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91.
Manzano BR Jalón FA Ortiz IM Soriano ML Torre FG Elguero J Maestro MA Mereiter K Claridge TD 《Inorganic chemistry》2008,47(2):413-428
The ligands 4,6-bis(pyrazol-1-yl)pyrimidine (bpzpm), 4,6-bis(3,5-dimethylpyrazol-1-yl)pyrimidine (bpz(*)pm), 4,6-bis(4-methylpyrazol-1-yl)pyrimidine (Mebpzpm), and 3,6-bis(3,5-dimethylpyrazol-1-yl)pyridazine (ppdMe) were synthesized and were made to react with Cu(I) centers in the presence of different counteranions. Different [2 x 2] metallic grids were obtained. With ligands bpzpm, bpz*pm, and Mebpzpm, a new type of grid was obtained where the facing ligands were divergent and two counteranions (BF(4-) or PF(6-)) were hosted in the resulting cavities and exhibit C-H...F and anion...pi interactions in the solid state. The presence of methyl groups on the pyrazolyl rings induced several distortions in the structure. In complexes with the ligand ppdMe, there were found two groups of parallel ligands in the grid, and the cavities generated were smaller. The counteranions were situated outside the grid, and the facing ligands exhibited aromatic pi-pi stacking interactions. Anion-pi interactions involving the pyridazine ring were found. The behavior in solution of the new derivatives with a special emphasis on the cation-anion interactions was studied by UV-vis and NMR spectroscopy. Diffusion NMR experiments performed for some complexes allowed us to conclude that weak cation-anion interactions exist in solution, with the counteranions undergoing fast exchange on the diffusion time scale between the free and ion-paired states. 相似文献
92.
Band-limited wavelets 总被引:1,自引:0,他引:1
93.
The purpose of this study is to develop some understanding of the benefits that can be derived from the inclusion of diversification strategies in tabu search methods. To do so, we discuss the implementation of various diversification strategies in several tabu search heuristics developed for the maximum clique problem. Computational results on a large set of randomly generated test problems are reported and compared to assess the impact of these techniques on solution quality and running time. 相似文献
94.
Many analogues of KRN 7000, a synthetic glycolipid (α-galactosylceramide) exhibiting immuno-stimulatory activity and antitumor properties, were previously synthesized and tested in order to understand the reasons for the resulting biological activity and Th1/Th2 cytokine profile. Principles have been established for the interaction of such glycolipids with the human CD1d molecule but the exact mechanism by which different ligands with the same polar head elicit distinct biological responses remains unclear. Based on these experiments and on the available crystal structures, protein-ligand interactions are explored using molecular dynamics simulations. Hydrogen bond interactions are examined with regard to the polar group orientation. The influence of modulations on the dynamic behavior of the CD1d-glycolipid complex is addressed. Overall, our data support the mechanism by which the shortening of the α-GalCer sphingosine chain causes a significant twist of the CD1d α1 helix structure from residue Phe84 that affects the position of CD1d residues involved in the TCR recognition. 相似文献
95.
A tabu search procedure for multicommodity location/allocation with balancing requirements 总被引:2,自引:0,他引:2
Teodor G. Crainic Michel Gendreau Patrick Soriano Michel Toulouse 《Annals of Operations Research》1993,41(4):359-383
We propose a tabu search heuristic for the location/allocation problem with balancing requirements. This problem typically arises in the context of the medium term management of a fleet of containers of multiple types, where container depots have to be selected, the assignment of customers to depots has to be established for each type of container, and the interdepot container traffic has to be planned to account for differences in supplies and demands in various zones of the geographical territory served by a container shipping company. It is modeled as a mixed integer program, which combines zero-one location variables and a multicommodity network flow structure. Extensive computational results on a set of benchmark problems and comparisons with an efficient dual ascent procedure are reported. These show that tabu search is a competitive approach for this class of problems. 相似文献
96.
F. Soriano 《manuscripta mathematica》1997,93(1):409-420
In this paper we introduce the concept of logarithmic 2-classes in the narrow sense for a number field. Then we obtain fix
point formulae for a cyclic 2-extension of this kind of fields.
相似文献
97.
98.
The following copper(I) and silver(I) complexes of 2-amino-1,3,4-thiadiazole (atz) and 2-ethylamino-1,3,4-thiadiazole (eatz) have been prepared and studied by conductometric, IR and Raman methods: CuXL(X = Cl, Br, I; L = atz, eatz), CuXL3(X = ClO4, NO3; L = atz, eatz), AgClO4·1.5atz·1/3 EtOH, AgNO3·2.5atz, AgClO4·3eatz, AgNO3·eatz. The ligands are bonded through the amine nitrogen atoms with ν(MN) bands in the 520–410 cm?1 region. The CuXL complexes have a trigonal (N, 2Xb) coordination with a probable weaker axial interaction. The CuXL3 and AgCIO4·3eatz complexes probably have a trigonal pyramidal (3N,O) coordination. In the atz complexes of silver perchlorate and nitrate some ligand molecules are bridging. The AgNO3·2.5atz complex is likely to have a dimeric structure with tetrahedral coordination of the silver ion. 相似文献
99.
van Zutphen S Pantoja E Soriano R Soro C Tooke DM Spek AL den Dulk H Brouwer J Reedijk J 《Dalton transactions (Cambridge, England : 2003)》2006,(8):1020-1023
New asymmetric trans-platinum(II) complexes, composed of an isopropylamine, an azole and two carboxylate leaving groups, are presented. The crystal and molecular structures of one of the complexes has been determined and the cytotoxicity and reactivity with 5'-guanosine monophosphate is reported. The complexes show a reduced reactivity, but no decrease in cytotoxic activity compared to their chloro-counterparts. Furthermore the complexes largely overcome cisplatin resistance, they therefore present an interesting class of antitumour active trans-platinum complexes. 相似文献
100.
Figueira-Duarte TM Clifford J Amendola V Gégout A Olivier J Cardinali F Meneghetti M Armaroli N Nierengarten JF 《Chemical communications (Cambridge, England)》2006,(19):2054-2056
The synthesis and excited state properties of a compound assembling C60 with a new multi-photon absorption chromophore are reported. 相似文献