Ion Mobility Analysis of Molecular Dynamics

  • Thomas Wyttenbach
    Department of Chemistry and Biochemistry, University of California, Santa Barbara, California 93106;
  • Nicholas A. Pierson
    Department of Chemistry, Indiana University, Bloomington, Indiana 47405;
  • David E. Clemmer
    Department of Chemistry, Indiana University, Bloomington, Indiana 47405;
  • Michael T. Bowers
    Department of Chemistry and Biochemistry, University of California, Santa Barbara, California 93106;

説明

<jats:p> The combination of mass spectrometry and ion mobility spectrometry (IMS) employing a temperature-variable drift cell or a drift tube divided into sections to make IMS-IMS experiments possible allows information to be obtained about the molecular dynamics of polyatomic ions in the absence of a solvent. The experiments allow the investigation of structural changes of both activated and native ion populations on a timescale of 1–100 ms. Five different systems representing small and large, polar and nonpolar molecules, as well as noncovalent assemblies, are discussed in detail: a dinucleotide, a sodiated polyethylene glycol chain, the peptide bradykinin, the protein ubiquitin, and two types of peptide oligomers. Barriers to conformational interconversion can be obtained in favorable cases. In other cases, solution-like native structures can be observed, but care must be taken in the experimental protocols. The power of theoretical modeling is demonstrated. </jats:p>

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