Modelling neurotransmitter functions: a laser spectroscopic study of (1S,2S)-N-methyl pseudoephedrine and its complexes with achiral and chiral molecules

Org Biomol Chem. 2006 May 21;4(10):2012-8. doi: 10.1039/b602510b. Epub 2006 Apr 11.

Abstract

Wavelength and mass resolved resonance-enhanced two photon ionization (R2PI) excitation spectra of (1S,2S)-N-methyl pseudoephedrine (MPE) and its complexes with several achiral and chiral solvent molecules, including water (W), methyl (R)-lactate (L(R)), methyl (S)-lactate (L(S)), (R)-2-butanol (B(R)), and (S)-2-butanol (B(S)), have been recorded after a supersonic molecular beam expansion and examined in the light of ab initio calculations. The spectral patterns of the selected complexes have been interpreted in terms of the specific hydrogen-bond interactions operating in the diastereomeric complexes, whose nature in turn depends on the structure and the configuration of the solvent molecule. The obtained results confirm the view that a representative neurotransmitter molecule, like MPE, "communicates" with the enantiomers of a chiral substrate through different, specific interactions. These findings can be regarded as a further contribution to modelling neurotransmitter functions in biological systems.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Butanols
  • Ephedrine / chemistry*
  • Lactates
  • Lasers
  • Models, Molecular*
  • Neurotransmitter Agents / chemistry*
  • Spectrum Analysis
  • Stereoisomerism
  • Water

Substances

  • Butanols
  • Lactates
  • Neurotransmitter Agents
  • Water
  • Ephedrine