Department of Chemistry, University of Washington, Seattle, WA, 98195-1700, USA.
Metagenics, Inc., Gig Harbor, WA, 98332, USA.
Angew Chem Int Ed Engl. 2020 May 11;59(20):7772-7777. doi: 10.1002/anie.201916493. Epub 2020 Mar 16.
Adenosine radicals tagged with a fixed-charge group were generated in the gas phase and structurally characterized by tandem mass spectrometry, deuterium labeling, and UV/Vis action spectroscopy. Experimental results in combination with Born-Oppenheimer molecular dynamics, ab initio, and excited-state calculations led to unambiguous assignment of adenosine radicals as N-7 hydrogen atom adducts. The charge-tagged radicals were found to be electronically equivalent to natural DNA nucleoside radicals.
腺嘌呤自由基与固定电荷基团在气相中生成，并通过串联质谱、氘标记和紫外/可见作用光谱进行结构表征。实验结果结合玻恩-奥本海默分子动力学、从头算和激发态计算，明确了腺嘌呤自由基为 N-7 氢原子加合物。带电荷标记的自由基在电子上与天然 DNA 核苷自由基等效。
