Copper and iron interactions with angiotensin-converting enzyme inhibitors. A study by fast-atom bombardment tandem mass spectrometry

Fast atom bombardment, combined with high-energy collision-induced tandem mass spectrometry, has been used to investigate gas-phase metal-ion interactions with captopril, enalaprilat and lisinopril, all angiotensin-converting enzyme inhibitors.Suggestions for the location of metal-binding sites are presented. For captopril, metal binding occurs most likely at both the sulphur and the nitrogen atom. For enalaprilat and lisinopril, binding preferably occurs at the amine nitrogen. Copyright 1999 John Wiley & Sons, Ltd.     

Molecular recognition. Electrostatic effects in supramolecular self-assembly

A di-positively charged metal-based receptor is shown to form 1:1 or 2:1 association complexes with rigid, linear two-site guests depending on the site separation, suggesting that electrostatic repulsion controls the association nuclearity.     

Compact overtone band carbon monoxide laser

An electric-discharge carbon monoxide broadband overtone laser has been developed. The laser is capable of lasing on CO first overtone bands only (Δv = 2) and delivering up to 12 W cw power at efficiencies of up to 5%. The laser output consists of vibrational-rotational lines of the v = 9 → 7 to v = 35 → 33 overtone bands and covers the spectral range between 2.6 and 3.9 μm. Totally about 40-45 lines could be observed in the laser spectrum simultaneously. A kinetic modeling code has been developed to predict the power, efficiency, and the output spectrum of the CO overtone laser.     

Solution-phase structural characterization of supramolecular assemblies by molecular diffraction

Structures of four molecular squares based on rhenium coordination chemistry have been characterized in the solution phase using pair distribution function (PDF) analyses of wide-angle X-ray scattering measured to better than 1 A spatial resolution. In this report we have focused, in particular, on a comparison of structures for pyrazine- and bipyridine-edged squares measured in solution with structures determined for these molecules in the solid state using X-ray crystallography and models derived from geometry optimization and molecular dynamics simulations using a classical force field. The wide-angle scattering for these assemblies is dominated by pair correlations involving one or more rhenium atoms, with both edge and diagonal Re-Re interactions appearing prominently in PDF plots. The pyrazine square is characterized by a relatively rigid structure in solution, with PDF peak positions and linewidths corresponding closely to those calculated from crystal structure data. For the bipyridine-edged square, the experimental PDF peaks measured along the molecular sides match the positions and linewidths of the PDF peaks calculated from static models. In contrast, PDF peaks measured across the diagonal distances of the molecular square deviate significantly from those calculated from the static crystallographic and energy minimized models. The experimental data are instead indicative of configurational broadening of the diagonal distances. In this respect, molecular dynamics simulations point to the importance of butterfly type motions that modulate the Re-Re diagonal distance. Indeed, the experimental data are reasonably well fit by assuming a bimodal distribution of butterfly conformers differing by approximately 25 degrees in the Re-Re-Re-Re torsion angle. Additionally, the measurements provide evidence for solvent ordering by the supramolecular assemblies detected as regions of solvent association and exclusion.