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Ion Activation and Dissociation

This work investigates the various mechanisms of ion activation and dissociation, with insights into how charge influences the structures of protein complexes through surface-induced dissociation and ion mobility. It also covers advanced computational methods for analyzing doubly protonated tryptic peptides and their fragments, as well as the behavior of large metal and metal-oxide clusters. Additionally, radical recombination labeling and the spectroscopy of multiply charged anions are examined to enhance our understanding of energetic, structural, and kinetic information in ion activation processes.

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Ion Activation and Dissociation

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  1. Ion Activation and Dissociation Vicki Wysocki (University of Arizona)Probing Influence of Charge on Structures of Protein Complexes with SurfaceInduced Dissociation and Ion MobilityBelaPaizs (German Cancer Research Center, Heidelberg)Efficient Computation of Structures and Reactions of Doubly ProtonatedTryptic Peptides and Their FragmentsJulia Laskin (Pacific Northwest National Laboratory)Large Metal and Metal-Oxide Clusters in the Gas Phase and on SurfacesRyan Julian (University of California, Riverside)Radical Recombination Labeling: Click Chemistry in the Gas PhaseOliver Hampe (Karlsruhe Institute of Technology)Multiply Charged Anions: Infrared Spectroscopy and PhotoelectronSpectroscopy on Adenonsine 5'-Di and TriphosphateAnions

  2. What are the means of ion activation?Collisions with gases: Collision-induced dissociation (CID) ReactionsCollisions with electrons: Electron capture dissociation (ECD) Electron ionizationCollisions with other ions: Electron transfer dissociation (ETD)Collisions with surfaces: Surface induced dissociation (SID)Collisions with photons:Photoionization – PEPICO Infrared –IRMPD, tagging, BIRD UV-visible Ion Activation and Dissociation

  3. What factors are influential? Structure (conformation) of initial ion Extent and distribution of energy deposited Timescale of experiment (lifetimes) Mechanism of excitation (rovibronicvs electronic) What do we learn?Structure Energetics Kinetics Reactivity Ion Activation and Dissociation

  4. Structural and Energetic Information Means of generating ions changes structure More, Ray, Armentrout, J. Phys. Chem. A1997, 101, 7007. Armentrout, Austin, Rodgers, Int. J. Mass Spectrom.2012, 330-332, 16. Thermodynamic Kinetic trapping

  5. Structural and Energetic Information Molecular Recognition of Amino Acids by 18-Crown-6 Binding energy (Gly)H+-18C6 (N-terminus) > (Lys)H+-18C6 > (His)H+-18C6 > (Arg)H+-18C6 Chen, Rodgers, J. Am. Chem. Soc. 2012, 134, 5863

  6. Energetic Information - Electrochemistry Electron capture dissociation of M3+(NH3)6(H2O)55 Also UV photodissociation of M2+(H2O)n Absolute gas phase Relative solution phase Donald, Williams, Pure Appl. Chem. 2011, 83, 2129

  7. Energetic Information – Biochemistry • Glycosidic bond cleavage of nucleosides and deoxynucleosides Protonated deoxyadenosine [Ado+H+] N3, syn, C2'-endo MAD ± SD • Energy required for glycosidic bond cleavage: • DNA < RNA DNA 4.1 ± 4.3 RNA 6.5 ± 8.6 Wu and Rodgers, work in progress

  8. Ion Activation and Dissociation Vicki Wysocki (University of Arizona)Probing Influence of Charge on Structures of Protein Complexes with SurfaceInduced Dissociation and Ion MobilityBelaPaizs (German Cancer Research Center, Heidelberg)Efficient Computation of Structures and Reactions of Doubly ProtonatedTryptic Peptides and Their FragmentsJulia Laskin (Pacific Northwest National Laboratory)Large Metal and Metal-Oxide Clusters in the Gas Phase and on SurfacesRyan Julian (University of California, Riverside)Radical Recombination Labeling: Click Chemistry in the Gas PhaseOliver Hampe (Karlsruhe Institute of Technology)Multiply Charged Anions: Infrared Spectroscopy and PhotoelectronSpectroscopy on Adenonsine 5'-Di and TriphosphateAnions

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