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61.
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. 相似文献
62.
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. 相似文献
63.
64.
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. 相似文献
65.
Pei J Chen H Liu Z Han X Wang Q Shen B Zhou J Lai L 《Journal of chemical information and modeling》2005,45(6):1920-1933
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. 相似文献
66.
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. 相似文献
67.
68.
The mononuclear macrocyclic polyamine metal complexes 5a-5e have been shown to form stable 1 : 1 complexes with bases and nucleosides. Their binding constants (K) were determined by UV-visible spectrometric titration. The results show that recognition ability of the complexes 5a--5e for uracil, U (Uridine), dT (Thymidine) is higher than that for the other bases or nucleosides (such as Cytidine, Guanosine, Adenosine). The metal ion also plays an important role for the recognition ability of complexes. 相似文献
69.
A novel cadmium(Ⅱ) isothiocyanate complex [Cd(N-MeIM)2(SCN)2]n(N-MeIM=N-methylimidazole) has been prepared and characterized by spectroscopic analysis and crystallographic method. The title compound crystallize in the Triclinic system, space group P1, with lattice parameters a=0.589 50(12) nm, b=0.785 70(16) nm, c=0.882 00(18) nm, α=110.98(3)°, β=106.49(3)°, γ=95.08(3)°, and Z=1. The title compound exhibits an infinite chain structure in which each pair of Cd atoms is bridged by two η-1,3-SCN- groups. The unique Cd atom lies on an inversion centre and the coordination sphere is completed by two N-MeIM N atoms to form a CdS2N4 octahedron. The polymeric chains are further extended into three-dimensional network via π…π stackings interactions between the imidazole rings. The cyclic voltammetry behaviors of the compound on glass carbon electrode showed a typical irreversible process. CCDC: 265283. 相似文献
70.
SincethediscoveryofphosphoniumylidebyWittig',carbanionsstabilizedbyadjacentfifthorsixthgrouponiumionshavebeendevelopedasavaluablereactiveintermediate.However,despitethegreateffortsinylidechemistryinthepastfewdecades',relativelylittleisknownaboutthethermodynamicstabilitiesofylidecarbanions.Itiswellknowthatthequantitativemeasuresofthecarbanionstabilityhavecontributedagreatdealtothedevelopmentoforganicchemistry,thereforeitshouldbeexpectedthattheknowledgeaboutylidestabilitywillalsoprovidavaluableg… 相似文献