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.     

Simple and Precise Quantification of Iron Catalyst Content in Carbon Nanotubes Using UV/Visible Spectroscopy

Iron catalysts have been used widely for the mass production of carbon nanotubes (CNTs) with high yield. In this study, UV/visible spectroscopy was used to determine the Fe catalyst content in CNTs using a colorimetric technique. Fe ions in solution form red–orange complexes with 1,10-phenanthroline, producing an absorption peak at λ=510 nm, the intensity of which is proportional to the solution Fe concentration. A series of standard Fe solutions were formulated to establish the relationship between optical absorbance and Fe concentration. Many Fe catalysts were microscopically observed to be encased by graphitic layers, thus preventing their extraction. Fe catalyst dissolution from CNTs was investigated with various single and mixed acids, and Fe concentration was found to be highest with CNTs being held at reflux in HClO₄/HNO₃ and H₂SO₄/HNO₃ mixtures. This novel colorimetric method to measure Fe concentrations by UV/Vis spectroscopy was validated by inductively coupled plasma optical emission spectroscopy, indicating its reliability and applicability to asses Fe content in CNTs.     

Correction to: Involutions of Type G2 over a Field of Characteristic Two

Algebras and Representation Theory - We would like to correct two errors in our paper Involutions of type G2 over a field of characteristic 2 [2].     

Real time estimation of CO2 laser weld quality for automotive industry

Laser welding is one of the most precise welding processes in joining sheet metals. In laser welding, performing real time evaluation of the welding quality is very important to enhance the efficiency of the welding process. In this study, the plasma and spatter, which are generated during laser welding, are measured using UV and IR photodiodes. The factors that influence weld quality are classified into five categories; optimal heat input, slightly low heat input, low heat input, partial joining due to gap mismatch, and nozzle deviation. The data number deviated from reference signals and their standard deviations were also considered to evaluate the qualities. A system was also formulated to perform real time evaluations of the weld quality using a fuzzy multi-feature pattern recognition with the measured signals.     

Density functionals for exchange and correlation energies: Exact conditions and comparison of approximations

A set of exact conditions is compiled for the purpose of developing and testing approximations for the exchange-correlation energy as a functional of the electron density. Special emphasis is placed upon recently developed density-scaling relationships. Commonly used generalized gradient approximations are compared against several of these conditions. A direct tabular comparison of these functionals (not of calculated properties) with one another is also made. © 1994 John Wiley & Sons, Inc.     

Patterns at the onset of electroconvection in freely suspended smectic films

We report the results of experiments on electrically driven convection that occurs in a thin, freely suspended film of smectic A liquid crystal when an electric field is applied in the plane of the film. Convection in a vortex pattern is found above a well-defined critical voltage. The film behaves as a two-dimensional isotropic liquid: neither its thickness nor the director field are modified by the flow. We present measurements of the critical voltage at the onset of convection in two experimental configurations—one which allows the injection of charges into the film from the electrodes, and one which does not. When injection is present, the critical voltage for the onset of flow increases monotonically with increasing frequency of applied field. With no injection, there is no instability at DC and the critical voltage diverges there. The nature of the flow pattern observed at onset changes with frequency. Below a certain frequency the film flows in vortices that extend over the width of the film; above this frequency the flow is confined to two lines of smaller vortices localized along the electrodes. We present a simple discussion of the mechanisms which drive the convection.     

A detailed study of the generation of optically detectable watermarks using the logistic map

A digital watermark is a visible, or preferably invisible, identification code that is permanently embedded in digital media, to prove owner authentication and provide protection for documents. Given the interest in watermark generation using chaotic functions a detailed study of one chaotic function for this purpose is performed. In this paper, we present an approach for the generation of watermarks using the logistic map. Using this function, in conjunction with seed management, it is possible to generate chaotic sequences that may be used to create highpass or lowpass digital watermarks. In this paper we provide a detailed study on the generation of optically detectable watermarks and we provide some guidelines on successful chaotic watermark generation using the logistic map, and show using a recently published scheme, how care must be taken in the selection of the function seed.     

Heuristic Solution Methods for the Multilevel Generalized Assignment Problem

The multilevel generalized assignment problem is a problem of assigning agents to tasks where the agents can perform tasks at more than one efficiency level. A profit is associated with each assignment and the objective of the problem is profit maximization. Two heuristic solution methods are presented for the problem. The heuristics are developed from solution methods for the generalized assignment problem. One method uses a regret minimization approach whilst the other method uses a repair approach on a relaxation of the problem. The heuristics are able to solve moderately large instances of the problem rapidly and effectively. Procedures for deriving an upper bound on the solution of the problem are also described. On larger and harder instances of the problem one heuristic is particularly effective.