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81.
Odn Arjona Roberto Fernndez de la Pradilla Angel Martin-Domenech Joaquin Plumet 《Tetrahedron》1990,46(24):8187-8198
The nucleophilic Sn2' bridge opening of 7-oxabicyclo[2.2.1] hept-5-en-2-ols with organolithium reagents occurs in a regio- and stereospecific fashion to produce 6-substituted-cyclohex-4-en-1,3-diols, regardless of the stereochemistry at C-2. A free alcohol functionality is necessary to attain complete regiocontrol of the process. The methodology is utilized to prepare an optically pure cyclohexene derivative, (+)-(1S,3S,6R)-6-n-butyl-3-methyl-cyclohex-4-en-1,3-diol (5b), as a model system. 相似文献
82.
Dr. Miriam Corredor Dr. Daniel Carbajo Cecilia Domingo Dr. Yolanda Pérez Dr. Jordi Bujons Prof. Dr. Angel Messeguer Dr. Ignacio Alfonso 《Angewandte Chemie (International ed. in English)》2018,57(37):11973-11977
Despite heparin being the most widely used macromolecular drug, the design of small‐molecule ligands to modulate its effects has been hampered by the structural properties of this polyanionic polysaccharide. Now a dynamic covalent selection approach is used to identify a new ligand for heparin, assembled from extremely simple building blocks. The amplified molecule strongly binds to heparin (KD in the low μm range, ITC) by a combination of electrostatic, hydrogen bonding, and CH–π interactions as shown by NMR and molecular modeling. Moreover, this ligand reverts the inhibitory effect of heparin within an enzymatic cascade reaction related to blood coagulation. This study demonstrates the power of dynamic covalent chemistry for the discovery of new modulators of biologically relevant glycosaminoglycans. 相似文献
83.
H. Dupont Durst Luis Echegoyen George W. Gokel Angel Kaifer 《Tetrahedron letters》1982,23(43):4449-4452
The 13C spin-lattice relaxation times (T1's) of cryptands [2.1.1], [2.2.1] and [2.2.2] as well as those of the corresponding cryptate complexes with Li+, Na+, and K+ in CDCl3 and CH3OH:D2O (90:10) were measured and the results are interpreted in terms of molecular compression and desolvation effects. 相似文献
84.
Angel Alberola Luis Calvo Teresa Rodríguez Rodríguez Carmen Saudo 《Journal of heterocyclic chemistry》1992,29(2):445-450
The reactivity of 3-methyl-5-phenylisoxazole against electrophilic compounds in the presence of different bases is studied. With n-BuLi, alkylated products at C-4 position and C-3 methyl group, and, in a few cases, dialkylated isoxazoles are obtained. When the reactions are carried out with LICA, the nature of the alkylated products depends on the alkyl halide used. By using LICA-TMEDA, as deprotonating system, regio-selective reaction at the C-3 methyl group is found. 相似文献
85.
René Guardiola Romero Angel Dago Morales Julio Duque Rodríguez José Fernández Bertrán 《Transition Metal Chemistry》1992,17(6):573-574
The structure of K3(Me4N)3[Co(CN)6]2·3H2O has been determined from three-dimensional X-ray diffraction data. The unit cell is formed by parallel layers of cobalt
octahedra [CoC6] and potassium octahedra, [K(1)N5O(1)], separated byc/2. In each layer both types of octahedra are located alternatively. The [MeN4]+ tetrahedra are located in the cavities between the two layers of octahedra. The crystal structure of this compound is the
first example of its type.
TMC 2483 相似文献
86.
Luis Angel García-Escudero Alfonso Gordaliza Carlos Matrán Agustín Mayo-Iscar 《Advances in Data Analysis and Classification》2010,4(2-3):89-109
Deviations from theoretical assumptions together with the presence of certain amount of outlying observations are common in many practical statistical applications. This is also the case when applying Cluster Analysis methods, where those troubles could lead to unsatisfactory clustering results. Robust Clustering methods are aimed at avoiding these unsatisfactory results. Moreover, there exist certain connections between robust procedures and Cluster Analysis that make Robust Clustering an appealing unifying framework. A review of different robust clustering approaches in the literature is presented. Special attention is paid to methods based on trimming which try to discard most outlying data when carrying out the clustering process. 相似文献
87.
Parking Capacity and Pricing in Park'n Ride Trips: A Continuous Equilibrium Network Design Problem 总被引:2,自引:0,他引:2
In this paper we consider the problem of designing parking facilities for park'n ride trips. We present a new continuous equilibrium network design problem to decide the capacity and fare of these parking lots at a tactical level. We assume that the parking facilities have already been located and other topological decisions have already been taken.The modeling approach proposed is mathematical programming with equilibrium constraints. In the outer optimization problem, a central Authority evaluates the performance of the transport network for each network design decision. In the inner problem a multimodal traffic assignment with combined modes, formulated as a variational inequality problem, generates the share demand for modes of transportation, and for parking facilities as a function of the design variables of the parking lots. The objective is to make optimal parking investment and pricing decisions in order to minimize the total travel cost in a subnetwork of the multimodal transportation system.We present a new development in model formulation based on the use of generalized parking link cost as a design variable.The bilevel model is solved by a simulated annealing algorithm applied to the continuous and non-negative design decision variables. Numerical tests are reported in order to illustrate the use of the model, and the ability of the approach to solve applications of moderate size. 相似文献
88.
For any 2D triangulation τ, the 1-skeleton mesh of τ is the wireframe mesh defined by the edges of τ, while that for any 3D triangulation τ, the 1-skeleton and the 2-skeleton meshes, respectively, correspond to the wireframe mesh formed by the edges of τ and the “surface” mesh defined by the triangular faces of τ. A skeleton-regular partition of a triangle or a tetrahedra, is a partition that globally applied over each element of a conforming mesh (where the intersection of adjacent elements is a vertex or a common face, or a common edge) produce both a refined conforming mesh and refined and conforming skeleton meshes. Such a partition divides all the edges (and all the faces) of an individual element in the same number of edges (faces). We prove that sequences of meshes constructed by applying a skeleton-regular partition over each element of the preceding mesh have an associated set of difference equations which relate the number of elements, faces, edges and vertices of the nth and (n−1)th meshes. By using these constitutive difference equations we prove that asymptotically the average number of adjacencies over these meshes (number of triangles by node and number of tetrahedra by vertex) is constant when n goes to infinity. We relate these results with the non-degeneracy properties of longest-edge based partitions in 2D and include empirical results which support the conjecture that analogous results hold in 3D. 相似文献
89.
An automorphism of an abelian variety induces a decomposition of the variety up to isogeny. There are two such results, namely the isotypical decomposition and Roan’s decomposition theorem. We show that they are essentially the same. Moreover, we generalize in a sense this result to abelian varieties with action of an arbitrary finite abelian group. An early version of this article was inadvertently published before all the revisions had been completed and then retracted [https://doi.org/10.1007/s00013-018-1244-3]. This article is the final peer reviewed version.
相似文献90.
Kissi Benaissa Parron Vera Miguel Angel Rubio Cintas Maria Dlolores Dubujet Philippe Khamlichi Abdellatif Bezzazi Mohammed El Bakkali Larbi 《Applied Mathematical Modelling》2012
CFD simulation with enhanced modeling of turbulence and near-wall treatment is used to model water–clay mixtures flowing through a cylindrical pipe domain. Effects on the wall-shear stress resulting from varying water clay content and applied hydraulic gradient are analyzed. Various parametric studies were performed and had shown that the two-dimensional modelling introduced in the present study does not yield a uniform wall-shear stress along the pipe wall and that clay concentration affects significantly the wall-shear stress value. This is in contrast with the common hypothesis used in one-dimensional modeling approaches where this stress is assumed constant and which gives rise to uniform erosion along the pipe wall. The obtained results had enabled predicting more realistically erosion amount and had allowed for understanding the irregular eroded hole wall shape as observed experimentally after performing the standard hole erosion test. 相似文献