生物分子离子中的尊德耳型氢键
Zundel-type H-bonding in biomolecular ions.
作者信息
Hernandez Oscar, Pulay Peter, Maître Philippe, Paizs Béla
机构信息
Laboratoire de Chimie Physique, Université Paris Sud, UMR8000 CNRS, Faculté des Sciences, Bât. 350, 91405, Orsay Cedex, France.
出版信息
J Am Soc Mass Spectrom. 2014 Sep;25(9):1511-4. doi: 10.1007/s13361-014-0950-8. Epub 2014 Jul 8.
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 (b6) fragment ion features a macrocyclic structure with C(2) 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.
利用指纹区和X-H伸缩振动区的量子化学计算和红外多光子解离（IRMPD）光谱，我们在此证明全丙氨酸（b6）碎片离子具有C(2)对称性的大环结构。对于这种结构，电离质子在Zundel型对称（X…H(+)…X）氢键中由丙氨酸(1)和丙氨酸(4)的酰胺氧原子均等共享。
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