991 resultados para C 4.5*stat algorithm
Resumo:
A new method for the preparation of 2-chloro-1,3,2-dioxaphospholane (1) and 2-chloro-4,5-benzo-1,3,2-dioxaphospholane (2), are reported. The modifications introduced in the synthetic route improved the yield and facilitated the control of reaction, but the synthesis require longer reaction time. The compounds were characterized by ¹H, 13C{¹H} and31P{¹H} NMR spectroscopy. Due to the complexity of the spin system AA'BB'X (A, A', B, B' = ¹H; X = 31P) of 2, a simulation of the ¹H NMR spectra was done and it's in agreement with the bibliography.
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1,2-dichloro-4,5-dinitrobenzene (DCDNB) reacts with primary and secondary amines, in acetonitrile, at room temperature, to give a monosubstituted nitro product with a yield of 85 to 95%. The chloro-nitro-disubstituted product is formed with excess amine under reflux. Piperidine, pyrroline, dimethylamine and methylamine were the most reactive reagents in both mono- and disubstitution.
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Digitoitu 13. 8. 2008.
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The present study proposes a method for cloud point preconcentration of copper ions at pH 2.0 based on complexes formed with [4,5-dimercapto-1,3-dithyol-2-thionate] and subsequent determination by flame atomic absorption spectrometry (FAAS). Under optimal analytical conditions, the method provided limits of detection of 0.84 and 0.45 µg L-1, by preconcentrating 12.0 and 24.0 mL of sample, respectively. The method was applied for copper determination in water samples, synthetic saliva, guarana powder, tea samples and soft drinks and the accuracy was assessed by analyzing the certified reference materials Dogfish Liver (DOLT-4) and Lobster Hepatopancreas (TORT-2).
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A short and efficient synthesis of heptadeuterated 2,2,4,4,5,7,7-d7-cholestane (1) from cholesterol (3) is described. The deuterated material will be useful for the analysis of different sources of petroleum in analytical geochemistry laboratories as internal standard for quantification of steranes via gas chromatography-mass spectrometry (GC-MS).
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The structural and electronic properties of 1-(5-Hydroxymethyl - 4 -[ 5 - (5-oxo-5-piperidin- 1 -yl-penta- 1,3 -dienyl)-benzo [1,3] dioxol- 2 -yl]-tetrahydro -furan-2 -yl)-5-methy l-1Hpyrimidine-2,4dione (AHE) molecule have been investigated theoretically by performing density functional theory (DFT), and semi empirical molecular orbital calculations. The geometry of the molecule is optimized at the level of Austin Model 1 (AM1), and the electronic properties and relative energies of the molecules have been calculated by density functional theory in the ground state. The resultant dipole moment of the AHE molecule is about 2.6 and 2.3 Debyes by AM1 and DFT methods respectively, This property of AHE makes it an active molecule with its environment, that is AHE molecule may interacts with its environment strongly in solution.
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14 x 22 cm
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14 x 21 cm
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The work described in t his thesis was initiated with the intention of exploring new routes for the synthesis of certain 4, 5-disubstituted phenanthrenes. A series of reactions have been investigated in detail and several 4, 5-disubstituted phenanthrenes have been prepared. Some of the methods employed were novel and the yields of products were comparable or even better than the existing routes . A major observation made during the course of this work was the stability of the seven-membered ring system bridging the 4 and 5 positions of the phenanthrene nucleus . It has been found t hat the unbridged structures are not preferred if the compound is capable of isomerising to a bridged form . We have explained this phenomenon in t erms of the stereochemistry of t he 4 and 5 positions of the phenanthrene nucleus as well as the geometry of the bridge . Low temperature NMR studies have been carried out to investigate the conformations of the benzylic hydrogens of some of the 4,5-bridged compounds. However, the results were not conclusive as more than one reason could be attributed t o the observations .