title: Gas-phase binding energies for non-covalent Aβ-40 peptide/small molecule complexes from CID mass spectrometry and RRKM theory.
abstract: The gas-phase binding of small molecules to the Amyloid β-40 peptide generated by electrospray ionization has been explored with collision-induced dissociation mass spectrometry and kinetic rate theory. This study discusses a simple procedure used to theoretically model the experimental breakdown diagrams for the Aβ-40 peptide complexed with a series of aminosulfonate small molecules, namely homotaurine, 3-cyclohexylamino-2-hydroxy-1-propanesulfonic acid (CAPSO), 3-(1,3,4,9-tetrahydro-2H-β-carbolin-2-yl)propane-1-sulfonic acid, 3-(1,3,4,9-tetrahydro-2H-β-carbolin-2-yl)butane-1-sulfonic acid, and 3-(cyclohexylamino)propane-1-sulfonic acid. An alternative procedure employing an extrapolation procedure for k(E) is also discussed.
authors.affiliation: Chemistry Department, University of Ottawa, 10 Marie Curie, Ottawa, ON, Canada K1N 6N5. pmmayer@uottawa.ca
authors.forename: Paul M
authors.initials: PM
authors.lastname: Mayer
authors.forename: Eric
authors.initials: E
authors.lastname: Martineau
mesh_terms: D017738:Alkanesulfonic Acids / Q000737:chemistry; D016229:Amyloid beta-Peptides / Q000737:chemistry*; D003514:Cyclohexylamines / Q000737:chemistry; D005740:Gases / Q000737:chemistry*; D007700:Kinetics; D013058:Mass Spectrometry; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D010446:Peptide Fragments / Q000737:chemistry*; D011485:Protein Binding; D013451:Sulfonic Acids / Q000737:chemistry; D013654:Taurine / Q000031:analogs & derivatives / Q000737:chemistry; D013816:Thermodynamics
chemical_list: C114982:3-cyclohexylamine-1-propane sulfonic acid; D017738:Alkanesulfonic Acids; D016229:Amyloid beta-Peptides; D003514:Cyclohexylamines; D005740:Gases; D010446:Peptide Fragments; D013451:Sulfonic Acids; C078592:amyloid beta-protein (1-40); D013654:Taurine; C001355:tramiprosate; C103649:3-(cyclohexylamino)-2-hydroxy-1-propanesulfonic acid