Molecular Structure and Internal Dynamics of 2-Hydroxyacetophenone by Free-Jet Absorption Millimeter-Wave Spectroscopy.

The rotational spectrum of 2'-hydroxyacetophenone has been recorded and assigned for the first time using a Stark-modulated free-jet absorption millimeter-wave (FJ-AMMW) spectrometer in the 59.6-74.5 GHz frequency range.

Conformational Space of 3-Chloropropionic Acid in Gas Phase Explored by Rotational Spectroscopy.

The conformational space of 3-chloropropionic acid has been studied under the isolated conditions of a supersonic expansion using Stark-modulated free-jet absorption millimeter-wave and centimeter-wave chirped-pulse Fourier transform microwave spectroscopy techniques. The rotational spectra originating from the three most stable conformers including Cl and Cl isotopologues were observed in both experiments using helium expansion while a partial conformational relaxation involving skeletal rearrangements takes place in an argon expansion. The rotational parameters, geometries, and energy order were determined from the experiment, allowing a comparison with quantum chemical predictions.

Production of ectoine by Vreelandella boliviensis using non-aseptic repeated-batch and continuous cultivations in an air-lift bioreactor.

Ectoine, an osmolyte produced by various microorganisms, has numerous commercial applications. Vreelandella boliviensis (formerly called Halomonas boliviensis) generates high ectoine concentrations, i.e.

Insights into the electronic structure of non-steroidal anti-inflammatory drugs: soft X-ray study of fenoprofen, ketoprofen and methyl salicylate in the gas phase.

The valence and core electronic structure of three non-steroidal anti-inflammatory drugs (methyl salicylate, fenoprofen and ketoprofen) have been studied by photoelectron and soft X-ray absorption spectroscopy, supported by theoretical calculations of the molecular and electronic structure. The conformational landscape has been explored for sixteen low-energy conformers of fenoprofen and ketoprofen, and the energies of both compounds fall into two groups with steric similarities, separated by about 3 kJ mol. Valence band photoelectron spectra agree with previous results, and the spectra have been calculated using two approaches.