Zundel-Type H-Bonding in Biomolecular ions
Allbwn ymchwil: Cyfraniad at gyfnodolyn › Erthygl › adolygiad gan gymheiriaid
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Yn: Journal of The American Society for Mass Spectrometry, Cyfrol 25, Rhif 9, 08.07.2014, t. 1511-1514.
Allbwn ymchwil: Cyfraniad at gyfnodolyn › Erthygl › adolygiad gan gymheiriaid
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TY - JOUR
T1 - Zundel-Type H-Bonding in Biomolecular ions
AU - Hernandez, O.
AU - Pulay, P.
AU - Maitre, P.
AU - Paizs, B.
PY - 2014/7/8
Y1 - 2014/7/8
N2 - Using quantum chemical calculations and infrared multiphoton dissociation (IRMPD) spectroscopy in the fingerprint and X-H stretching regions, we demonstrate here that the all-Ala b 6 fragment ion features a macrocyclic structure with C2 symmetry. For this structure, the ionizing proton is equally shared by the Ala(1) and Ala(4) amide oxygens in a Zundel-type symmetric (X…H+…X) H-bond.
AB - Using quantum chemical calculations and infrared multiphoton dissociation (IRMPD) spectroscopy in the fingerprint and X-H stretching regions, we demonstrate here that the all-Ala b 6 fragment ion features a macrocyclic structure with C2 symmetry. For this structure, the ionizing proton is equally shared by the Ala(1) and Ala(4) amide oxygens in a Zundel-type symmetric (X…H+…X) H-bond.
U2 - 10.1007/s13361-014-0950-8
DO - 10.1007/s13361-014-0950-8
M3 - Article
VL - 25
SP - 1511
EP - 1514
JO - Journal of The American Society for Mass Spectrometry
JF - Journal of The American Society for Mass Spectrometry
SN - 1044-0305
IS - 9
ER -