pH-induced protonation of lysine in aqueous solution causes chemical shifts in X-ray photoelectron spectroscopy

Dirk Nolting, Emad F. Aziz, Niklas Ottosson, Manfred Faubel, Ingolf V. Hertel, Bernd Winter

Research output: Contribution to journalArticlepeer-review

82 Scopus citations

Abstract

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.

Original languageEnglish
Pages (from-to)14068-14073
Number of pages6
JournalJournal of the American Chemical Society
Volume129
Issue number45
DOIs
StatePublished - 14 Nov 2007
Externally publishedYes

Fingerprint

Dive into the research topics of 'pH-induced protonation of lysine in aqueous solution causes chemical shifts in X-ray photoelectron spectroscopy'. Together they form a unique fingerprint.

Cite this