Zur komplexchemie von 4-zentren-π-systemen : XII. Glyoxaldiiminkomplexe: 1H-nmr-spektren und long range-kopplungen

Glyoxaldiimines (I) RN=CHCH=NR show in the NMR a downfield shift of glyoxalic protons (H_gly) when complexed to

(II: M = Mo, W), but increasing high field shifts when going to

(III) and

complexes (IV). In the tungsten complexes II H_glyW coupling satellites are resolved (J(WH) ≈4–6 Hz); in the phosphine compounds III, IV long range PH_gly coupling is clearly visible. Mechanisms of spinspin interaction are briefly discussed in connection with the EPR results on monoanionic radicals of II–IV.     

Orientation control of perovskite thin films on glass substrates by the application of a seed layer prepared from oxide nanosheets

Orientation control of perovskite compounds was investigated by the application of a seed layer prepared from oxide nanosheets. An aqueous suspension of oxide nanosheets was prepared by the exfoliation of a layered compound of KCa₂Nb₃O₁₀ oxide grains. A seed layer composed of (TBA)Ca₂Nb₃O₁₀ nanosheets (TBA = tetrabutylammonium) was formed on a glass substrate by simply dip coating it in the suspension. Two kinds of perovskite compounds, LaNiO₃ (LNO) and Pb(Zr,Ti)O₃ (PZT) with a preferred orientation of (00l) were successfully grown on this seeded glass substrate. In this study, the relation between lattice mismatch and electrical properties is investigated. A large, oriented PZT film with a size of 5 ×4 cm shows an improved P-E hysteresis behavior by use of this orientation control.     

Safety Stock Determination with Serially Correlated Demand in a Periodic-Review Inventory System

We consider a periodic-review inventory replenishment model with an order-up-to-R operating doctrine for the case of deterministic lead times and a covariance-stationary stochastic demand process. A method is derived for setting the inventory safety stock to achieve an exact desired stockout probability when the autocovariance function for Gaussian demand is known. Because the method does not require that parametric time-series models be fit to the data, it is easily implemented in practice. Moreover, the method is shown to be asymptotically valid when the autocovariance function of demand is estimated from historical data. The effects on the stockout rate of various levels of autocorrelated demand are demonstrated for situations in which autocorrelation in demand goes undetected or is ignored by the inventory manager. Similarly, the changes to the required level of safety stock are demonstrated for varying levels of autocorrelation.     

Optimal Control of an <Emphasis Type="Italic">M/E</Emphasis><Subscript><Emphasis Type="Italic">k</Emphasis></Subscript>/1 Queueing System with a Removable Service Station

This paper studies the optimal operation of an M/E _k /1 queueing system with a removable service station under steady-state conditions. Analytic closed-form solutions of the controllable M/E _k /1 queueing system are derived. This is a generalization of the controllable M/M/1, the ordinary M/E _k /1, and the ordinary M/M/1 queueing systems in the literature. We prove that the probability that the service station is busy in the steady-state is equal to the traffic intensity. Following the construction of the expected cost function per unit time, we determine the optimal operating policy at minimum cost.     

An Algorithm for the Economic Design of <Emphasis Type="Italic">np</Emphasis> Charts for a Multiplicity of Assignable Causes

Chiu, in 1976, studied the economic design of np charts for processes subject to a multiplicity of assignable causes. Chiu developed a two-step minimization procedure to obtain the three control variables, namely, the sampling interval, the sample size and the acceptance number. Although Chiu's two-step minimization procedure is simple, applicable and down to earth, it is rather inefficient and has some drawbacks. This paper presents an algorithm to overcome these drawbacks. The results and the execution times of all numerical examples show that the accuracy and the efficiency of the algorithm is reasonably good.     

A Heuristic Decomposition Algorithm for Scheduling Problems on Mixed Graphs

We consider a scheduling problem where a set of n jobs has to be processed on a set of m machines and arbitrary precedence constraints between operations are given. Moreover, for any two operations i and j values a _ij >0 and a _ji >0 may be given where a _ij is the minimal difference between the starting times of operations i and j when operation i is processed first. Often, the objective is to minimize the makespan but we consider also arbitrary regular criteria. Even the special cases of the classical job shop problem J//C_max belong to the set of NP-hard problems. Therefore, approximation or heuristic algorithms are necessary to handle large-dimension problems. Based on the mixed graph model we give a heuristic decomposition algorithm for such a problem, i.e. the initial problem is partitioned into subproblems that can be solved exactly or approximately with a small error bound. These subproblems are obtained by a relaxation of a subset of the set of undirected edges of the mixed graph. The subproblems are successively solved and a proportion of the results obtained for one subproblem is kept for further subproblem definitions. Numerical results of the algorithm presented here are given.     

Availability Analysis of Repairable <Emphasis Type="Italic">N</Emphasis>-Server <Emphasis Type="Italic">n</Emphasis><Subscript><Emphasis Type="Italic">i</Emphasis></Subscript>-Replicated Systems

We develop an exact closed-form expression for the steady-state availability of a repairable, N-server system in which the ith server contains n _i identical, reconfigurable, breakdown-prone units. Our approach, which follows from the Markov chain balance equations and the recursive properties of Hessenberg matrix determinants, is simpler than previously proposed matrix geometric approaches, and can readily be adapted to the availability analysis of more complicated structures. We illustrate this by computing the steady-state availability of a mixed parallel-serial gracefully degrading replicated system.     

Structure-based identification and clustering of protein families and superfamilies

Summary We describe an approach to protein structure comparison designed to detect distantly related proteins of similar fold, where the procedure must be sufficiently flexible to take into account the elasticity of protein folds without losing specificity. Protein structures are represented as a series of secondary structure elements, where for each element a local environment describes its relations with the elements that surround it. Secondary structures are then aligned by comparing their features and local environments. The procedure is illustrated with searches of a database of 468 protein structures in order to identify proteins of similar topology to porcine pepsin, porphobilinogen deaminase and serum amyloid P-component. In all cases the searches correctly identify protein structures of similar fold as the search proteins. Multiple cross-comparisons of protein structures allow the clustering of proteins of similar fold. This is exemplified with a clustering of /- and -class protein structures. We discuss applications of the comparison and clustering of three-dimensional protein structures to comparative modelling and structure-based protein design.