Water mediated electron attachment to nucleobases: Surface-bound vs bulk solvated electrons
نویسندگان
چکیده
منابع مشابه
Irreversible electron attachment--a key to DNA damage by solvated electrons in aqueous solution.
The TYT and TXT trimeric oligonucleotides, where X stands for a native nucleobase, T (thymine), C (cytosine), A (adenine), or G (guanine), and Y indicates a brominated analogue of the former, were irradiated with ionizing radiation generated by a (60)Co source in aqueous solutions containing Tris as a hydroxyl radical scavenger. In the past, these oligomers were bombarded with low energy electr...
متن کاملDispersion Stabilization of Solvated Electrons and Dipole-Bound Anions
It has long been assumed that stability of “solvated electrons” and dipole-bound anions results primarily from the static Coulomb interaction of an excess electron with charge distribution of the neutral molecular host. Our results indicate, however, that the dispersion interaction between the loosely bound electron and the neutral molecular host is as important as the static Coulomb stabilizat...
متن کاملQuantifying solvated electrons' delocalization.
Delocalized, solvated electrons are a topic of much recent interest. We apply the electron delocalization range EDR(r;u) (J. Chem. Phys., 2014, 141, 144104) to quantify the extent to which a solvated electron at point r in a calculated wavefunction delocalizes over distance u. Calculations on electrons in one-dimensional model cavities illustrate fundamental properties of the EDR. Mean-field ca...
متن کاملWater induced weakly bound electrons in DNA.
We have studied the effect of humidity on the electronic properties of DNA base pairs. We found that the hydrogen links of the nucleobases with water molecules lead to a shift of the pi electron density from carbon atoms to nitrogen atoms and can change the symmetry of the wave function for some nucleobases. As a result, the orbital energies are shifted which leads to a decrease in the potentia...
متن کاملProton transfer in nucleobases is mediated by water.
Water plays a central role in chemistry and biology by mediating the interactions between molecules, altering energy levels of solvated species, modifying potential energy profiles along reaction coordinates, and facilitating efficient proton transport through ion channels and interfaces. This study investigates proton transfer in a model system comprising dry and microhydrated clusters of nucl...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2020
ISSN: 0021-9606,1089-7690
DOI: 10.1063/5.0010509