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91.
Endre Boros Khaled Elbassioni Vladimir Gurvich Leonid Khachiyan 《Mathematical Programming》2003,98(1-3):355-368
A result of Balas and Yu (1989) states that the number of maximal independent sets of a graph G is at most p+1, where is the number of pairs of vertices in G at distance 2, and p is the cardinality of a maximum induced matching in G. In this paper, we give an analogue of this result for hypergraphs and, more generally, for subsets of vectors in the product of n lattices =1××n, where the notion of an induced matching in G is replaced by a certain binary tree each internal node of which is mapped into . We show that our bounds may be nearly sharp for arbitrarily large hypergraphs and lattices. As an application, we prove that the number of maximal infeasible vectors x=1××n for a system of polymatroid inequalities does not exceed max{Q,logt/c(2Q,)}, where is the number of minimal feasible vectors for the system, , , and c(,) is the unique positive root of the equation 2c(c/log–1)=1. This bound is nearly sharp for the Boolean case ={0,1}n, and it allows for the efficient generation of all minimal feasible sets to a given system of polymatroid inequalities with quasi-polynomially bounded right-hand sides .
This research was supported by the National Science Foundation (Grant IIS-0118635), and by the Office of Naval Research (Grant N00014-92-J-1375). The second and third authors are also grateful for the partial support by DIMACS, the National Science Foundation's Center for Discrete Mathematics and Theoretical Computer Science.Mathematics Subject Classification (2000):20E28, 20G40, 20C20 相似文献
92.
We consider primal-dual algorithms for certain types of infinite-dimensional optimization problems. Our approach is based on the generalization of the technique of finite-dimensional Euclidean Jordan algebras to the case of infinite-dimensional JB-algebras of finite rank. This generalization enables us to develop polynomial-time primal-dual algorithms for ``infinite-dimensional second-order cone programs.' We consider as an example a long-step primal-dual algorithm based on the Nesterov-Todd direction. It is shown that this algorithm can be generalized along with complexity estimates to the infinite-dimensional situation under consideration. An application is given to an important problem of control theory: multi-criteria analytic design of the linear regulator. The calculation of the Nesterov-Todd direction requires in this case solving one matrix differential Riccati equation plus solving a finite-dimensional system of linear algebraic equations on each iteration. The number of equations and unknown variables of this algebraic system is m+1, where m is a number of quadratic performance criteria.
Key words.polynomial-time primal-dual interior-point methods – JB-algebras – infinite-dimensional problems – optimal control problemsThis author was supported in part by DMS98-03191 and DMS01-02698.This author was supported in part by the Grant-in-Aid for Scientific Research (C) 11680463 of the Ministry of Education, Culture, Sports, Science and Technology of Japan.Mathematics Subject Classification (1991):90C51, 90C48, 34H05, 49N05 相似文献
93.
94.
Meg Duroux Leonid Gurevich Esben Skovsen Steffen B. Petersen 《Applied Surface Science》2007,254(4):1126-1130
Ultraviolet light can be used to immobilize biomolecules onto thiol reactive surfaces in order to, e.g., make biosensors. The mechanism involves light-induced formation of free, reactive thiol groups in disulphide containing molecules. This technology allows for the creation of arrays of biomolecules with a high degree of reproducibility, circumventing the need for often expensive nano/micro-dispensing technologies. The ultimate size of the immobilized spots is defined by the focal area of the UV beam. Light-induced immobilization has the added benefit that the immobilized molecules will be spatially oriented and covalently bound to the surface. In this paper, we demonstrate the utility of a sensor array created with the new sensor technology when integrated into a microfluidic system. Protein arrays made using light-induced immobilization showed successful antigen/antibody binding in a flow cell allowing the visualisation of real time binding and enzyme activity. This new technology is ideal for the creation of protein/DNA microarrays, can replace present micro-dispensing arraying technologies and is ideal as a molecular imprinting technology. 相似文献
95.
Leonid N. Bochkarev Vladislav I. Scherbakov Irina P. Malysheva Galina V. Basova Natalia E. Stolyarova Irina K. Grigorieva Andrey L. Bochkarev Georgii K. Fukin Yurii A. Kurskii Gleb A. Abakumov 《Journal of organometallic chemistry》2006,691(5):983-986
The novel silicon-, germanium- and tin-containing imido alkyl complexes of tungsten of the type (ArN)2W(CH2EMe3)2 (; E = Si (1), Ge (2), Sn (3)) have been prepared by the reactions of (ArN)2WCl2(dme) (dme = 1,2-dimethoxyethane) with heteroelement-containing alkyllithium or Grignard reagents Me3ECH2Li (E = Si, Ge), Me3ECH2MgCl (E = Ge, Sn). The title compounds were isolated in high yields as crystalline solids and characterized by elemental analysis, IR, 1H, 13C, 29Si and 119Sn NMR spectroscopy and X-ray diffraction studies. The geometry of the W atoms in the compounds can be described as a distorted tetrahedron. 相似文献
96.
The vibronic and spin-orbit-induced interactions among the (3)Sigma(-), (1)Delta, and (1)Sigma(+) electronic states arising from a half-filled pi orbital of a linear triatomic molecule are considered, employing the microscopic (Breit-Pauli) spin-orbit coupling operator. The 6 x 6 Hamiltonian matrix is derived in a diabatic spin-orbital electronic basis set, including terms up to fourth order in the expansion of the molecular Hamiltonian in the bending normal coordinate about the linear geometry. The symmetry properties of the Hamiltonian are analyzed. Aside from the nonrelativistic fourth-order Renner-Teller vibronic coupling within the (1)Delta state and the second-order nonrelativistic vibronic coupling between the (1)Sigma(+) and (1)Delta states, there exist zeroth-order, first-order, as well as third-order vibronic coupling terms of spin-orbit origin. The latter are absent when the phenomenological expression for the spin-orbit coupling operator is used instead of the microscopic form. The effects of the nonrelativistic and spin-orbit-induced vibronic coupling mechanisms on the (3)Sigma(-), (1)Delta, and (1)Sigma(+) adiabatic potential energy surfaces as well as on the spin-vibronic energy levels are discussed for selected parameter values. 相似文献
97.
Johannes Ihli Leonid Bloch Frank Krumeich Klaus Wakonig Mirko Holler Manuel Guizar‐Sicairos Thomas Weber Julio Cesar da Silva Jeroen Anton van Bokhoven 《Angewandte Chemie (International ed. in English)》2020,59(39):17266-17271
Hydrodesulphurization, the removal of sulphur from crude oils, is an essential catalytic process in the petroleum industry safeguarding the production of clean hydrocarbons. Sulphur removal is critical for the functionality of downstream processes and vital to the elimination of environmental pollutants. The effectiveness of such an endeavour is among other factors determined by the structural arrangement of the heterogeneous catalyst. Namely, the accessibility of the catalytically active molybdenum disulphide (MoS2) slabs located on the surfaces of a porous alumina carrier. Here, we examined a series of pristine sulfided Mo and NiMo hydrodesulphurization catalysts of increasing metal loading prepared on commercial alumina carriers using ptychographic X‐ray computed nanotomography. Structural analysis revealed a build consisting of two interwoven support matrix elements differing in nanoporosity. With increasing metal loading, approaching that of industrial catalysts, these matrix elements exhibit a progressively dissimilar MoS2 surface coverage as well as MoS2 cluster formation at the matrix element boundaries. This is suggestive of metal deposition limitations and/ or catalyst activation and following prohibitive of optimal catalytic utilization. These results will allow for diffusivity calculations, a better rationale of current generation catalyst performance as well as a better distribution of the active phase in next‐generation hydrodesulphurization catalysts. 相似文献
98.
Egor A. Kapitonov Natalia N. Petrova Vasilii V. Mukhin Leonid A. Nikiforov Vladimir D. Gogolev Ee Le Shim Aitalina A. Okhlopkova Jin-Ho Cho 《Molecules (Basel, Switzerland)》2021,26(4)
The physical and mechanical properties of nitrile–butadiene rubber (NBR) composites with N-cetylpyridinium bromide-carbon black (CPB-CB) were investigated. Addition of 5 parts per hundred rubber (phr) of CPB-CB into NBR improved the tensile strength by 124%, vulcanization rate by 41%, shore hardness by 15%, and decreased the volumetric wear by 7% compared to those of the base rubber-CB composite. 相似文献
99.
We consider the nonanalytic temperature dependences of the specific heat coefficient, C(T)/T, and spin susceptibility, chi(s)(T), of 2D interacting fermions beyond the weak-coupling limit. We demonstrate within the Luttinger-Ward formalism that the leading temperature dependences of C(T)/T and chi(s)(T) are linear in T, and are described by the Fermi liquid theory. We show that these temperature dependences are universally determined by the states near the Fermi level and, for a generic interaction, are expressed via the spin and charge components of the exact backscattering amplitude of quasiparticles. We compare our theory to recent experiments on monolayers of He3. 相似文献
100.
Petrova T Okovytyy S Gorb L Leszczynski J 《The journal of physical chemistry. A》2008,112(23):5224-5235
Different possible pathways of the aminolysis reaction of succinic anhydride were investigated by applying high level electronic structure theory, examining the general base catalysis by amine and the general acid catalysis by acetic acid, and studying the effect of solvent. The density functional theory at the B3LYP/6-31G(d) and B3LYP/6-311++G(d,p) levels was employed to investigate the reaction pathways for the aminolysis reaction between succinic anhydride and methylamine. The single point ab initio calculations were based on the second-order M?ller-Plesset perturbation theory (MP2) with 6-31G(d) and 6-311++G(d,p) basis sets and CCSD(T)/6-31G(d) level calculations for geometries optimized at the B3LYP/6-311++G(d,p) level of theory. A detailed analysis of the atomic movements during the process of concerted aminolysis was further obtained by intrinsic reaction coordinate calculations. Solvent effects were assessed by the polarized continuum model method. The results show that the concerted mechanism of noncatalyzed aminolysis has distinctly lower activation energy compared with the addition/elimination stepwise mechanism. In the case of the process catalyzed by a second methylamine molecule, asynchronous proton transfer takes place, while the transition vectors of the acid-catalyzed transition states correspond to the simultaneous motion of protons. The most favorable pathway of the reaction was found through the bifunctional acid catalyzed stepwise mechanism that involves formation of eight-membered rings in the transition state structures. The difference between the activation barriers for the two mechanisms averages 2 kcal/mol at various levels of theory. 相似文献