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排序方式: 共有99条查询结果,搜索用时 15 毫秒
1.
Many problems arising in practical applications lead to linear programming problems. Hence, they are fundamentally tractable. Recent interior-point methods can exploit problem structure to solve such problems very efficiently. Infeasible interior-point predictor–corrector methods using floating-point arithmetic sometimes compute an approximate solution with duality gap less than a given tolerance even when the problem may not have a solution. We present an efficient verification method for solving linear programming problems which computes a guaranteed enclosure of the optimal solution and which verifies the existence of the solution within the computed interval. 相似文献
2.
Hassan Sedaira Kamal A. Idriss Elham Y. Hashem Mohamed M. Seleim Abu-Bakr El-Nady 《Journal of solution chemistry》1996,25(1):95-103
The solvation number and hydration constant of Th4+ in ethanol-water medium were determined at 25°C using UV-spectral and electrochemical measurements. A solvate formation equilibrium is demonstrated and characterized. Three molecules of ethanol (S) can bond to the metal cation with strengths comparable to that for H2O to form ThS3(H2O) 3 4+ Formation of thorium monochelate with lawsone (2-hydroxy-1,4-naphthoquinone) eliminates bonding with alcohol molecules. The dissociation constant of the chelating agentsKa and the formation contant of the monochelated metal ionsK f * that are essentially independent of the solution composition are evaluated. Hydration titrations involving thorium-lawsone monochelate are performed and the data obtained from the changes of pH with solvent composition are analyzed. The solution independent constant,sK f * for thorium-lawsone complex formation in mixed aqueous ethanol is given by $$log_s K_f * = vpK_a + log_s K_h - log[LH] - vpH + 3logv$$ where vpKa is the dissociation constant of the chelating agent LH in the solvent system of ν volume fraction of water andsKh is the solution-independent hydration constant of thorium (IV) in the solvent system. Log-values for the constantssKh,sK f * andsK a * are found to be 7.8±0.02, 11.38±0.04 and ?0.753, respectively. 相似文献
3.
I. M. Issa Dr. K. A. Idriss M. M. Seleim 《Monatshefte für Chemie / Chemical Monthly》1977,108(6):1461-1469
The reaction of 1,4-(2-sulpho-4-methylanilino)anthraquinone (quinizarin green,QG) and its non-sulphonated derivative (NSQG) with Ce(III), Th(IV), and U(VI) was investigated. Spectrophotometric and conductometric studies were carried out to investigate the stoichiometry of the complexes formed. The studies revealed the formation of 11 and 12 (ML) complexes. The apparent stability constants of the different complexes were determined. The structure of the ligand in the solid chelates was studied by IR spectrophotometry which showed that the chelate formation takes place through the oxygen of the C=O group and the -imino nitrogen.
Mit 6 Abbildungen 相似文献
Mit 6 Abbildungen 相似文献
4.
DETECTION OF DNA-PSORALEN PHOTOADDUCTS in situ 总被引:1,自引:0,他引:1
ZOFIA ZAREBSKA† MARIA JARZABEK-CHORZELSKA ‡ GENOWEFA RZSA WIESLAW GLISKI MARIA PAWIKA TADEUSZ CHORZELSKI STEFANIA JABLOKA 《Photochemistry and photobiology》1984,39(3):307-312
Abstract— An immunological method, with the use of specific immune serum, has been developed for detection of 8-methoxypsoralen (8-MOP) photoadducts to DNA, formed in situ in cell nuclei, after combined treatment with 8MOP and UV-A irradiation (Zarçbska et al. , 1978). Lymphocytes fixed on slides or in suspension, and cryostat sections of different mammalian tissues, served as antigenic substrate, after treatment with 8-MOP and UV-A in vitro. Specific fluorescence in these substrates was detected in the nuclei after treatment with 30 ˜ 140 kJ/m2 UV-A in the presence of 0.1-0.3 μg/cm2 8-MOP. PHA-stimulated-lymphocytes appeared to be the most sensitive substrate.
However, hairless mice treated with high doses of UV-A in vivo , 70 ˜ 360 kJ/m2 did not reveal a specific fluorescence of epidermal nuclei, unless a high local concentration of 8-MOP was attained.
The apparent discrepancy in the level of photoadduct detection between the in vitro and in vivo treated specimens was explained by the low number of DNA-8-MOP-photoadducts formed in vivo under these experimental conditions. The relevance of these findings to the role of DNA-8-MOP-photoadducts formed during PUVA photochemotherapy is discussed. 相似文献
However, hairless mice treated with high doses of UV-A in vivo , 70 ˜ 360 kJ/m
The apparent discrepancy in the level of photoadduct detection between the in vitro and in vivo treated specimens was explained by the low number of DNA-8-MOP-photoadducts formed in vivo under these experimental conditions. The relevance of these findings to the role of DNA-8-MOP-photoadducts formed during PUVA photochemotherapy is discussed. 相似文献
5.
Kamal A. Idriss Magda S. Saleh Mohamed M. Seleim Fatma S. Hassan Sherif K. Idriss 《Monatshefte für Chemie / Chemical Monthly》1990,121(8-9):625-634
Summary A simple, rapid, selective, and sensitive method for the spectrophotometric determination of palladium is developed based on the reaction of Pd(II) with 1-amino-4-hydroxyanthraquinone (AMHA). The reaction is carried out atpH 3.8 in 50% (v/v) ethanol-water medium. The molar absorptivity of the complexed ligand is 1.1 · 104 l mol–1 cm–1 at 620 nm. Calibration plots are linear up to 17 µg Pd cm–3. The optimum concentration range (Ringbom plot) is between 3–14.5 µg cm–3. The spectral study of the reaction in solutions containing equimolar concentrations or an excess of one component, in thepH range 0.3–6.5, indicate the possible complex transitions that occur in solution. Complete graphical and logarithmic analysis of the absorbance-pH graphs was performed to demonstrate and characterize the complexation equilibria in solution. Under the optimum conditions, palladium can be determined as the noncharged complex Pd(AMHA)2 in the presence of a large number of foreign ions. Interferences caused by zirconium(IV) could be masked with fluoride ions.
Eine neue spektrophotometrische Methode für die Bestimmung von Palladium in Spuren
Zusammenfassung Eine einfache, schnelle und empfindliche Methode für die spektrophotometrische Bestimmung von Palladium wurde auf der Basis der Reaktion von Pd(II) mit 1-Amino-4-hydroxyanthrachinon (AMHA) entwickelt. Die Reaktion wird in 50% (v/v) Ethanol/Wasser beipH 3.8 ausgeführt. Die molare Absorption des komplexierten Liganden beträgt 1.1 · 104 l mol–1 cm–1 bei 620 nm. Kalibrierungskurven verlaufen bis zu 17 µg Pd cm–3 linear. Der optimale Konzentrationsbereich (Ringbom-Plot) liegt zwischen 3 und 14.5 µg cm–3. Spektroskopische Untersuchungen der Reaktion in Lösungen, entweder mit equimolaren Konzentrationen oder mit einem Überschuß an einer Komponente impH-Bereich 0.3–6.5, lassen Rückschlüsse auf mögliche Komplex-Übergänge in Lösung zu. Es wurde eine vollständige graphische, logarithmische Analyse der Absorptions-pH-Graphen durchgeführt, um die Komplexgleichgewichte in Lösung aufzuklären und zu charakterisieren. Unter den Optimalbedingungen kann Palladium als nichtgeladener Komplex Pd(AMHA)2 in Gegenwart einer großen Anzahl an Fremd-Ionen bestimmt werden. Schwierigkeiten mit Zirkonium(IV) konnte durch Maskierung mit Fluorid-Ionen umgangen werden.相似文献
6.
Geometry optimisation and metal ion affinities (MIAs) of the binding configurations of Be2+, Mg2+ and Ca2+ to L ‐proline were calculated using the hybrid Density Functional Theory (DFT‐B3LYP) and second order Møllet?Plesset perturbation theory (MP2) methods. Be2+ was found to bind preferentially in a charge transfer type arrangement through the carbonyl oxygen (? C?O) and the lone pair of the imino‐group nitrogen atom (? NH? ). On the contrary Mg2+ and Ca2+ were found to prefer binding in a bi‐dentate manner through the carboxylate group of L ‐proline (OCO) in a zwitterion form. The main types of interactions found to influence the binding preference of M2+ ions to L ‐proline were (i) charge transfer in the case of Be2+ ions and (ii) electrostatic interactions in the case of Mg2+ and Ca2+ ions. Inspection of the IR stretching of the N? H and the O? H groups of L ‐proline with M2+ ions in a chelating configuration (to both O and N atoms) indicated a considerable shift to higher frequency with decreasing MIA. On the other hand, the MIA for the zwitterion L ‐proline with M2+ tracks the reciprocal distance of the M2+? OCO bond further confirming that the nature of the bond is mainly electrostatic. Comparison with other molecules containing the carboxylic function is also included in order to gain more insight on the types of interaction of this amino acid with metal ions in general. Copyright © 2007 John Wiley & Sons, Ltd. 相似文献
7.
The adsorption of CO on α-Al2O3(0001) was studied using the DFT-GGA computational method and on α-Al2O3 powder experimentally by Infra red spectroscopy. The core and valence level regions of α-Al2O3(0001) single crystal surface were also studied experimentally. Ar ions sputtering of the surface results in a slight but reproducible decrease in the XPS O2p lines in the valence band regions due to preferential removal of surface (and near surface) O atoms. Core level XPS O1s and Al2p further confirmed oxygen depletion with an associated surface stoichiometry close to Al2O2.9. The adsorption energy of CO was computed and found equal to 0.52 eV for θ = 0.25, it decreased to 0.42 eV at θ = 1. The IR frequency of νCO was also computed and in all cases it was blue shifted with respect to gas phase CO. The shift, Δν, decreased with increasing coverage where it was found equal to 56 cm? 1 for θ = 0.25 and decreased to 30 cm? 1 for θ = 1. Structural analyses indicated that the change in the adsorption energy and the associated frequency shift is due to surface relaxation upon adsorption. Experimentally the adsorption of CO gave rise to one main IR peak at 2154 cm? 1 at 0.3 Torr and above. Two far smaller peaks are also seen at lower pressures of 0.03–0.2 Torr at 2189 and 2178 cm? 1. The isosteric heat of adsorption was computed for the IR band at 2154 cm? 1 and was found equal to 0.2 eV which did not change with coverage in the investigated range up to θ = 0.6. 相似文献
8.
9.
Nadeem AM Muir JM Connelly KA Adamson BT Metson BJ Idriss H 《Physical chemistry chemical physics : PCCP》2011,13(17):7637-7643
The reaction of ethanol has been studied on the surface of rutile TiO(2)(110) by Temperature Programmed Desorption (TPD), online mass spectrometry under UV excitation and photoelectron spectroscopy while the adsorption energies of the molecular and dissociative modes of ethanol were computed using the DFT/GGA method. The most stable configuration is the dissociative adsorption in line with experimental results at room temperature. At 0.5 ML coverage the adsorption energy was found equal to 80 kJ mol(-1) for the dissociative mode (ethoxide, CH(3)CH(2)O(a) + H(a)) followed by the molecular mode (67 kJ mol(-1)). The orientation of the ethoxides along the [001] or [110] direction had minor effect on the adsorption energy although affected differently the Ti and O surface atomic positions. TPD after ethanol adsorption at 300 K indicated two main reactions: dehydration to ethylene and dehydrogenation to acetaldehyde. Pre-dosing the surface with ethanol at 300 K followed by exposure to UV resulted in the formation of acetaldehyde and hydrogen. The amount of acetaldehyde could be directly linked to the presence of gas phase O(2) in the vacuum chamber. The order of this photo-catalytic reaction with respect to O(2) was found to be 0.5. Part of acetaldehyde further reacted with O(2) under UV excitation to give surface acetate species. Because the rate of photo-oxidation of acetates (acetic acid) was slower than that of ethoxides (ethanol), the surface ended up by being covered with large amounts of acetates. A reaction mechanism for acetaldehyde, hydrogen and acetate formation under UV excitation is proposed. 相似文献
10.