Abstracts - faqs.org

Abstracts

Chemicals, plastics and rubber industries

Search abstracts:
Abstracts » Chemicals, plastics and rubber industries

Radiation products of thymine, 1-methylthymine and uracil investigated by density functional theory

Article Abstract:

Research was conducted to examine the relative energies, geometries and hyperfine coupling constants of dehydrogenated, hydrogenated and hydroxylated radiation products as well as the anion and the cation of thymine, namely, 1-methylthymine and uracil, using density functional theory. Due to the energetics and the theoretical and experimental hyperfine coupling constants, it is suggested that when thymine and 1-methylthymine are irradiated, a hydrogen is lost from the C5-methyl group.

Author: Eriksson, Leif A., Boyd, Russell J., Wetmore, Stacey D.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1998
DNA damage, Radiation chemistry

User Contributions:

Comment about this article or add new information about this topic:

CAPTCHA


Comparison of experimental and calculated hyperfine coupling constants. Which radicals are formed in irradiated guanine?

Article Abstract:

A study was conducted to examine the structures, spin density distributions and hyperfine coupling constants in guanine radiation products using density function theory. Several types of N7-protonated guanine radicals were analyzed. Results indicated that guanine anion supports major geometrical distortions during formation. Findings also showed that density functional theory generated accurate hyperfine coupling constants at minimized computational cost.

Author: Eriksson, Leif A., Boyd, Russell J., Wetmore, Stacey D.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1998
Guanine, Anions

User Contributions:

Comment about this article or add new information about this topic:

CAPTCHA



Subjects list: Research, Usage, Density functionals, Density functional theory
Similar abstracts:
  • Abstracts: Formation of Schottky defects at the surface of MgO, TiO2, and SnO2: A comparitive density functional theoretical study
  • Abstracts: Formation of Schottky defects at the surface of MgO, TiO2, and SnO2: A comparitive density functional theoretical study. part 2
  • Abstracts: Systematic study of the tautomerism of uracil induced by proton transfer. Exploration of water stabilization and mutagenicity
  • Abstracts: Interaction of the acid soap of triethanolamine stearate and stearic acid with water. Monolayer characteristics of mixed octadecylamine and steric acid at the air/water interface
  • Abstracts: Structure of the liquid-vapor interface of water-methanol mixtures as seen from Monte Carlo simulations. Structure of the acetone liquid-vapor interface as seen from Monte Carlo simulations
This website is not affiliated with document authors or copyright owners. This page is provided for informational purposes only. Unintentional errors are possible.
Some parts © 2023 Advameg, Inc.