title: Charge, Color, and Conformation: Spectroscopy on Isomer-Selected Peptide Ions.
abstract: Monitoring the chromism induced by intramolecular hydrogen and charge transfers within proteins as well as the isomerization of both protein and cofactor is essential not only to understand photoactive signaling pathways but also to design targeted opto-switchable proteins. We used a dual-ion mobility drift tube coupled to a tunable picosecond laser to explore the optical and structural properties of a peptide chain bound to a chromophore-a prototype system allowing for a proton transfer coupled to conformational change. With the support of molecular dynamics and DFT calculations, we show how proton transfer between the peptide and its cofactor can dramatically modify the optical properties of the system and demonstrate that these changes can be triggered by collisional activation in the gas phase.
authors.affiliation: Institut Lumière Matière and ‡Institut des Sciences Analytiques, Université Lyon 1-CNRS, Université de Lyon , 69622 Villeurbanne Cedex, France.
authors.forename: Chang Min
authors.initials: CM
authors.lastname: Choi
authors.affiliation: Institut Lumière Matière and ‡Institut des Sciences Analytiques, Université Lyon 1-CNRS, Université de Lyon , 69622 Villeurbanne Cedex, France.
authors.forename: Anne-Laure
authors.initials: AL
authors.lastname: Simon
authors.affiliation: Institut Lumière Matière and ‡Institut des Sciences Analytiques, Université Lyon 1-CNRS, Université de Lyon , 69622 Villeurbanne Cedex, France.
authors.forename: Fabien
authors.initials: F
authors.lastname: Chirot
authors.affiliation: Institut Lumière Matière and ‡Institut des Sciences Analytiques, Université Lyon 1-CNRS, Université de Lyon , 69622 Villeurbanne Cedex, France.
authors.forename: Alexander
authors.initials: A
authors.lastname: Kulesza
authors.affiliation: Institut Lumière Matière and ‡Institut des Sciences Analytiques, Université Lyon 1-CNRS, Université de Lyon , 69622 Villeurbanne Cedex, France.
authors.forename: Geoffrey
authors.initials: G
authors.lastname: Knight
authors.affiliation: Institut Lumière Matière and ‡Institut des Sciences Analytiques, Université Lyon 1-CNRS, Université de Lyon , 69622 Villeurbanne Cedex, France.
authors.forename: Steven
authors.initials: S
authors.lastname: Daly
authors.affiliation: Institut Lumière Matière and ‡Institut des Sciences Analytiques, Université Lyon 1-CNRS, Université de Lyon , 69622 Villeurbanne Cedex, France.
authors.forename: Luke
authors.initials: L
authors.lastname: MacAleese
authors.affiliation: Institut Lumière Matière and ‡Institut des Sciences Analytiques, Université Lyon 1-CNRS, Université de Lyon , 69622 Villeurbanne Cedex, France.
authors.forename: Rodolphe
authors.initials: R
authors.lastname: Antoine
authors.affiliation: Institut Lumière Matière and ‡Institut des Sciences Analytiques, Université Lyon 1-CNRS, Université de Lyon , 69622 Villeurbanne Cedex, France.
authors.forename: Philippe
authors.initials: P
authors.lastname: Dugourd
mesh_terms: D003116:Color; D007536:Isomerism; D010455:Peptides / Q000737:chemistry*; D011487:Protein Conformation
chemical_list: D010455:Peptides