SpecTool: a knowledge-based hypermedia system for interpreting molecular spectra

Summary A hypermedia environment was designed to set up a collection of reference data, reference spectra and computational tools. The system may serve as an aid for the combined interpretation of molecular spectra. This paper describes the context dependent presentation of the pieces of information.     

Discussion of “Second order topological sensitivity analysis” by J. Rocha de Faria et al.

The aim of this discussion is to expose incorrect results in a previous IJSS article.     

SEARCH THEORY IN NATURAL RESOURCE MODELING

The role of search theory in the exploitation of natural resources is discussed in this paper. After a brief history and taxonomy of search problems, the mathematics of search is discussed. This includes underlying probability distributions, the differential equations of search, Bayesian use of search information and optimization problems in search theory. The theory is illustrated by applications in fisheries, pest control, animal foraging, and oil and mineral exploration.     

Oligomérisation anionique de l'ethylène. I. Etude cinétique

A kinetic study of ethylene oligomerization in hexane, in the presence of n-BuLi–TMEDA complexes, allowed us to suggest a new mechanism for anionic ethylene oligomerization. n-BuLi and n-Bu(CH₂CH₂)Li species have the same reactivity. The RLi–TMEDA complex in a 1-to-1 stoichiometry is the active species. The following kinetic equation has been established: It reflects the intervention of associated species (n-BuLi–TMEDA)₂ as well as the influence of the concentration of the complexing agent on the kinetics of oligomerization.     

Efficient and practical Ag-catalyzed cycloadditions between arylimines and the Danishefsky diene

An efficient Ag-catalyzed method for asymmetric addition of the Danishefsky diene to various aryl imines to afford cycloadducts in > or =89% ee and > or =85% isolated yield is reported. Reactions are effected with 0.1-1 mol % catalyst (4 degrees C), and the chiral ligand is readily prepared from commercially available materials, including the inexpensive i-Leu. These catalytic asymmetric cycloadditions can be carried out without the use of solvent or with undistilled THF in air. A first generation supported chiral catalyst that effectively promotes the cycloaddition reaction and can be recycled (five cycles) is described.     

Enzyme and microbial sensors for phosphate, phenols, pesticides and peroxides

Biosensors employing a biocatalyst on a different level of integration have been developed for monitoring environmental pollution. These probes range from laboratory specimen to commercial detectors applied to analyzers. Recent developments on amperometric enzyme and microbial biosensors are presented here. A monoenzymatic bulk-type carbon electrode is described for biosensing organic hydroperoxides in aqueous solutions; peroxidase is immobilized within the electrode body and the direct electron transfer between electrode and enzyme is measured. Both, reversible and irreversible inhibitors of acetylcholinesterase have been quantified by using a kinetically controlled acetylcholine enzyme sequence electrode. The inhibitory effect of pesticides such as butoxycarboxime, dimethoate, and trichlorfon could be quantified within 6 min in molar concentrations. Different multi-enzyme electrodes have been developed for the determination of inorganic phosphate. These sensors represent examples of sequentially acting enzymes in combination with enzymatic analyte recycling. Using this type of amplification nanomolar concentrations can be measured.     

Stereoelective polymerization of D,L-lactide using N-heterocyclic carbene based compounds

A new Zn alkoxide catalyst supported by an N-heterocyclic carbene rapidly polymerizes D,L-lactide (D,L-LA) to heterotactic enriched poly(lactide)(PLA), while the free carbene and analogs instead yield highly isotactic enriched PLA.