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21.
A search for pair-production of neutralinos at a LEP centre-of-mass energy of 189 GeV gave no evidence for a signal. This limits the neutralino production cross-section and excludes regions in the parameter space of the Minimal Supersymmetric Standard Model (MSSM). Received: 22 November 2000 / Revised version: 11 January 2001 / Published online: 15 March 2001  相似文献   
22.
Different families of new amino compounds were efficiently synthesized, through optimized sequential processes, involving rhodium catalyzed hydroformylation as the key step. The selection of appropriate hydroformylation catalytic systems and reaction conditions allowed obtaining aldehydes derived from several n-alkyl olefins, cholest-4-ene and 3-vinyl-1H-indole, which were subsequently transformed, in one-pot, in to α-amino acids via hydroformylation/Strecker reaction, and in to tertiary amines via hydroaminomethylation, with excellent yields.  相似文献   
23.
We extend the scope of a recent method for superimposing two molecules ( J. Chem. Phys. 2009, 131, 124126-1-124126-10 ) to include the identification of chiral structures. This methodology is tested by applying it to several organic molecules and water clusters that were subjected to geometry optimization. The accuracy of four simpler, non-superimposing approaches is then analyzed by comparing pairs of structures for argon and water clusters. The structures considered in this work were obtained by a Markovian walk in the coordinate space. First, a random geometry is generated, and then, the iterative application of a mutation operator ensures the creation of increasingly dissimilar structures. The discriminating power of the non-superimposing approaches is tested by comparing the corresponding dissimilarity measures with the root-mean-square distance obtained from the superimposing method. Finally, we showcase the application of those methods to characterize the diversity of solutions in global geometry optimization by evolutionary algorithms.  相似文献   
24.
Factors relevant for controlling the structures determined in the local optimization of argon clusters are investigated. In particular, the role of volume and shape for the box where initial structures are generated is assessed. A thorough characterization of the optimization is also presented, based on a nearest‐neighbor analysis, in clusters ranging from 30 to 55 atoms. This includes the assessment of the degree of preservation of aspects of the initial randomly generated structure in the final optimized counterpart, and the correlation between optimized energy and the number of nearest neighbors and average departure from the diatomic reference distance. The usefulness of this analysis to explore the energy landscape of atomic clusters is also highlighted. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010  相似文献   
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A search for a heavy standard model Higgs boson decaying via H→ZZ→→?(+)?(-)νν, where ?=e, μ, is presented. It is based on proton-proton collision data at √s=7 TeV, collected by the ATLAS experiment at the LHC in the first half of 2011 and corresponding to an integrated luminosity of 1.04 fb(-1). The data are compared to the expected standard model backgrounds. The data and the background expectations are found to be in agreement and upper limits are placed on the Higgs boson production cross section over the entire mass window considered; in particular, the production of a standard model Higgs boson is excluded in the region 340相似文献   
27.
The well-known Shortest Path problem (SP) consists in finding a shortest path from a source to a destination such that the total cost is minimized. The SP models practical and theoretical problems. However, several shortest path applications rely on uncertain data. The Robust Shortest Path problem (RSP) is a generalization of SP. In the former, the cost of each arc is defined by an interval of possible values for the arc cost. The objective is to minimize the maximum relative regret of the path from the source to the destination. This problem is known as the minmax relative regret RSP and it is NP-Hard. We propose a mixed integer linear programming formulation for this problem. The CPLEX branch-and-bound algorithm based on this formulation is able to find optimal solutions for all instances with 100 nodes, and has an average gap of 17 % on the instances with up to 1,500 nodes. We also develop heuristics with emphasis on providing efficient and scalable methods for solving large instances for the minmax relative regret RSP, based on Pilot method and random-key genetic algorithms. To the best of our knowledge, this is the first work to propose a linear formulation, an exact algorithm and metaheuristics for the minmax relative regret RSP.  相似文献   
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We give a sharp lower bound for the number of geometrically distinct contractible periodic orbits of dynamically convex Reeb flows on prequantizations of symplectic manifolds that are not aspherical. Several consequences of this result are obtained, like a new proof that every bumpy Finsler metric on \(S^n\) carries at least two prime closed geodesics, multiplicity of elliptic and non-hyperbolic periodic orbits for dynamically convex contact forms with finitely many geometrically distinct contractible closed orbits and precise estimates of the number of even periodic orbits of perfect contact forms. We also slightly relax the hypothesis of dynamical convexity. A fundamental ingredient in our proofs is the common index jump theorem due to Y. Long and C. Zhu.  相似文献   
30.
Nano titanium dioxide (nTiO2), generally considered to be toxicologically inert, is manufactured in large quantities and extensively applied in consumer products. The small size and large surface area endow them with an active group or intrinsic toxicity. Advances in instrumentation are making Raman spectroscopy the tool of choice for an increasing number of (bio) chemical applications. One of the great advantages of this technique is its ability to provide information on the concentration, structure and interaction of biochemical molecules in their microenvironments within intact cells and tissues, non-destructively. Zebrafish (Danio rerio), one of the most important vertebrate model organisms used in developmental biology, are increasingly used in biomedical research, particularly as a model of human disease. In the present work, an attempt is made to study the effect of titanium dioxide, both nano and bulk, on the microenvironment of the liver tissues of Zebrafish using FT-Raman spectroscopy. The results of the present study suggest that TiO2 exposure demonstrate a marked influence on the microenvironments of the liver tissues of Zebrafish. A shift to a higher wavenumber and an increase in the intensity of the band at ∼1087 cm−1 in the TiO2 exposed tissues suggest that some of the conformational changes resulting from the alkali recovery process takes place due to TiO2 exposure. The decreased intensity ratio (I3220/I3400) observed in the titanium-exposed tissues suggests a decreased water domain size, which could be interpreted in terms of weaker hydrogen-bonded molecular species of water in the TiO2 exposed tissues. The observed shift of COO bands to higher frequencies shows the disruption of salt bridges as a result of a change in the oppositely charged partners and due to the enhanced random coil conformation. The variation in the intensity ratio of the tyrosyl doublet (I858/I825) indicates variation in the hydrogen bonding of the phenolic hydroxyl group due to TiO2 exposure. The results further suggest that the microenvironments are greatly altered due to titanium nano exposure when compared to titanium bulk. In conclusion, the results indicate that FT-Raman spectroscopy might be a useful tool for rapid assessment of nano particle biological interactions.  相似文献   
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