Vaden Timothy D, de Boer Tjalling S J A, MacLeod Neil A, Marzluff Elaine M, Simons John P, Snoek Lavina C
Chemistry Department, University of Oxford, Physical and Theoretical Chemistry Laboratory, South Parks Road, Oxford, UK.
Phys Chem Chem Phys. 2007 May 28;9(20):2549-55. doi: 10.1039/b700805h. Epub 2007 Mar 27.
A novel photochemical technique combined with mass spectrometry and resonant infrared multiphoton dissociation spectroscopy (R-IRMPD) has been used to record infrared vibrational spectra of the free protonated noradrenaline analogue, 2-amino-1-phenylethanol (APE-H(+)), the amino acid, lysine (Lys-H(+)), and the dipeptide, alanyl alanine (Ala-Ala-H(+)) in the gas phase. Coupling their spectra, obtained in the OH, NH and CH stretch regions, with ab initio calculations has allowed assignment of their preferred protonation sites and conformations. This simple technique will have wide applicability in future investigations of protonated biomolecular structure and conformation.
一种结合了质谱和共振红外多光子解离光谱（R-IRMPD）的新型光化学技术已被用于记录气相中游离质子化去甲肾上腺素类似物2-氨基-1-苯乙醇（APE-H(+)）、氨基酸赖氨酸（Lys-H(+)）和二肽丙氨酰丙氨酸（Ala-Ala-H(+)）的红外振动光谱。将在OH、NH和CH伸缩区域获得的它们的光谱与从头算计算相结合，已能够确定它们优先的质子化位点和构象。这种简单的技术在未来对质子化生物分子结构和构象的研究中将具有广泛的适用性。
