Ole Tiemann

Characterization of the molecular composition of shale oil distillates and their sulfonated products by ultrahigh resolution mass spectrometry.

Among other applications, shale oil is used as a raw material for pharmaceutical products. The pharmaceutical effect of shale oil is attributed to its usually high sulfur content. To increase the sulfur content, shale oil is sulfonated with sulfuric acid and then neutralized with ammonia or sodium hydroxide. 
Both the untreated and treated shale oil exhibit high molecular complexity, although detailed characterization has not been possible to date. 
Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) represents a modern analytical method characterized by high mass resolution. The combination with atmospheric pressure ionization methods such as atmospheric pressure photoionization (APPI) and electrospray ionization (ESI) thus represent a suitable method for the qualitative analysis of shale oils.


Key Publications

  • Rüger, C. P.; Tiemann, O. et al. Review on Evolved Gas Analysis Mass Spectrometry with Soft Photoionization for the Chemical Description of Petroleum, Petroleum-Derived Materials, and Alternative Feedstocks. Energy Fuels 2021, 35 (22), 18308–18332. DOI: 10.1021/acs.energyfuels.1c02720.
  • Neumann, A.; Tiemann, O. et al. Detailed Comparison of Xenon APPI (9.6/8.4 eV), Krypton APPI (10.6/10.0 eV), APCI, and APLI (266 nm) for Gas Chromatography High Resolution Mass Spectrometry of Standards and Complex Mixtures. J. Am. Soc. Mass Spectrom. 2023, 34 (8), 1632–1646. DOI: 10.1021/jasms.3c00085.
  • Schwalb, L.; Tiemann, O. et al. Applying a risk assessment guided evaluation for verifying comprehensive two-dimensional gas chromatography to analyse complex pharmaceuticals. Anal Bioanal Chem 2023. DOI: 10.1007/s00216-023-05093-9.
  • Schwalb, L.; Tiemann, O. et al. Analysis of complex drugs by comprehensive two-dimensional gas chromatography and high-resolution mass spectrometry: detailed chemical description of the active pharmaceutical ingredient sodium bituminosulfonate and its process intermediates. Anal Bioanal Chem 2023, 415 (13), 2471–2481. DOI: 10.1007/s00216-022-04393-w.

University of Rostock
Institute of Chemistry
Division of Analytical and Technical Chemistry
Department Life Light & Matter
Ole Tiemann
Albert-Einstein-Straße 25
18059 Rostock (Germany)

Tel.: +49 (0) 381 498 - 8993