Studie non-kovalenter Bindungsmotive in der Gasphase mit Hilfe massenspektrometrischer Methoden (MS, IRMPD-MS), Ionen-Mobilitäts-MS) und der Dichtefunktionaltheorie

• Applicants: Professor Dr. Carsten Schmuck (†); Professor Dr. Mathias Schäfer
• Subject Area: Organic Molecular Chemistry - Synthesis and Characterisation
• Term: from 2006 to 2011
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 17997830

• Final Report Year: 2011

Final Report Abstract

No abstract available

Publications

• Examination of gas-phase Ion Structures of Cationized Guanidiniocarbonyl pyrroles by Infrared multi Photon Dissociation Spectroscopy (IRMPD) and Computational Modeling, 55th ASMS Conference on Mass Spectrometry, 3.6.–7.6.2007, Indianapolis IN, USA 2007
  Miriam Drayß, Mathias Schäfer, Carsten Schmuck, Dirk Blunk, Nick C. Polfer, Jos Oomens, Sebastian Schlund, Bernd Engels
  
• Examination of the gas-phase Ion Structure of Cationized Guanidiniocarbonyl Pyrrole Derivates (Na+) by Infrared Multi Photon Dissociation Spectroscopy (IRMPD) and Computational Modelling, 40. Jahrestagung der Deutschen Gesellschaft für Massenspektrometrie, DGMS, Universität Bremen, 11.-14.03.2007
  Miriam Drayß, Mathias Schäfer, Carsten Schmuck, Dirk Blunk, Nick C. Polver, Jos Oomens
  
• Examination of the Gas-Phase Ion Structure of Cationized Guanidiniocarbonyl Pyrrole Derivates (Na+) by Infrared Multi Photon Dissociation Spectroscopy (IRMPD), Computational Modelling and Ion Mobility Spectroscopy, 41. Jahrestagung der Deutschen Gesellschaft für Massenspektrometrie, DGMS, Justus-Liebig-Universität Gießen, 2.-5. März 2008
  Miriam Drayß, Mathias Schäfer, Carsten Schmuck, Dirk Blunk, Nick C. Polfer, Jos Oomens, Michael T. Bowers, Thomas Wyttenbach, Bing Gao
  
• Infrared Multiple Photon Dissociation Spectroscopy of Potassiated Proline, Journal of Physical Chemistry A 112 (2008) 11972-11974
  M. Drayß, D. Blunk, J. Oomens, M. Schäfer
  
• Structures of guanidiniocarbonylpyrrole-derivative ions in the gas phase examined by MS/MS, FELIX induced photo-dissociation spectroscopy, Ion Mobility-MS and computational modelling, 13th ISMAS Symposium cum Workshop on Mass Spectrometry, BARC Training School, Anushakti Nagar, Mumbai, 27.1.-31.1.2008
  Mathias Schäfer, Miriam Drayß, Dirk Blunk, Carsten Schmuck, Jos Oomens, Nick Polfer, Bing Gao, Thomas Wyttenbach, Michael Bowers
  
• Structures of guanidiniocarbonylpyrrole-derivative ions in the gas phase examined by MS/MS, FELIX induced photo-dissociation spectroscopy, Ion Mobility-MS and computational modelling, Isolated Biomolecules and Biomolecular Interactions, IBBI08, Valladolid, Spain, 13-18.4.2008
  Mathias Schäfer, Miriam Drayß, Dirk Blunk, Carsten Schmuck, Jos Oomens, Nick Polfer, Bing Gao, Thomas Wyttenbach, Michael Bowers
  
• Gas-Phase Structures of Solution-Phase Zwitterions: Charge Solvation or Salt Bridge? International Journal of Mass Spectrometry 281 (2009) 97-100
  M.K. Drayß, D. Blunk, J. Oomens, N. Polfer, C. Schmuck, B. Gao, T. Wyttenbach, M.T. Bowers, M. Schäfer
  
• Infrared Multiphoton Dissociation Spectroscopy of Cationized Proline and N-Methyl Alanine: Effects of Alkali-Metal Cation Size on Gas-Phase Conformation, 25th Asilomar Conference on Mass Spectrometry, October 16.-20. 2009, Pacific Grove, CA, USA
  Mathias Schäfer, Miriam K. Drayß, Dirk Blunk, Jos Oomens, Peter Armentrout
  
• Kinetic Determination of Potassium Affinities by IRMPD: Elucidation of Precursor Ion Structures, Journal of Physical Chemistry A 113 (2009) 7779-7783
  M. Schäfer, M.K. Drayß, D. Blunk, J.M. Purcell, C.L. Hendrickson, A.G. Marshall, A. Mookherjee, P.B. Armentrout
  
• Potassium affinity of gas-phase amino acids determined by IRMPD (CO2- and Free Electron Laser) and molecular modelling, 57th ASMS Conference on Mass Spectrometry, 31.5.– 4.6.2009, Philadelphia PA, USA 2009
  Miriam Drayß, Dirk Blunk, Frank Dreiocker, Jeremiah M. Purcell, Christopher L. Hendrickson, Alan G. Marshall, Jos Oomens, Abhingya Mookherjee, Peter Armentrout, Mathias Schäfer
  
• Systematic study of the structures of potassiated tertiary amino acids: Salt bridge structures dominate, Journal of Physical Chemistry A 113 (2009) 9543-9550
  M.K. Drayß, D. Blunk, J. Oomens, B. Gao, T. Wyttenbach, M.T. Bowers, M. Schäfer
  
• Untersuchung von [M + K]+ Molekülionen tertiärer Aminosäuren in der Gasphase: Molecular Modelling und Infrared Multi Photon Dissociation Spectroscopy (CO2-Laser IRMPD und Free Electron Laser for Infrared Experiments), 42. Jahrestagung der Deutschen Gesellschaft für Massenspektrometrie, DGMS, Universität Konstanz, 8.-11. März 2009
  Miriam Drayß, Dirk Blunk, Frank Dreiocker, Jeremiah M. Purcell, Christopher L. Hendrickson, Alan G. Marshall, Jos Oomens, Peter Armentrout, Abhigya Mookherjee, Mathias Schäfer
  
• Alkali metal cationized aliphatic amino acids: charge-solvation becomes more favorable with increasing ion size, Isolated biomolecules and biomolecular interactions, IBBI 2010 Conference, 12.-17.6.2010, Fritz-Haber- Institut, Berlin
  Mathias Schäfer, Miriam K. Drayß, P.B. Armentrout and Jos Oomens
  
• Infrared Multiphoton Dissociation Spectroscopy of Cationized Proline and N-Methyl Alanine: Effects of Alkali-Metal Cation Size on Gas-Phase Conformation, International Journal of Mass Spectrometry 297 (2010) 18-27
  M.K. Drayß, P.B. Armentrout, J. Oomens, M. Schäfer
  
• Ionenspektroskopie mit IRMPD, Jahrestagung der Deutschen Gesellschaft für Massenspektrometrie DGMS 2010, 7.-10.3.2010, Martin-Luther-Universität Halle-Wittenberg, Halle (Saale)
  Mathias Schäfer