Institute of Physical Chemistry, Polish Academy of Sciences, 01-224, Warsaw, Poland.
J Am Soc Mass Spectrom. 2016 Aug;27(8):1383-92. doi: 10.1007/s13361-016-1411-3. Epub 2016 May 13.
Hydration reactions of deprotonated nucleobases (uracil, thymine, 5-fluorouracil,2-thiouracil, cytosine, adenine, and hypoxanthine) produced by electrospray have been experimentally studied in the gas phase at 10 mbar using a pulsed ion-beam high-pressure mass spectrometer. The thermochemical data, ΔH (o) , ΔS (o) , and ΔG (o) , for the monohydrated systems were determined. The hydration enthalpies were found to be similar for all studied systems and varied between 39.4 and 44.8 kJ/mol. A linear correlation was found between water binding energies in the hydrated complexes and the corresponding acidities of the most acidic site of nucleobases. The structural and energetic aspects of the precursors for the hydrated complexes are discussed in conjunction with available literature data. Graphical Abstract ᅟ.
用电喷雾在 10 mbar 气相中使用脉冲离子束高压质谱仪实验研究了去质子化碱基（尿嘧啶、胸腺嘧啶、5-氟尿嘧啶、2-硫代尿嘧啶、胞嘧啶、腺嘌呤和次黄嘌呤）的水合反应。测定了单水合体系的热化学数据ΔH(o)、ΔS(o)和ΔG(o)。发现所有研究体系的水合焓相似，在 39.4 到 44.8 kJ/mol 之间变化。在水合配合物中发现水结合能与碱基最酸性部位的相应酸度之间存在线性相关。结合可用文献数据讨论了水合配合物前体的结构和能量方面。
