Interplay of electronic, environmental, and vibrational effects in determining the hyperfine coupling constants of organic free radicals

R Improta, V Barone - Chemical reviews, 2004 - ACS Publications
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 …

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 …

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 …

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 …

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 …

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 …

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 …

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 …

Real-time mechanical characterization of DNA degradation under therapeutic X-rays and its theoretical modeling

G Perret, T Lacornerie, F Manca, S Giordano… - Microsystems & …, 2016 - nature.com
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 …

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 …