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881.
Robert W. Ashford Peter Connard Robert Daniel 《The Journal of the Operational Research Society》1992,43(5):519-531
The time-consuming process of solving large-scale Mixed Integer Programming problems using the branch-and-bound technique can be speeded up by introducing a degree of parallelism into the basic algorithm. This paper describes the development and implementation of a parallel branch-and-bound algorithm created by adapting a commercial MIP solver. Inherent in the design of this software are certain ad hoc methods, the use of which are necessary in the effective solution of real problems. The extent to which these ad hoc methods can successfully be transferred to a parallel environment, in this case an array of at most nine transputers, is discussed. Computational results on a variety of real integer programming problems are reported. 相似文献
882.
Rahul Mukerjee 《The Journal of the Operational Research Society》1982,33(10):957-959
The problem of minimising E(X) subject to the constraints X ? 0, P(X ? b) ? a(0 < a < 1) has been considered, where b is a non-negative random variable with continuous probability distribution. A necessary and sufficient condition for randomised decisions to be superior to the non-randomised one has been derived. 相似文献
883.
We report the design and validation of a fast empirical function for scoring RNA-ligand interactions, and describe its implementation within RiboDock, a virtual screening system for automated flexible docking. Building on well-known protein-ligand scoring function foundations, features were added to describe the interactions of common RNA-binding functional groups that were not handled adequately by conventional terms, to disfavour non-complementary polar contacts, and to control non-specific charged interactions. The results of validation experiments against known structures of RNA-ligand complexes compare favourably with previously reported methods. Binding modes were well predicted in most cases and good discrimination was achieved between native and non-native ligands for each binding site, and between native and non-native binding sites for each ligand. Further evidence of the ability of the method to identify true RNA binders is provided by compound selection ('enrichment factor') experiments based around a series of HIV-1 TAR RNA-binding ligands. Significant enrichment in true binders was achieved amongst high scoring docking hits, even when selection was from a library of structurally related, positively charged molecules. Coupled with a semi-automated cavity detection algorithm for identification of putative ligand binding sites, also described here, the method is suitable for the screening of very large databases of molecules against RNA and RNA-protein interfaces, such as those presented by the bacterial ribosome. 相似文献
884.
A pseudo-first-order catalytic mechanism in which both reactant and product of a redox reaction are strongly immobilized
on an electrode surface is theoretically analysed under conditions of square-wave (SWV) and staircase cyclic voltammetry (SCV).
A mathematical procedure is developed under diffusionless conditions. The relationships between the properties of the voltammetric
response and both the kinetic parameters of the redox reaction and the parameters of the excitation signal are studied. The
phenomenon of the quasi-reversible maximum is discussed. A comparative study between SWV and SCV is presented and the limitations
and advantages of both techniques, from analytical and kinetic points of view, are discussed. The theoretical predictions
are experimentally confirmed by the redox reaction of azobenzene in the presence of hydrogen peroxide as an oxidizing agent.
Electronic Publication 相似文献
885.
A new ligand, 2-carboxybenzaldehyde-(4’-hydroxy)benzoylhydrazone(H2L) and its ZnII and NiII complexes have been synthesized and characterized on the basis of elemental analyses, molar conductivities, 1H-NMR, IR spectra and thermal analyses. In addition, DNA-binding properties of these two metal complexes were investigated
using spectrometric titrations, ethidium bromide displacement experiments, and viscosity measurements. The results show that
the two complexes, especially the NiII complex, strongly bind with calf-thymus DNA, presumably via an intercalation mechanism. The intrinsic binding constants of the ZnII and NiII complexes with DNA are 2.46 × 105 and 7.94 × 105
M
−1, respectively. 相似文献
886.
An analytical method using alumina modified with water-soluble polyacrylic acid polymer for the simultaneous separation and
preconcentration of trace Cu and Cd in a column system, and their determination by flame atomic absorption spectrometry was
developed. The conditions for coating Al2O3 with polyacrylic acid were optimized, then the column was packed with 50 mg of this sorbent. Cd and Cu solution was passed
through a glass column at pH 4.5, and elution was carried out with 5 mL of 0.05 M HCl at a flow rate of 1 mL min−1. A sorption capacity of 10 mg Cu and 12 mg Cd was obtained for 1 g sorbent. The detection limit was calculated as 4.5 μg L−1 for Cu and 1.54 μg L−1 for Cd in the final solution. Enrichment factors of 300 for Cd and 400 for Cu were obtained. 相似文献
887.
Mehmood A Malik A Anis I Khan PM Riaz M Makhmoor T Choudhary MI 《Natural product letters》2002,16(6):371-376
Two new oleanane triterpenes; 2alpha,3alpha,24-trihydroxyolean-12-ene-28,30-dioic acid ([structure: see text]) and 2alpha,3alpha,24,28-tetrahydroxyolean-12-ene ([structure: see text]) have been isolated from the roots of Atropa acuminata. Anti-oxidant p-hydroxyphenethyl trans-ferulate ([structure: see text]), beta-sitosterol-3-O-beta-D-glucopyranoside ([structure: see text]) and oleanolic acid ([structure: see text]) have also been reported for the first time from this species. The structures were determined by spectroscopic studies including 2D-NMR. 相似文献
888.
Jorge Pavez Maritza Páez Armelle Ringuedé Fethi Bedioui José H. Zagal 《Journal of Solid State Electrochemistry》2005,9(1):21-29
We studied the electrocatalytic activity of cobalt tetra-aminophthalocyanine (CoTAPc) for the reduction of molecular oxygen (O2) on adsorbed monomeric and on electropolymerized films of different thicknesses on glassy carbon (GC) electrode. The polymeric films, denoted poly-CoTAPc, were first characterized by electrochemical impedance spectroscopy and it appears that the types of phenomena revealed to be occurring depend less on the film thickness in basic than in acid media. For O2 reduction, the results showed that poly-CoTAPc is more active than the monomeric CoTAPc adsorbed on GC. Indeed, rotating ring-disk electrode data showed that polymeric CoTAPc promotes the four-electron reduction of O2 to water in parallel to a two-electron reduction to give peroxide. On monomeric and thin films of poly-CoTAPc, a two-electron reduction mechanism predominates. In basic media the activity increases very slightly with thickness, whereas in acid media this increase is more pronounced. This parallels the observed behavior revealed by electrochemical impedance spectroscopy. 相似文献
889.
Sorption of uranium by non-living water hyacinth roots 总被引:1,自引:0,他引:1
S. Shawky M. Abdel Geleel Ashraf Aly 《Journal of Radioanalytical and Nuclear Chemistry》2005,265(1):81-84
Summary Many studies have shown that water hyacinth (Eichhornia crassipes) roots can be used to accumulate high concentrations of organic as well as inorganic pollutants. They are currently used to remediate aquatic environments and aqueous solutions. In the present study, sorption of uranium from aqueous solutions by using dried roots of water hyacinth has been investigated. The sorption of uranium was examined as a function of initial concentration, pH, weight of roots and contact time. Five different concentrations 20, 40, 60, 80, and 100 μg . ml-1 were used. Sorption proves to be very rapid and depend on pH, weight of roots and concentration of uranium. Maximum sorption capacity of water hyacinth roots was 64,000 U6+ μg/g. The sorption of uranium by water hyacinth roots follows a Langmuir isotherm. 相似文献
890.
Levon A. Tavadyan Gegham Z. Sedrakyan Seyran H. Minasyan Frederick T. Greenaway John R.J. Sorenson 《Transition Metal Chemistry》2004,29(6):684-696
Bioactive copper(II), iron(III), and manganese(II) 3,5-di-i-propylsalicylate (3,5-DIPS) chelates were investigated in order to determine their ability to inhibit the free radical initiated chain reactions leading to the peroxidation of isopropylbenzene (i-PrPh) and ethylbenzene (EtPh). Quantitative kinetic studies of these chelates established the following order of anti-oxidant reactivities: manganese(II)-(3,5-DIPS)2>iron(III)(3,5-DIPS)3>copper(II)2(3,5-DIPS)4> > 3,5-DIPS acid. The mechanism of anti-oxidant reactivity of these three chelates is established as being due, in part, to their chain-breaking capacity resulting from the chemical reduction of the generated peroxyl radical to yield alkybenzenelhydroperoxides via reaction of the 3,5-DIPS ligand with the peroxyl radical. In the case of manganese(II)3,5-di-i-propylsalicylate, the central metalloelement also interacts with the peroxyl radical. The manganese(II)-(3,5-DIPS)2 and copper(II)2(3,5-DIPS)4 chelates were also found to exhibit alkylhydroperoxide pro-oxidative reactivity leading to the formation of the alkylbenzeneperoxyl radical. In addition, the manganese(II) atom underwent oxidation to manganese(III) with the formation of the alkylbenzenehydroperoxide or superoxide with air oxygen oxidation. Amyl acetate and dipropylamine (n-Pr2NH) were added to the reaction mixture to model the biochemical presence of ester or amine cellular components. Addition of amyl acetate to the reaction mixture increased the anti-oxidant reactivity of manganese(II)-(3,5-DIPS)2 while decreasing its pro-oxidant reactivity. The weaker anti-oxidant reactivites of iron(III)(3,5-DIPS)3 and copper(II)2(3,5-DIPS)4 were less affected by the addition of amyl acetate and the pro-oxidant reactivity of copper(II)2(3,5-DIPS)4 was not changed by the addition of amyl acetate, while the pro-oxidant property of iron(III)(3,5-DIPS)3 was eliminated. In contrast to 2,6-di-t-butyl-4-methylphenol, butylated hydroxy toluene (BHT), anti-oxidant reactivities of copper(II), iron(III), and manganese(II) 3,5-DIPS chelates were dramatically enhanced by the addition of n-Pr2NH to the reaction mixture. It is concluded that all three metalloelement chelates react with and remove alkylbenzeneperoxyl radicals and the hydroperoxyl radical. The manganese(II)-(3,5-DIPS)2 and copper(II)2(3,5-DIPS)4 chelates may also be useful in removing hydroperoxides in vivo. These reactivities, in addition to their established superoxide dismutase (SOD)-mimetic and catalase-mimetic reactivities, are suggested to possibly permit anti-oxidant and pro-oxidant reactivities in aqueous and organic cellular compartments. 相似文献