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911.
Liu Z Huang C Fan K Wei P Chen H Liu S Pei J Shi L Li B Yang K Liu Y Lai L 《Journal of chemical information and modeling》2005,45(1):10-17
The SARS coronavirus 3C-like proteinase is considered as a potential drug design target for the treatment of severe acute respiratory syndrome (SARS). Owing to the lack of available drugs for the treatment of SARS, the discovery of inhibitors for SARS coronavirus 3C-like proteinase that can potentially be optimized as drugs appears to be highly desirable. We have built a "flexible" three-dimensional model for SARS 3C-like proteinase by homology modeling and multicanonical molecular dynamics method and used the model for virtual screening of chemical databases. After Dock procedures, strategies including pharmocophore model, consensus scoring, and "drug-like" filters were applied in order to accelerate the process and improve the success rate of virtual docking screening hit lists. Forty compounds were purchased and tested by HPLC and colorimetric assay against SARS 3C-like proteinase. Three of them including calmidazolium, a well-known antagonist of calmodulin, were found to inhibit the enzyme with an apparent K(i) from 61 to 178 microM. These active compounds and their binding modes provide useful information for understanding the binding sites and for further selective drug design against SARS and other coronavirus. 相似文献
912.
离子色谱法测定甘草提取物中草酸的含量 总被引:3,自引:0,他引:3
建立了用离子色谱测定甘草提取物中残留草酸含量的新方法。选用DionexIonPacAS11-HC阴离子分析柱(250mm×4mmi.d.),淋洗液为18mmol/LNaOH溶液,流速为1.0mL/min,抑制电导检测器检测。草酸色谱峰面积(Y)与浓度(X)在1.004~10.04mg/L内线性关系良好,线性回归方程为Y=0.1939X-0.0326,相关系数r=0.9999,检出限为0.012mg/L。样品回收率为96.8%~98.6%,相对标准偏差为0.78%。该方法简便、快速。 相似文献
913.
硫杂杯芳烃--一类新型的分子受体化合物 总被引:5,自引:0,他引:5
综述了近年来一类新型分子受体化合物——硫杂杯芳烃及其衍生物的合成、受体化学以及应用方面的研究进展。 相似文献
914.
MinGU FangZuYANG LingHUANG ShiBingYAO ShaoMinZHOU 《中国化学快报》2004,15(8):981-984
The nucleation mechanisms of cobalt from sulfate solutions were studied by utilizing the electrochemical technique, chronoamperometry. It was found that the recorded current-time transients introduced from 1.0mol/L CoSO4 solution were complexes with unusual shapes. All characteristic features were identified as separate process. The instantaneous or progressive nucleation with 2D or 3D growth exists during the cobalt deposition, depending on the applied potentials. 相似文献
915.
利用极化、交流阻抗技术考察了担载于La0.9Sr0.1Ga0.8Mg0.2O3(LSGM)电解质上的Sm0.5Sr0.5CoO3-La0.8Sr0.2Ga0.8Mg0.15Co0.05O3(SSC-LSGMC5)复合阴极的氧还原反应动力学.在SSC-LSGMC5阴极氧还原反应的阻抗谱中可以观察到明显的两个半圆.高频环的电导与氧分压无关,低频环的电导正比于氧分压的0.5次方.并且低频环的氧分压级数随着反应温度的降低而减小,可能对应于吸附氧原子的扩散过程.SSC-LSGMC5极化曲线与经典的Butler-Volmer方程吻合.阴、阳极的电荷转移系数均为1左右,交换电流密度的氧分压级数为1/4,对应于电荷转移过程.实验结果显示SSC-LSGMC5上的氧还原反应机制随反应条件的不同而发生变化. 相似文献
916.
Chen S. Yang X. Gao Sh. Hu R. Shi Q. 《Journal of Thermal Analysis and Calorimetry》2004,76(1):265-274
The solid complexes of Cr(NO3)3 with L-α-amino acids (AA=Val, Leu, Thr, Arg, Phe and Try) have been prepared in 95% alcoholic, the compositions of which were identified as the general
formula Cr(AA)2(NO3)3·2H2O by elemental and chemical analyses. The bonding characteristics of the title complexes were characterized by IR, indicating
that nitrogen and oxygen atoms in the ligands coordinated to Cr3+ in a bidentate fashion. With the aid of TG-DTG and IR techniques, the complexes were subjected to thermal decomposition in
an atmosphere of oxygen, presuming that the decompositions of the complexes consist of two steps and the complexes were decomposed
into chromium hemitrioxide after undergoing dehydration and skeleton splitting of the complexes. The constant volume energies
of combustion of the complexes were determined by a RBC-P type rotating-bomb calorimeter. According to Hess's law, the standard
enthalpies of formation of the complexes were calculated as (-1831.40±4.40), (-2542.03±6.13), (-1723.81±3.99), (-2224.31±3.02),
(-2911.61±6.53) and (-659.32±7.42) kJ mol-1, respectively.
This revised version was published online in August 2006 with corrections to the Cover Date. 相似文献
917.
聚合-β-环糊精作手性选择剂的毛细管电泳法分离4种光学活性农药中间体 总被引:21,自引:0,他引:21
以聚合-β-环糊精作为毛细管区带电泳手性选择剂,成功分离了2-苯氧丙酸(PPA)、顺式-功夫菊酸(cis-PA)、1-苯基-2-(对甲苯基)乙胺(PTE)和1-苯基-2-(对甲氧基苯基)乙胺(PME)4种光学活性农药中间体的对映体。考察了不同手性选择剂及其浓度、背景电解质的pH等操作条件对分离的影响。结果表明,在12kV操作电压下、30mmol/Ltris-HCl背景电解质中,用14g/L聚合-β-CD作为手性选择剂,PPA和cis-PA对映体在pH6.0时,PIE和PME对映体分别在pH2.5和pH3.0时可以被较好分离。在优化的分离条件下,用聚合-β-CD作毛细管区带电泳手性选择剂分离PIE对映体的分离度为1.513,成功测定了两种旋光性PIE的对映体过量值。 相似文献
918.
选用不同的醇改性剂,在自制的直链淀粉-三(3,5-二甲基苯基氨基甲酸酯)(ADMPC)手性固定相上,对2种吲哚环衍生物对映体进行了手性拆分研究,并考察了样品的保留时间和立体选择性. 相似文献
919.
高效液相色谱-电感耦合等离子体质谱联用测定生物样品中无机汞和甲基汞 总被引:7,自引:5,他引:7
建立了高效液相色谱(HPLC)和电感耦合等离子体质谱(ICP-MS)联用测定多种生物样品中的无机汞和甲基汞的方法,并对比了提取生物样品中无机汞和甲基汞的不同前处理方法。实验使用5 mol/L的盐酸超声波提取样品中的无机汞和甲基汞。高效液相色谱流动相为含有0.06 mol/L醋酸氨,20μg/L B i,0.1%(V/V)2-巯基乙醇的5%(V/V)甲醇-水溶液,色谱柱为C18反相柱(5μm,3.9 mm×150 mm)。提取液在液相色谱中分离后,进入电感耦合等离子体质谱检测其中无机汞和甲基汞的浓度。测定了人发(GBW 07601),对虾(GBW 08572),鱼肉组织(IAEA MA-B-3/TM)和牛肝(GBW 080193)4种生物标准参考物,结果与标准参考物的标准值相符。无机汞和甲基汞检出限分别为0.3和0.2μg/L。 相似文献
920.
Shi WQ Hu J Zhao W Su XY Cai H Zhao YF Li YM 《Journal of mass spectrometry : JMS》2006,41(9):1205-1211
Upon exposure to ionizing radiation, DNA undergoes a variety of modifications including the production of a covalent bond between the nucleobase thymine and aromatic amino acids. In this work, electrospray ionization-mass spectrometry(ESI-MS) was used to identify the gamma radiation-induced covalent cross-linking of model peptides (sequence YPPW and pYPPW) with the nucleobase thymine. Tandem electrospray ionization-mass spectrometry (ESI-MSn) was employed to investigate the cross-linking sites. The results showed that irrespective of whether tyrosine was phosphorylated or not, the nucleobase thymine was cross-linked with the tryptophan residue. Possible cross-linking mechanisms are proposed by investigating the related mass peaks. 相似文献