Rational Development of Remote C−H Functionalization of Biphenyl: Experimental and Computational Studies

A simple and efficient nitrile-directed meta-C−H olefination, acetoxylation, and iodination of biaryl compounds is reported. Compared to the previous approach of installing a complex U-shaped template to achieve a molecular U-turn and assemble the large-sized cyclophane transition state for the remote C−H activation, a synthetically useful phenyl nitrile functional group could also direct remote meta-C−H activation. This reaction provides a useful method for the modification of biaryl compounds because the nitrile group can be readily converted to amines, acids, amides, or other heterocycles. Notably, the remote meta-selectivity of biphenylnitriles could not be expected from previous results with a macrocyclophane nitrile template. DFT computational studies show that a ligand-containing Pd–Ag heterodimeric transition state (TS) favors the desired remote meta-selectivity. Control experiments demonstrate the directing effect of the nitrile group and exclude the possibility of non-directed meta-C−H activation. Substituted 2-pyridone ligands were found to be key in assisting the cleavage of the meta-C−H bond in the concerted metalation–deprotonation (CMD) process.     

Applying Stochastic Algorithms to a Locomotive Scheduling Problem

This paper addresses a problem common to all railway networks. Given a fixed train timetable and locomotives (or other forms of traction) of various types, each train must be allocated a locomotive. This paper examines the use of stochastic algorithms for such a problem. Two types of algorithm are used—a simple ‘local improvement’ method, performed successively from randomly chosen starting points, and a ‘simulated annealing’ approach. Both are found to give considerably better results than a deterministic method in current use, and the annealing approach is probably the better stochastic method.     

Die Bestimmung des Harzes in Seifen und Fetten

Ohne Zusammenfassung     

Coupling of a multilevel fast multipole method and a microlocal discretization for the 3-D integral equations of electromagnetism

The aim of this work is to propose an accurate and efficient numerical approximation for high frequency diffraction of electromagnetic waves. In the context of the boundary integral equations presented in F. Collino and B. Després, to be published in J. Comput. Appl. Math., the strategy we propose combines the microlocal discretization (T. Abboud et al., in: Third International Conference on Mathematical Aspects of Wave Propagation Phenomena, SIAM, 1995, pp. 178–187) and the multilevel fast multipole method (J.M. Song, W.C. Chew, Microw. Opt. Tech. Lett. 10 (1) (1995) 14–19). This leads to a numerical method with a reduced complexity, of order O(N^4/3ln(N)+N_iterN^2/3), instead of the complexity O(N_iterN²) for a classical numerical iterative solution of integral equations. Computations on an academic geometry show that the new method improves the efficiency, for a solution with a good level of accuracy. To cite this article: A. Bachelot et al., C. R. Acad. Sci. Paris, Ser. I 336 (2003).     

NMR protocol for on-line Brix determination

Water suppression by diffusive attenuation was used to measure Brix in intact cellular tissue of apple and strawberry. Given the signal-to-noise ratio, the correlation for apple was established without repeated acquisition, so this protocol should also be useful for rapid, on-line measurements at low spectrometer frequencies. Water suppression by theT ₁-Null method fails with cellular tissue because of the considerable variation in the longitudinal relaxation times of vacuolar and cytoplasmic water.     

Learning to See: Making Sense of the Mathematics of Change in Middle School

In this article, we will describe the results of a study of 6th grade students learning about the mathematics of change. The students in this study worked with software environments for the computer and the graphing calculator that included a simulation of a moving elevator, linked to a graph of its velocity vs. time. We will describe how the students and their teacher negotiated the mathematical meanings of these representations, in interaction with the software and other representational tools available in the classroom. The class developed ways of selectively attending to specific features of stacks of centimeter cubes, hand-drawn graphs, and graphs (labeled velocity vs. time) on the computer screen. In addition, the class became adept at imagining the motions that corresponded to various velocity vs. time graphs. In this article, we describe this development as a process of learning to see mathematical representations of motion. The main question this article addresses is: How do students learn to see mathematical representations in ways that are consistent with the discipline of mathematics? This revised version was published online in July 2006 with corrections to the Cover Date.     

Mesh selection for stiff two-point boundary value problems

This paper is concerned with the mesh selection algorithm of COLSYS, a well known collocation code for solving systems of boundary value problems. COLSYS was originally designed to solve non-stiff and mildly stiff problems only. In this paper we show that its performance for solving extremely stiff problems can be considerably improved by modifying its error estimation and mesh selection algorithms. Numerical examples indicate the superiority of the modified algorithm.Dedicated to John Butcher on the occasion of his sixtieth birthday     

Group valued measures with the lyapunoff property

Dopo aver dato una definizione di parte convessa di un gruppo topologico, si stabilisce una condizione affinchè il condominio di una misura sia convesso.