title: Ultrafast proton dynamics in aqueous amino acid solutions studied by resonant inelastic soft X-ray scattering.
abstract: Resonant inelastic soft X-ray scattering (RIXS) has been used to study the electronic structure of glycine and lysine in aqueous solution. Upon variation of the pH value of the solution from acidic to basic, major changes of the nitrogen K edge RIXS data are observed for both amino acids, which are associated with the protonation and deprotonation of the amino groups. The experimental results are compared with simulations based on density functional theory, yielding a detailed understanding of the spectral changes, as well as insights into the ultrafast proton dynamics in the intermediate core-excited/ionized state of the RIXS process.
authors.affiliation: Department of Chemistry, University of Nevada, Las Vegas, Nevada, USA.
authors.forename: M
authors.initials: M
authors.lastname: Blum
authors.forename: M
authors.initials: M
authors.lastname: Odelius
authors.forename: L
authors.initials: L
authors.lastname: Weinhardt
authors.forename: S
authors.initials: S
authors.lastname: Pookpanratana
authors.forename: M
authors.initials: M
authors.lastname: Bär
authors.forename: Y
authors.initials: Y
authors.lastname: Zhang
authors.forename: O
authors.initials: O
authors.lastname: Fuchs
authors.forename: W
authors.initials: W
authors.lastname: Yang
authors.forename: E
authors.initials: E
authors.lastname: Umbach
authors.forename: C
authors.initials: C
authors.lastname: Heske
mesh_terms: D005998:Glycine / Q000737:chemistry*; D006863:Hydrogen-Ion Concentration; D008239:Lysine / Q000737:chemistry*; D011522:Protons; D011789:Quantum Theory; D012542:Scattering, Radiation; D014867:Water / Q000737:chemistry*; D014965:X-Rays
chemical_list: D011522:Protons; D014867:Water; D008239:Lysine; D005998:Glycine