排序方式: 共有253条查询结果,搜索用时 15 毫秒
51.
Izabella Jastrzębska Aneta Dobrogowska Ewa Lutostańska Jacek W. Morzycki 《Tetrahedron》2010,66(27-28):5024-5029
Direct dehydrogenation of spirostane sapogenins with benzeneseleninic anhydride/iodoxybenzene afforded the Δ22 derivatives in low yields. The reactions catalyzed by BF3/Et2O produced the 23-oxo-sapogenins in addition to their 22-oxo-23-spiro-isomers. The reactions of sapogenins with benzeneseleninic anhydride carried out in the presence of TiCl4 afforded products chlorinated at C23. 相似文献
52.
The adsorption of urea on a polycrystalline copper electrode from 0.01 M NaClO4 solution has been studied by impedance spectroscopy and radiometric method. The dependence of the surface concentration of urea on the electrode potential and the bulk concentration was determined. From radiometric data, it follows that the adsorption of urea on the copper electrode takes place in the entire range of studied potentials where no faradaic processes occur. In this range, the process of adsorption is practically reversible with respect to the potential and the bulk concentration of urea. The experimental data were described by the Langmuir and the virial isotherms and the Gibbs energy of adsorption were calculated. The data of the urea adsorption on different electrodes have been compared and the role of the kind of the metal on the adsorption process was discussed. 相似文献
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54.
Modeling toxicity by using supervised kohonen neural networks 总被引:2,自引:0,他引:2
Mazzatorta P Vracko M Jezierska A Benfenati E 《Journal of chemical information and computer sciences》2003,43(2):485-492
Counterprogation neural network is shown to be a powerful and suitable tool for the investigation of toxicity. This study mined a data set of 568 chemicals. Two hundred eighty-two objects were used as the training set and 286 as the test set. The final model developed presents high performances on the data set R(2) = 0.83 (R(2) = 0.97 on the training set, R(2) = 0.59 on the test set). This technique distinguishes itself also for the ability to give to the expert two-dimensional maps suitable for the study of the distribution/clustering of the data and the identification of outliers. 相似文献
55.
Photoreaction of diazo Meldrum's acid (1) shows a unique wavelength selectivity. At 254 nm it results in efficient (phi(254) = 0.34) Wolff rearrangement, while irradiation with 355 nm light leads to a completely different process, isomerization into corresponding cyclic alpha,alpha"-dicarbonyl diazirine 2 (phi(350) = 0.024). UV photolysis of diazirine 2 is accompanied by two competing processes: loss of nitrogen followed by the Wolff rearrangement and isomerization into diazo compound 1. Thermal decomposition of 1 leads to clean Wolff rearrangement, while heating of 2 causes quantitative conversion into diazo isomer 1. 相似文献
56.
Petelska AD Naumowicz M Figaszewski ZA 《Bioelectrochemistry (Amsterdam, Netherlands)》2005,65(2):143-148
The effect of the presence of gramicidin D in a lecithin membrane on its interfacial tension has been studied. The studies have been carried out at various forming solution compositions and at various potassium ion concentrations in the electrolyte solution. Potassium chloride was used as the electrolyte. The complex was formed between the gramicidin molecule and K(+) ion. The following parameters describing the complex were determined: the surface area occupied by GK(+) complex (A(GK(+))), the interfacial tension of the GK(+) membrane complex (gamma(GK+)), and the stability constant of the gramicidin-K(+) complex (K). These values are 156 A(2), 1.89 mN m(-1) and 0.033 m(3) mol(-1), respectively. 相似文献
57.
Stare J Jezierska A Ambrozic G Kosir IJ Kidric J Koll A Mavri J Hadzi D 《Journal of the American Chemical Society》2004,126(13):4437-4443
2D free energy surfaces V = V(rOH, rO...O) for the intramolecular H-bond in the title compound were calculated by the DFT method and used in the calculation of primary and secondary chemical shifts of the compound dissolved in chloroform and acetonitrile. Solvent effects were accounted for by the SCRF/PCM method. The corresponding two-dimensional chemical shift surfaces with included solvent reaction field were obtained using the Continuous Set of Gauge Transformations approach at the B3LYP/6-311+G(2d,2p) level of theory. The chemical shifts were estimated as quantum averages along the two internal coordinates in the hydrogen bond and along several vibrational levels according to the Boltzmann distribution at room temperature. Fairly good agreement between the experimental and calculated isotope effects was obtained. 1D and 2D NMR spectra of solutions of picolinic acid N-oxide and its deuterated analogue were recorded and assigned. 相似文献
58.
Bojarski AJ Mokrosz MJ Duszyńska B Kozioł A Bugno R 《Molecules (Basel, Switzerland)》2004,9(3):170-177
Two sets of new o-methoxyphenylpiperazine (MPP; series a) and 1,2,3,4-tetrahydroisoquinoline (THIQ; series b) derivatives, containing various imide moieties derived from NAN190, were synthesized and evaluated in vitro for their ability to bind to the serotonin 5-HT(1A) and 5-HT(2A) receptors. All new derivatives from series a demonstrated high 5-HT(1A) affinities, whereas THIQ analogues were much less active. With respect to 5-HT(2A) receptors, three MPP derivatives presented moderate activity but the rest of the investigated compounds were practically inactive. The influence of changes in terminus geometry on 5-HT(1A) receptor affinity was analyzed in regard to model compounds NAN190and MM199. 相似文献
59.
A simple synthesis of a new, highly fluorescent amino acid and of its protected derivative useful in peptide studies is described. The obtained derivative, N‐[(tert‐butoxy)carbonyl]‐3‐(9,10‐dihydro‐9‐oxoacridin‐2‐yl)‐L ‐alanine ( 6 ), shows intense long‐wave absorption (above 360 nm) and emission (above 400 nm). The quantum yield of fluorescence of the investigated compound is very high, so it can serve as a sensitive analytical probe useful, e.g., in analysis of peptide conformations. 相似文献
60.
Małgorzata I. Szynkowska Aneta Węglińska Elżbieta Wojciechowska Tadeusz Paryjczak 《Chemical Papers》2009,63(2):233-238
Commercial hopcalite calcined at different temperatures and hopcalite modified with noble metals (Pt, Pd, and Au) were studied
in oxidation of thiophene. Surface and bulk properties of catalysts were studied using temperature-programmed reduction (TPRH2), X-ray diffraction method (XRD) and thermal analysis (TG-DTA-MS). It was shown that calcined samples displayed higher activity
in comparison with commercial untreated hopcalite; however, a lower temperature of calcination was favourable. High temperature
of thermal treatment induced an increase in the crystallinity and a decrease in the surface area of the samples, and, as a
consequence, the loss of catalysts activity. Moreover, marked improvement in the catalytic performance of platinum and palladium
modified catalysts in relation to base hopcalite was observed. The obtained results indicate that the higher activity of samples
containing Pt and Pd was accompanied by better reducibility of the catalysts.
Presented at the 35th International Conference of the Slovak Society of Chemical Engineering, Tatranské Matliare, 26–30 May
2008. 相似文献