Abstract
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, ΔHo, ΔSo, and ΔGo, 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 ᅟ
Highlights
Hydrogen bonding plays a central role in biological structures and function, including protein and nucleic acid folding, molecular recognition, signal transduction, and enzymatic catalysis [1]
When ionizing radiation interacts with living organisms, the low-energy electrons (
We present the experimental investigations of the interactions of one molecule of water with deprotonated uracil [U-H], thymine [T-H], 5-fluorouracil [5FU-H], 2thiouracil [2SU-H], cytosine [C-H], adenine [A-H], and hypoxanthine [H-H]
Summary
Hydrogen bonding plays a central role in biological structures and function, including protein and nucleic acid folding, molecular recognition, signal transduction, and enzymatic catalysis [1]. Schemetic structures and atom labeling of neutral nucleobases are shown in Scheme 1
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