The effects of the nature of catalyst and of the solvent on the stereoselectivity in amine-catalyzed asymmetric synthesis of substituted cyclohexa-1,3-dienes from prenal and monoesters of ylidenemalonic acids

In the amine-catalyzed reactions of prenal with (Z)-5-methyl-2-(methoxycarbonyl)hexa-2,4-dienoic or (Z)-3-phenyl-2-(ethoxycarbonyl)prop-2-enoic acid chiral β-amino alcohols provide for higher enantiomeric purity of the resulting alkyl 4-methyl-6-(2-methylprop-1-enyl)-and 4-methyl-6-phenylcyclohexa-1,3-dienoates than that provided by related chiral amines without hydroxy group. The values ofee attained in nonpolar solvents are higher than those observed in the polar ones. Substituting stoichiometric amounts of a chiral 1-amino-3-methylbuta-1,3-diene for a combination of prenal with 0.1 equiv. of the corresponding chiral amine results in the products of much lower enantiomeric purity. Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 1, pp. 84–92, January, 1998.     

Chip-Firing Games on Directed Graphs

We consider the following (solitary) game: each node of a directed graph contains a pile of chips. A move consists of selecting a node with at least as many chips as its outdegree, and sending one chip along each outgoing edge to its neighbors. We extend to directed graphs several results on the undirected version obtained earlier by the authors, P. Shor, and G. Tardos, and we discuss some new topics such as periodicity, reachability, and probabilistic aspects.Among the new results specifically concerning digraphs, we relate the length of the shortest period of an infinite game to the length of the longest terminating game, and also to the access time of random walks on the same graph. These questions involve a study of the Laplace operator for directed graphs. We show that for many graphs, in particular for undirected graphs, the problem whether a given position of the chips can be reached from the initial position is polynomial time solvable.Finally, we show how the basic properties of the probabilistic abacus can be derived from our results.     

A Sharp Condition for the Ground State of Difference Equation

This note is concerned with a novel inequality condition for the existence of ground states of partial difference systems. Our result is potentially applicable to the estimation of eigenvalues of the loaded strings and nets.     

Two coordination polymers based on 2,2′-biimidazoles and d10 metal ions: syntheses,structures, and luminescence

Two d¹⁰ metal coordination polymers, [Zn(µ-Me₂biim)Cl₂] _n (1) and [Cd₃(MeHbiim)₂(1,4-BDC)₃] _n (2) (Me₂biim?=?N,N′-dimethyl-2,2′-biimidazole, MeHbiim?=?N-methyl-2,2′-biimidazole, 1,4-BDC?=?1,4-benzenedicarboxylate), were synthesized under hydrothermal conditions and characterized by elemental analysis, infrared spectroscopy, thermogravimetric analysis, and single-crystal X-ray crystallography. Complex 1 features an infinite neutral zigzag 1-D chain. Interchain hydrogen-bonding interactions further extend the 1-D arrangement to generate a 2-D supramolecular architecture. Complex 2 features a 3-D coordination polymer with α-Po net topology, based on linear trinuclear {Cd₃O₁₄N₄} clusters. Both complexes have high thermal stability and exhibit strong luminescence at room temperature.     

Analytical modeling of Transmission Control Protocol NewReno using Generalized Stochastic Petri Nets

This paper presents a novel analytical model of Transmission Control Protocol (TCP) using a generalized stochastic Petri net (GSPN). Extensive simulation work has been done for the performance evaluation of TCP NewReno protocol. In view of the limitations of the simulation technique, we present an analytical approach using GSPN. A GSPN is a useful mathematical tool that solves continuous time Markov chains for complex systems and evaluates the stationary behavior. In this paper, we analyze the slow‐but‐steady variant of TCP NewReno. The model captures the behavioral aspects of the slow start and the congestion avoidance phase together with the fast retransmit and recovery capabilities of TCP NewReno. Performance metrics such as throughput, goodput, and task completion time of the system are obtained. The effect of variation in the model parameters on the performance is studied. The results are validated using the network simulator, and their accuracy is verified by evaluating the confidence interval. The performance of the proposed model is compared with that of TCP Reno. The performance of the proposed model is also compared with one of the previous models. The numerical illustrations and comparison of the proposed technique with simulation validates the accuracy, efficiency, and competence of the GSPN technique. While GSPN modeling for TCP is investigated in depth for the TCP NewReno and TCP Reno variant in this paper, other protocols could be also analyzed similarly. Copyright © 2013 John Wiley & Sons, Ltd.     

Uniform random colored complexes

We present here random distributions on (D + 1)‐edge‐colored, bipartite graphs with a fixed number of vertices 2p. These graphs encode D‐dimensional orientable colored complexes. We investigate the behavior of those graphs as p→∞. The techniques involved in this study also yield a Central Limit Theorem for the genus of a uniform map of order p, as p→∞.     

Comment on “Extending Hirshfeld‐I to bulk and periodic materials”

In recent years, several methods have been developed that partition the electron density among atoms using spherically symmetric atomic weights. D. E. P. Vanpoucke, P. Bultinck, and I. Van Driessche (J. Comput. Chem. 2012, doi: 10.1002/jcc.23088) recently reported a periodic implementation of the Hirshfeld‐I method that uses a combination of Becke‐style and uniform integration grids and modified atomic reference densities to compute net atomic charges in periodic materials. Herein, this method is discussed in the context of earlier periodic implementations of the Hirshfeld‐I method, the Iterated Stockholder Atoms method, and the density derived electrostatic and chemical method.     

Metal ions Directed Self-assembly based on Mixed Ligands: From 2D hcb Net to 3D cds Framework

Two coordination polymers (CPs), namely, [Zn(BPDC)(3-bpdb)_0.5(H₂O)₂]_n ( 1 ), and [Ni(BPDC)(3-bpdb)(H₂O)₂]_n ( 2 ) (where H₂BPDC = 4,4'-biphenyldicarboxylic acid, 3-bpdb = 1,4-bis(3-pyridyl)-2,3-diaza-1,3-butadiene) have been solvothermally synthesized and characterized by single-crystal X-ray diffraction, IR, elemental analyses, PXRD, and SEM. CP 1 possesses a 2D 3-connected hcb net, and weak hydrogen bonding and π ··· π stacking contacts further link the 2D networks to form 3D supramolecular structure. The structure of 2 presents a 4-connected threefold interpenetrated cds framework. Through structural analysis, it is found that the coordination geometry of metal ions significantly affects the binding behaviors of the ligands and the resultant extended networks of the CPs. Besides, the Hirshfeld surface analyses detailed the surface characteristics of the two CPs. In addition, the thermal stabilities and photoluminescent properties were also investigated.     

一种价格时间Petri网的状态空间计算

价格时间Petri网是对web服务过程和工作流模型等进行时间和成本分析的一种新工具.而价格时间自动机则是一种相对成熟的工具.提出一种状态空间计算方法,可以将价格时间Petri网的状态空间构造为一个价格时间自动机.该方法的核心思想是在扩展状态类中增加价格参数.进一步证明了构造出的价格时间自动机和初始的价格时间Petri网是双相似的.