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Composite electrodes were prepared using graphite powder and silicone rubber in different compositions. The use of such hydrophopic materials interned to diminish the swallowing observed in other cases when the electrodes are used in aqueous solutions for a long time. The composite was characterized for the response reproducibility, ohmic resistance, thermal behavior and active area. The voltammetric response in relation to analytes with known voltammetric behavior was also evaluated, always in comparison with the glassy carbon. The 70% (graphite, w/w) composite electrode was used in the quantitative determination of hydroquinone (HQ) in a DPV procedure in which a detection limit of 5.1x10(-8)molL(-1) was observed. HQ was determined in a photographic developer sample with errors lower then 1% in relation to the label value. 相似文献
65.
Kirchmair J Ristic S Eder K Markt P Wolber G Laggner C Langer T 《Journal of chemical information and modeling》2007,47(6):2182-2196
In continuation of our recent studies on the quality of conformational models generated with CATALYST and OMEGA we present a large-scale survey focusing on the impact of conformational model quality and several screening parameters on pharmacophore-based and shape-based virtual high throughput screening (vHTS). Therefore, we collected known active compounds of CDK2, p38 MAPK, PPAR-gamma, and factor Xa and built a set of druglike decoys using ilib:diverse. Subsequently, we generated 3D structures using CORINA and also calculated conformational models for all compounds using CAESAR, CATALYST FAST, and OMEGA. A widespread set of 103 structure-based pharmacophore models was developed with LigandScout for virtual screening with CATALYST. The performance of both database search modes (FAST and BEST flexible database search) as well as the fit value calculation procedures (FAST and BEST fit) available in CATALYST were analyzed in terms of their ability to discriminate between active and inactive compounds and in terms of efficiency. Moreover, these results are put in direct comparison to the performance of the shape-based virtual screening platform ROCS. Our results prove that high enrichment rates are not necessarily in conflict with efficient vHTS settings: In most of the experiments, we obtained the highest yield of actives in the hit list when parameter sets for the fastest search algorithm were used. 相似文献
66.
Katharina Uhlir Michele Gironda Luca Bombelli Michael Eder Nicola Aresi Gabriele Groschner Martina Griesser 《X射线光谱测定》2019,48(4):293-302
Rembrandt's painting Old Woman Praying, 1629/30, is the most valuable and exceptional work of art of the Residenzgalerie Salzburg (RGS). It is painted on a gilded copper plate with dimensions of only approximately 15 × 12 cm. The painting probably belongs to a series of three small-scale tronies, all executed on gilded copper plates. This particular picture preparation, which represents a special feature in Rembrandt's work, is quite unusual in the history of art. Previous investigations on the comparable paintings The Laughing Man, 1629/30, in the Mauritshuis, The Hague and the Self Portrait, 1630, in the National Museum, Stockholm showed that the gilding of the copper plate was applied over a lead white ground. To characterize the painting in the RGS, X-ray fluorescence (XRF) mapping was performed in a collaboration between the Research Office Residenzgalerie, Land Salzburg, the XGLab S.R.L, Milan, and the Conservation Science Department of the Kunsthistorische Museum Vienna (KHM). The results indicate a different structure for this painting than that used for The Laughing Man and the Self Portrait. The gilding was applied directly onto the copper plate, but with three areas with the gilding missing. It seems likely that in these sections, the gold was purposely removed to provide a different darker effect. XRF mapping yielded valuable insights into the structure of the painting and its technique as well as the principal pigments used for its composition. 相似文献
67.
Alexander K. H. Weiss Richard Wurzer Patrycia Klapec Manuel Philip Eder Johannes R. Loeffler Susanne von Grafenstein Stefania Monteleone Klaus R. Liedl Pidder Jansen-Dürr Hubert Gstach 《Molecules (Basel, Switzerland)》2021,26(16)
FAH domain containing protein 1 (FAHD1) acts as oxaloacetate decarboxylase in mitochondria, contributing to the regulation of the tricarboxylic acid cycle. Guided by a high-resolution X-ray structure of FAHD1 liganded by oxalate, the enzymatic mechanism of substrate processing is analyzed in detail. Taking the chemical features of the FAHD1 substrate oxaloacetate into account, the potential inhibitor structures are deduced. The synthesis of drug-like scaffolds afforded first-generation FAHD1-inhibitors with activities in the low micromolar IC50 range. The investigations disclosed structures competing with the substrate for binding to the metal cofactor, as well as scaffolds, which may have a novel binding mode to FAHD1. 相似文献
68.
Objective and motivation
Intravascular ultrasound (IVUS) allows in vivo invasive intra-luminal real-time examination of the arterial wall structure. In this study, we aimed to validate for the first time the in vivo IVUS performing as a diagnostic tool by comparison to the well-established histomorphometry approach, in the largely used rat model of carotid angioplasty model that mimics the angioplasty procedure in humans.Methods
Atherosclerotic lesions were allowed to develop during four weeks after balloon catheter inflation of the left carotid artery, whereas the intact right carotid artery was used as control. Four weeks after injury, a Boston Scientific 40 MHz device to perform IVUS exams in vivo on both carotid arteries. Then, both carotid arteries were examined in vitro by histomorphometry and correlation between IVUS and histomorphometric parameters (plaque plus media cross-sectional areas [CSA] and eccentricity index) were researched.Results
After ANOVA analysis, comparative statistical analysis showed significant correlations between IVUS and histomorphometry when examining the intact right carotid artery (r = 0.662 with p < 0.003 for plaque plus media CSA; r = 0.774 with p < 0.002 for eccentricity index), but also when exploring the injured left carotid artery (r = 0.805 with p < 0.0001 for plaque plus media CSA; r = 0.775 with p < 0.002 for eccentricity index).Conclusions and outcome
We report here for the first time the ability of IVUS to study therapeutic vascular effects in vivo in alive rats. This result is of major importance since it will allow this device to be used for restenosis drug testing in rat model of carotid angioplasty. 相似文献69.
Eder do Couto TavaresMarcelo Ribeiro Leite Oliveira Jan JanczakCamila Grossi Vieira Leandro de Carvalho AlvesRodrigo Antunes Castro Lígia Maria Mendonça VieiraRenata Hernandez Lindemann Genivaldo Júlio PerpétuoLeila Léa Yuan Visconte Mayura Marques Magalhães Rubinger 《Polyhedron》2012,31(1):494-501
Four zinc(II)-bis(trithiocarbimato) complexes with the general formula A2[Zn(RSO2NCS3)2] [A = Ph4P+: R = CH3 (1), 4-CH3C6H4 (2); A = Bu4N+: R = CH3 (3), 4-CH3C6H4 (4)] were obtained by the reaction of sulfur with the correspondent zinc(II)-bis(dithiocarbimato) complexes. Additionally, the compound (Ph4P)2[(CH3SO2NCS2)2S)] (5) was prepared from the potassium methylsulfonildithiocarbimate by oxidation with iodine. The compounds were characterized by elemental analyses and IR, 1H NMR and 13C NMR spectroscopies. The compounds 4 and 5 were also characterized by X-ray diffraction techniques. The compound 4 crystallizes in the centrosymmetric space group C2/c of the monoclinic system. The Zn(II) is in a distorted tetrahedral environment (ZnS4) in compound 4, and differ from the coordination mode observed in compound 1, which involves one sulfur and one nitrogen atom of each trithiocarbimate ligand. Compound 5 is the first example of a compound containing a bis(N-alkylsulfonyldithiocarbimate)-sulfide dianion and crystallises in the non-centrosymmetric space group P41212 of the tetragonal system. 相似文献
70.
Karoline Eder Christian G. Huber Michael R. Buchmeiser 《Macromolecular rapid communications》2007,28(20):2029-2032
Ring‐opening metathesis polymerization (ROMP) was used for the synthesis of monolithic capillary columns with inner diameters of 200 µm. The resulting polymeric monoliths were characterized by inverse size‐exclusion chromatography (ISEC). Surface functionalization was carried out in situ using 2‐(N,N‐dimethylaminoethyl)norborn‐5‐ene‐2‐ylcarboxylic amide ( 1 ). The resulting functionalized monoliths were successfully used in anion‐exchange chromatography of oligodeoxynucleotides.