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          Institute: MPI für Dynamik und Selbstorganisation     Collection: Dynamik komplexer Fluide     Display Documents



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ID: 340726.0, MPI für Dynamik und Selbstorganisation / Dynamik komplexer Fluide
pH-Induced Protonation of Lysine in Aqueous Solution Causes Chemical Shifts in X-ray Photoelectron Spectroscopy
Authors:Nolting, Dirk; Aziz, Emad F.; Ottosson, Niklas; Faubel, Manfred; Hertel, Ingolf V.; Winter, Bernd
Language:English
Date of Publication (YYYY-MM-DD):2007-10-20
Title of Journal:Journal of the American Chemical Society
Volume:139
Start Page:14068
End Page:14073
Review Status:Peer-review
Audience:Experts Only
Abstract / Description:We demonstrate the applicability of X-ray photoelectron spectroscopy to obtain charge- and site-specific electronic structural information of biomolecules in aqueous solution. Changing the pH of an aqueous solution of lysine from basic to acidic results in nitrogen 1s and carbon 1s chemical shifts to higher binding energies. These shifts are associated with the sequential protonation of the two amino groups, which affects both charge state and hydrogen bonding to the surrounding water molecules. The N1s chemical shift is 2.2 eV, and for carbon atoms directly neighboring a nitrogen the shift for C1s is ~0.4 eV. The experimental binding energies agree reasonably with our calculated energies of lysine(aq) for different pH values.
External Publication Status:published
Document Type:Article
Communicated by:Folkert Müller-Hoissen
Affiliations:MPI für Dynamik und Selbstorganisation/Dynamik komplexer Fluide
External Affiliations:Max-Born-Institut für Nichtlineare Optik und Kurzzeitspektroskopie, Max-Born-Strasse 2a, D-12489 Berlin, Germany
BESSY GmbH, Albert-Einstein-Strasse 1, D-12489 Berlin, Germany
Institut für Experimentalphysik, Freie Universität Berlin, Arnimallee 14, D-14195 Berlin, Germany
Identifiers:DOI:10.1021/ja072971l
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