Two new sesquiterpene lactones with the sulfonic acid group from Saussurea lappa

Two new sesquiterpene lactones with the unusual sulfonic acid group, 13-sulfo-dihydrosantamarine (1) and 13-sulfo-dihydroreynosin (2), have been isolated from the roots of Saussurea lappa C. Their structures, including the absolute configurations, were elucidated by spectroscopic methods.     

高配位双环氮氧杂有机锡化合物在二甲亚砜溶剂中的酸性解离常数

本文报道了在DMSO溶剂中利用Bordwell指示剂重迭法测定六种高配位双环氮氧杂有机锡化合物的α-CH的酸性离解常数(pKa)的方法, 并对配合物的结构与其α-CH酸性的关系进行了讨论。     

消毒剂产品中三氯新的测定及其稳定性研究

 采用反相高效液相法测定消毒剂产品中的三氯新。在KromasilC18柱 (2 0 0mm× 4 6mmi d )上 ,以甲醇 乙腈 水 (含 0 0 2mol/LKH2 PO4,pH 2 7) (体积比为 4 0∶4 0∶2 0 )溶液为流动相 ,2 80nm波长下检测 ,样品用流动相超声溶解。三氯新的回收率为 94 2 %～ 10 2 2 % ,相对标准偏差 (RSD)为 2 2 %～ 3 0 %。方法操作简便 ,精密度和准确度高 ,适合三氯新的快速分析。在 5 4℃时保存 14d和 37℃时保存 90d后 ,标准品和样品的含量没有明显变化 ,证明三氯新具有良好的稳定性。     

Cooperative Competition Clustering for Gene Selection

Clustering analysis of data from DNA microarray hybridization studies is an essential task for identifying biologically relevant groups of genes. Attribute cluster algorithm (ACA) has provided an attractive way to group and select meaningful genes. However, ACA needs much prior knowledge about the genes to set the number of clusters. In practical applications, if the number of clusters is misspecified, the performance of the ACA will deteriorate rapidly. We propose the Cooperative Competition Cluster Algorithm (CCCA) in this paper. In the algorithm, we assume that both cooperation and competition exist simultaneously between clusters in the process of clustering. By using this principle of Cooperative Competition, the number of clusters can be found in the process of clustering. Experimental results on a synthetic and gene expression data are demonstrated. The results show that CCCA can choose the number of clusters automatically and get excellent performance with respect to other competing methods.     

Luminescence Quenching between Ce and Eu in LAB3O6

The Ce³⁺ and Eu³⁺ ions in LaB₃O₆ quench each other's luminescence. However, Ce³⁺ quenches Eu³⁺ more effectively than Eu³⁺ quenches Ce³⁺. The critical distances for this quenching are about 15 and 6 Å respectively.     

LC-MS/MS定量测定大鼠和人肝微粒体孵育液中丁苯酞浓度方法的建立

正丁苯酞(n-butylphthalide,NBP),又名芹菜甲素,是我国心脑血管领域第一个拥有自主知识产权的药物,它具有很强的抗脑缺血损伤作用,而毒副作用较低[1-2].     

Embedded polymerization driven asymmetric PEM for direct methanol fuel cells

This work reports the fabrication of proton exchange membranes (PEM) with stronger resistance to methanol penetration than Nafion^®117. A three-component acrylic polymer blend (TCPB) consisting of a copolymer of 4-vinylphenol-methyl methacrylate, poly(butyl methacrylate) (PBMA) and a copolymer of methyl methacrylate-ethyl acrylate is used as the methanol barrier. In order to implant a proton source phase within the membrane as homogeneously as possible, the hydrophilic monomers, 2-acrylamido-2-methyl propanesulfonic acid (AMPS), 2-hydroxyethyl methacrylate (HEMA) and poly(ethylene glycol) dimethylacrylate (PEGDMA), are polymerized only after they have been embedded in the TCPB matrix. The embedded polymerization has resulted in an asymmetric membrane structure, in which the hydrophilic network is sandwiched by two layers of matrixes with high percentages of TCPB. As expected, this asymmetric membrane structure exhibits lower methanol uptake than Nafion^®117; and a proton conductivity in the range of 10⁻³–10⁻⁴ S/cm, which is dependent on the concentration of the sulfonic acid content. It is suggested that the two external layers in this asymmetric membrane provide primarily methanol-blocking and supporting proton-conducting properties; while the middle layer supplies protons and conserves water. This unique sandwiched PEM structure from embedded polymerization is confirmed by microstructure characterizations and by physical property measurements.     

Improving the quality of 3D-QSAR by using flexible-ligand receptor models

To address the problems associated with molecular conformations and alignments in the 3D-QSAR studies, we have developed the Flexible Ligand - Atomic Receptor Model (FLARM) 2.0 method. The FLARM 2.0 method has three unique features as compared to other pseudoreceptor model methods: (1) the training ligands are flexibly optimized inside the receptors to achieve minimal docking energies; (2) the receptor atoms are spatially moveable in the process of genetic evolving in order to avoid improper initial receptor shapes; and (3) void receptor sites are specially favored in order to obtain open receptor models that allow large gaps. Advantages of an open model include less noise information, a smaller risk of overfitting, and ease of locating the key interaction sites. The latter two features, inherited from the previous FLARM 1.0 method, can improve the predictive ability of the 3D-QSAR models, while the first feature is newly implemented to relieve the uncertainty caused by improper conformation and alignment. Three FLARM 2.0 case studies were performed, and the results show that FLARM 2.0 models are highly predictive and robust. FLARM 2.0 pseudoreceptor models can correspond well with the pharmacophore models and/or the binding sites of the real protein receptors.     

Application of Headspace Liquid-Phase Microextraction to the Analysis of Volatile Halocarbons in Water

The determination of four volatile halocarbons (CHCl₃, CCl₄, C₂HCl₃ and C₂Cl₄) in water by headspace liquid-phase microextraction (HS-LPME) with gas chromatography using a micro electron capture detector (GC-μECD) is described. The effects of the type and volume of the extraction solvent, headspace volume, stirring rate, extraction temperature and time and ionic strength on the extraction performance are investigated and optimized. The developed protocol yields a linear calibration curve in the concentration range from 0.05 to 50 µg L^?1 for the target analytes; the detection limits ranged from 0.003 to 0.146 µg L^?1 and the relative standard deviation (R.S.D.) values below 8.45%. The results demonstrate that HS-LPME followed with GC-μECD is a simple and reliable technique for the determination of volatile halocarbons in water samples.     

Study on the Thermodynamic Stabilities of Te-Substituted Di-n-butyltellurium Ylide

SincethediscoveryofphosphoniumylidebyWittig',carbanionsstabilizedbyadjacentfifthorsixthgrouponiumionshavebeendevelopedasavaluablereactiveintermediate.However,despitethegreateffortsinylidechemistryinthepastfewdecades',relativelylittleisknownaboutthethermodynamicstabilitiesofylidecarbanions.Itiswellknowthatthequantitativemeasuresofthecarbanionstabilityhavecontributedagreatdealtothedevelopmentoforganicchemistry,thereforeitshouldbeexpectedthattheknowledgeaboutylidestabilitywillalsoprovidavaluableg…