Interplay of electronic, environmental, and vibrational effects in determining the hyperfine coupling constants of organic free radicals
Organic free radicals are ubiquitous in chemical and biological systems. They are involved
in a huge number of fundamental processes going from simple organic reactions1-3 through …
in a huge number of fundamental processes going from simple organic reactions1-3 through …
Electron affinities and ionization potentials of nucleotide bases
SD Wetmore, RJ Boyd, LA Eriksson - Chemical Physics Letters, 2000 - Elsevier
Density-functional theory (B3LYP functional) is used to investigate the ionization potentials
and electron affinities of the DNA and RNA nucleotide bases. For the first time, anions lying …
and electron affinities of the DNA and RNA nucleotide bases. For the first time, anions lying …
How do charges travel through DNA?—an update on a current debate
MW Grinstaff - Angewandte Chemie International Edition, 1999 - Wiley Online Library
The effects of oligonucleotide sequence, base pairing, stacking, and duplex microstructure
as well as donor–acceptor distance, labeling site, and driving force on charge‐transfer …
as well as donor–acceptor distance, labeling site, and driving force on charge‐transfer …
Radiation-induced DNA damage as a function of hydration. II. Base damage from electron-loss centers
SG Swarts, D Becker, M Sevilla… - Radiation …, 1996 - meridian.allenpress.com
The induction of base damage products in γ-irradiated DNA, hydrated between 2.5 and 32.8
moles of water per mole of nucleotide (Γ), was investigated using the gas …
moles of water per mole of nucleotide (Γ), was investigated using the gas …
Combination is the dominant free radical process initiated in DNA by ionizing radiation: An overview based on solid-state EPR studies
WA Bernhard, N Mroczka, J Barnes - International journal of …, 1994 - Taylor & Francis
An overview of the early processes initiated in DNA by ionizing radiation is given from the
perspective of studies done by solid-state EPR with the focus on radical combination …
perspective of studies done by solid-state EPR with the focus on radical combination …
Comparison of experimental and calculated hyperfine coupling constants. Which radicals are formed in irradiated guanine?
SD Wetmore, RJ Boyd, LA Eriksson - The Journal of Physical …, 1998 - ACS Publications
The geometries, spin density distributions, and hyperfine coupling constants (HFCC) in
possible radiation products of guanine are studied through the use of density functional …
possible radiation products of guanine are studied through the use of density functional …
DNA damage by the direct effect of ionizing radiation: products produced by two sequential one-electron oxidations
DM Close, WH Nelson… - The Journal of Physical …, 2013 - ACS Publications
It has long been assumed that the population of radicals trapped in irradiated DNA (that is,
the radicals escaping recombination) would quantitatively account for the lesions observed …
the radicals escaping recombination) would quantitatively account for the lesions observed …
Irradiated guanine: A Car-Parrinello molecular dynamics study of dehydrogenation in the presence of an OH radical
CJ Mundy, ME Colvin, AA Quong - The Journal of Physical …, 2002 - ACS Publications
Understanding the basic chemistry of the interaction of radicals with DNA bases is
imperative when trying to elucidate the potential effects of radiation on DNA. Experimental …
imperative when trying to elucidate the potential effects of radiation on DNA. Experimental …
Real-time mechanical characterization of DNA degradation under therapeutic X-rays and its theoretical modeling
The killing of tumor cells by ionizing radiation beams in cancer radiotherapy is currently
based on a rather empirical understanding of the basic mechanisms and effectiveness of …
based on a rather empirical understanding of the basic mechanisms and effectiveness of …
DNA responds to ionizing radiation as an insulator, not as a “molecular wire”
MG Debije, MT Milano… - Angewandte Chemie …, 1999 - Wiley Online Library
The yields of radicals trapped on DNA, measured by EPR spectroscopy of
oligodeoxyribonucleotide crystals (the EPR spectrum of a single crystal of d (CCCTAGGG) is …
oligodeoxyribonucleotide crystals (the EPR spectrum of a single crystal of d (CCCTAGGG) is …