoIII complex. The e.e. values of both the optical compounds were above 98%, and the chemical structures of the target compounds were confirmed by 1H NMR, 13C NMR, IR, and MS.

介绍了一种简单有效的对映选择性合成(R)-和(S)-莫洛尔尔的方法。通过手性Salen-CoIII配合物水解外消旋环氧氯丙烷的动力学反应,以对映富集的(R)-3-氯-1,2-丙二醇和(S)-环氧氯丙烷为原料合成了对映纯(R)-和(S)-愈创甘油醚。两种光学化合物的e - e值均在98%以上,目标化合物的化学结构通过1H NMR、13C NMR、IR和MS得到了证实。
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引用次数: 3
Determination of Acetonitrile Volume Fraction in Mobile Phase by HPLC 高效液相色谱法测定流动相中乙腈体积分数
IF 3.1 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2008-11-01 DOI: 10.1016/S1005-9040(09)60008-8
Yi WU , Zhi-wu WANG , Jing-kai GU , Ying-wu WANG

This paper reports the development and validation of an assay for the determination of acetonitrile in the recycled mobile phase using high performance liquid chromatography(HPLC). The method is based on that the retention in reversed-phase liquid chromatography increases with decreasing concentration of organic phase in the mobile phase. The natural logarithm of the capacity ratio for a given solute is linearly related to the volume fraction of the organic modifier in the mobile phase. For dimethylphthalate and diethylphthalate, the linearity range is 30%–60%, and for biphenyl and terphenyl, the range is 60%–95%. Precision values(RSD) were both <1% and the accuracy(RE) was in the range of ±1%. The assay was successfully applied to the determination of acetonitrile concentration of recycled mobile phase after the distillation of the column eluent in our laboratory.

本文报道了一种高效液相色谱法测定循环流动相中乙腈的方法的建立和验证。该方法是基于反相液相色谱的保留随着流动相中有机相浓度的降低而增加。给定溶质的容量比的自然对数与有机改性剂在流动相中的体积分数呈线性关系。对于邻苯二甲酸二甲酯和邻苯二甲酸二乙酯,线性范围为30%-60%,对于联苯和terphenyl,线性范围为60%-95%。精密度(RSD)均为±1%,准确度(RE)在±1%范围内。本实验成功地应用于柱状洗脱液蒸馏后循环流动相乙腈浓度的测定。
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引用次数: 4
Quantitative Analysis of Berberine in Processed Coptis by Near-Infrared Diffuse Reflectance Spectroscopy 近红外漫反射光谱法定量分析炮制黄连中的小檗碱
IF 3.1 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2008-11-01 DOI: 10.1016/S1005-9040(09)60013-1
Yong ZHANG , Yun-fei XIE , Feng-rui SONG , Zhi-qiang LIU , Qian CONG , Bing ZHAO

The near-infrared(NIR) diffuse reflectance spectroscopy was used to study the content of Berberine in the processed Coptis. The allocated proportions of Coptis to ginger, yellow liquor or Evodia rutaecarpa changed according to the results of orthogonal design as well as the temperature. For as withdrawing the full and effective information from the spectral data as possible, the spectral data was preprocessed through first derivative and multiplicative scatter correction(MSC) according to the optimization results of different preprocessing methods. Firstly, the model was established by partial least squares(PLS); the coefficient of determination (R2) of the prediction was 0.839, the root mean squared error of prediction(RMSEP) was 0.1422, and the mean relative error(RME) was 0.0276. Secondly, for reducing the dimension and removing noise, the spectral variables were highly effectively compressed via the wavelet transformation(WT) technology and the Haar wavelet was selected to decompose the spectral signals. After the wavelet coefficients from WT were input into the artificial neural network(ANN) instead of the spectra signal, the quantitative analysis model of Berberine in processed Coptis was established. The R2 of the model was 0.9153, the RMSEP was 0.0444, and the RME was 0.0091. The values of appraisal index, namely R2, RMSECV, and RME, indicate that the generalization ability and prediction precision of ANN are superior to those of PLS. The overall results show that NIR spectroscopy combined with ANN can be efficiently utilized for the rapid and accurate analysis of routine chemical compositions in Coptis. Accordingly, the result can provide technical support for the further analysis of Berberine and other components in processed Coptis. Simultaneously, the research can also offer the foundation of quantitative analysis of other NIR application.

采用近红外漫反射光谱法研究黄连炮制品中小檗碱的含量。黄连与姜、黄液、吴茱萸的配比随正交试验结果及温度的变化而变化。为了尽可能从光谱数据中提取充分有效的信息,根据不同预处理方法的优化结果,对光谱数据进行一阶导数和乘法散射校正(MSC)预处理。首先,利用偏最小二乘法(PLS)建立模型;预测的决定系数(R2)为0.839,预测均方根误差(RMSEP)为0.1422,平均相对误差(RME)为0.0276。其次,为了降维和去噪,利用小波变换技术对光谱变量进行高效压缩,选择Haar小波对光谱信号进行分解;将小波变换后的小波系数代替光谱信号输入到人工神经网络中,建立了黄连中小檗碱的定量分析模型。模型的R2为0.9153,RMSEP为0.0444,RME为0.0091。评价指标R2、RMSECV和RME的取值表明,人工神经网络的泛化能力和预测精度均优于PLS,综合结果表明,近红外光谱结合人工神经网络可有效地用于黄连中常规化学成分的快速、准确分析。该结果可为黄连中小檗碱等成分的进一步分析提供技术支持。同时,该研究也可为其他近红外应用的定量分析提供基础。
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引用次数: 8
Synthesis of Heterocycle Compounds Containing Two Pyridazinone Units 含两个吡嗪酮单元的杂环化合物的合成
IF 3.1 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2008-11-01 DOI: 10.1016/S1005-9040(09)60018-0
Bing-wei XIN

Four novel compounds containing two pyridazinone units attached to one benzene or pyridine ring, protected and deprotected 1,5-di[3(2H)-pyridazinon-6-yl]benzene and 2,6-di[3(2H)-pyridazinon-6-yl]pyridine were synthesized in eight steps, which provided a useful method for the preparation of pyridazinone derivatives via the Stetter and cyclization reactions. Their structures were characterized by 1H NMR, 13C NMR, and HRMS.

通过8步合成了4种新型化合物,其中2个吡嗪酮单元与1个苯或吡啶环相连,分别为保护和去保护的1,5-二[3(2H)-吡嗪酮-6-基]苯和2,6-二[3(2H)-吡嗪酮-6-基]吡啶,为通过Stetter反应和环化反应制备吡嗪酮衍生物提供了有益的方法。通过1H NMR、13C NMR和HRMS对其结构进行了表征。
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引用次数: 0
Inhibition Mechanism of Cholinesterases by Carbamate: A Theoretical Study 氨基甲酸酯对胆碱酯酶抑制机制的理论研究
IF 3.1 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2008-11-01 DOI: 10.1016/S1005-9040(09)60026-X
Yuan YAO, Ze-sheng LI

The density functional theory at the B3LYP/6-311 G(d, p) level was applied to exploring the inhibition mechanism of cholinesterases by carbamate. The results indicate that the inhibition reactions with or without the catalytic effect of the catalytic triad in cholinesterases underwent a two-step addition-elimination mechanism, which is in good agreement with the proposed mechanism. The solvent has a strong effect on the inhibition reactions and the reaction with the catalytic triad in the solvent phase is close to the real reaction under biological condition.

应用B3LYP/6-311 G(d, p)水平的密度泛函理论探讨氨基甲酸酯对胆碱酯酶的抑制机制。结果表明,在有或没有催化作用的情况下,胆碱酯酶的抑制反应都经历了两步加-消机制,这与所提出的机理一致。溶剂对抑制反应有较强的影响,溶剂相中与催化三元体的反应接近于生物条件下的真实反应。
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引用次数: 2
Regioselective Deprotection of 1,3-Dibenzyl-5-(N,N-dimethylamino)-6-phenylethyluracil 1,3-二苄基-5-(N,N-二甲氨基)-6-苯乙基尿嘧啶的区域选择性脱保护
IF 3.1 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2008-11-01 DOI: 10.1016/S1005-9040(09)60017-9
A-min LI , Xiao-wei WANG , Zhi-li ZHANG , Zhi-jian CHENG , Jun-yi LIU

The deprotection of 1,3-dibenzyl-5-(N,N-dimethylamino)-6-phenyl-ethyluracil I was investigated. A practical, regioselective N3 deprotection of compound I was performed with excellent yield using cyclohexene as a hydrogen donor.

研究了1,3-二苯基-5-(N,N-二甲氨基)-6-苯基乙基尿嘧啶I的脱保护作用。以环己烯为给氢体,对化合物I进行了实际的、区域选择性的N3脱保护,收率高。
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引用次数: 0
Preparation of Nicotinic Acid from Oxidation of 3-Picoline with Oxygen Under Catalysis of T(o-Cl)PPMn T(o-Cl)PPMn催化氧氧化3-吡啶制备烟酸
IF 3.1 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2008-11-01 DOI: 10.1016/S1005-9040(09)60019-2
Jin-quan BAI, Qi-chang WANG, Yun HU, Feng-yan GUO

The oxidation of 3-picoline to nicotinic acid took place efficiently in an ethanol solution with O2 as the oxidant under the catalysis of T(o-Cl)PPMn at 40—150 °C and 0.5—3.0 MPa oxygen pressure. The influences of temperature, oxygen pressure, reaction time, concentration of 3-picoline, concentration of sodium hydroxide, and concentration of T(o-Cl)PPMn catalyst, etc. on the production of nicotinic acid were investigated. The results show that T(o-Cl)PPMn presented excellent catalytic activity in the oxidation of 3-picoline to nicotinic acid and the yield of nicotinic acid varied greatly with the reaction temperature, oxygen pressure, T(o-Cl)PPMn concentration, etc.

在40 ~ 150℃、0.5 ~ 3.0 MPa氧压条件下,以氧为氧化剂的乙醇溶液中,在T(o-Cl)PPMn的催化下,3-吡啶高效氧化制烟酸。考察了温度、氧压、反应时间、3-吡啶浓度、氢氧化钠浓度、T(o-Cl)PPMn催化剂浓度等因素对烟酸合成的影响。结果表明,T(o-Cl)PPMn在3-吡啶氧化制烟酸过程中表现出优异的催化活性,烟酸的产率随反应温度、氧压、T(o-Cl)PPMn浓度等因素变化较大。
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引用次数: 1
期刊
Chemical Research in Chinese Universities
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