title: Communication: Near edge x-ray absorption fine structure spectroscopy of aqueous adenosine triphosphate at the carbon and nitrogen K-edges.
abstract: Near edge x-ray absorption fine structure (NEXAFS) spectroscopy at the nitrogen and carbon K-edges was used to study the hydration of adenosine triphosphate in liquid microjets. The total electron yield spectra were recorded as a function of concentration, pH, and the presence of sodium, magnesium, and copper ions (Na(+)/Mg(2+)/Cu(2+)). Significant spectral changes were observed upon protonation of the adenine ring, but not under conditions that promote π-stacking, such as high concentration or presence of Mg(2+), indicating that NEXAFS is insensitive to the phenomenon. Intramolecular inner-sphere association of Cu(2+) did create observable broadening of the nitrogen spectrum, whereas outer-sphere association with Mg(2+) did not.
authors.affiliation: Department of Chemistry, University of California, Berkeley, California 94720, USA.
authors.forename: Daniel N
authors.initials: DN
authors.lastname: Kelly
authors.forename: Craig P
authors.initials: CP
authors.lastname: Schwartz
authors.forename: Janel S
authors.initials: JS
authors.lastname: Uejio
authors.forename: Andrew M
authors.initials: AM
authors.lastname: Duffin
authors.forename: Alice H
authors.initials: AH
authors.lastname: England
authors.forename: Richard J
authors.initials: RJ
authors.lastname: Saykally
mesh_terms: D000255:Adenosine Triphosphate / Q000737:chemistry*; D002244:Carbon / Q000737:chemistry*; D003300:Copper / Q000737:chemistry; D006863:Hydrogen-Ion Concentration; D008274:Magnesium / Q000737:chemistry; D015394:Molecular Structure; D009584:Nitrogen / Q000737:chemistry*; D012964:Sodium / Q000737:chemistry; D014867:Water / Q000737:chemistry; D056928:X-Ray Absorption Spectroscopy
chemical_list: D014867:Water; D002244:Carbon; D003300:Copper; D000255:Adenosine Triphosphate; D012964:Sodium; D008274:Magnesium; D009584:Nitrogen